The 100-protein NMR spectra dataset: A resource for biomolecular NMR data analysis

Piotr Klukowski1, Fred F. Damberger2, Frédéric H.-T. Allain2, Hideo Iwai3, Harindranath Kadavath1, Theresa A. Ramelot4, Gaetano T. Montelione4, Roland Riek1, Peter Güntert1,5,6

1 Institute of Molecular Physical Science, ETH Zurich, 8093 Zurich, Switzerland
2 Institute of Biochemistry, ETH Zurich, 8093 Zurich, Switzerland
3 Institute of Biotechnology, University of Helsinki, 00100 Helsinki, Finland
4 Department of Chemistry and Chemical Biology, and Center for Biotechnology and Interdisciplinary Sciences, Rensselaer Polytechnic Institute, Troy, NY, 12180, USA
5 Institute of Biophysical Chemistry, Goethe University, 60438 Frankfurt am Main, Germany
6 Department of Chemistry, Tokyo Metropolitan University, Hachioji, 192-0397 Tokyo, Japan

NMR data from the ARTINA dataset includes 1329 spectra (2D-4D) across 100 proteins. Each protein's data can be downloaded as a single zip file from the links stored in the table below. Three file format variants are available: Sparky, NMRPipe, and XEASY. To download all 100 protein datasets, you can use one of our download scripts (download_sparky.sh, download_pipe.sh, download_xeasy.sh, download_sparky.bat, download_pipe.bat, download_xeasy.bat). The dataset is available under the Creative Commons Attribution 4.0 International (CC BY) license.

16SVC (6 spectra, 35 residues)
Sparky, NMRPipe, XEASY
212LML (15 spectra, 86 residues)
Sparky, NMRPipe, XEASY
412KPN (14 spectra, 103 residues)
Sparky, NMRPipe, XEASY
612KL6 (16 spectra, 114 residues)
Sparky, NMRPipe, XEASY
812KKZ (15 spectra, 140 residues)
Sparky, NMRPipe, XEASY
22JVD (11 spectra, 54 residues)
Sparky, NMRPipe, XEASY
222K3D (12 spectra, 87 residues)
Sparky, NMRPipe, XEASY
422K0M (14 spectra, 104 residues)
Sparky, NMRPipe, XEASY
626GT7 (11 spectra, 115 residues)
Sparky, NMRPipe, XEASY
821VDY (17 spectra, 140 residues)
Sparky, NMRPipe, XEASY
32K57 (14 spectra, 55 residues)
Sparky, NMRPipe, XEASY
232LK2 (17 spectra, 89 residues)
Sparky, NMRPipe, XEASY
432K5V (15 spectra, 104 residues)
Sparky, NMRPipe, XEASY
632JN8 (18 spectra, 115 residues)
Sparky, NMRPipe, XEASY
832KKL (18 spectra, 140 residues)
Sparky, NMRPipe, XEASY
46SOW (10 spectra, 58 residues)
Sparky, NMRPipe, XEASY
24MH04 (12 spectra, 90 residues)
Sparky, NMRPipe, XEASY
442MQL (9 spectra, 105 residues)
Sparky, NMRPipe, XEASY
642K5D (14 spectra, 116 residues)
Sparky, NMRPipe, XEASY
842N4B (15 spectra, 142 residues)
Sparky, NMRPipe, XEASY
52LX7 (18 spectra, 60 residues)
Sparky, NMRPipe, XEASY
251PQX (12 spectra, 91 residues)
Sparky, NMRPipe, XEASY
452K75 (15 spectra, 106 residues)
Sparky, NMRPipe, XEASY
652KD1 (13 spectra, 118 residues)
Sparky, NMRPipe, XEASY
852L8V (15 spectra, 143 residues)
Sparky, NMRPipe, XEASY
62MA6 (16 spectra, 61 residues)
Sparky, NMRPipe, XEASY
262L33 (10 spectra, 91 residues)
Sparky, NMRPipe, XEASY
462LTM (11 spectra, 107 residues)
Sparky, NMRPipe, XEASY
662LTL (10 spectra, 119 residues)
Sparky, NMRPipe, XEASY
862LGH (17 spectra, 144 residues)
Sparky, NMRPipe, XEASY
72JRM (12 spectra, 65 residues)
Sparky, NMRPipe, XEASY
272KZV (17 spectra, 92 residues)
Sparky, NMRPipe, XEASY
472KOB (16 spectra, 108 residues)
Sparky, NMRPipe, XEASY
672KVO (18 spectra, 120 residues)
Sparky, NMRPipe, XEASY
872K1S (16 spectra, 149 residues)
Sparky, NMRPipe, XEASY
81YEZ (16 spectra, 68 residues)
Sparky, NMRPipe, XEASY
282KCT (15 spectra, 94 residues)
Sparky, NMRPipe, XEASY
482KHD (17 spectra, 108 residues)
Sparky, NMRPipe, XEASY
681T0Y (14 spectra, 120 residues)
Sparky, NMRPipe, XEASY
882M4F (16 spectra, 151 residues)
Sparky, NMRPipe, XEASY
92L9R (9 spectra, 69 residues)
Sparky, NMRPipe, XEASY
292MDR (10 spectra, 94 residues)
Sparky, NMRPipe, XEASY
492RN7 (12 spectra, 108 residues)
Sparky, NMRPipe, XEASY
692KCD (19 spectra, 120 residues)
Sparky, NMRPipe, XEASY
892JXP (17 spectra, 155 residues)
Sparky, NMRPipe, XEASY
102K52 (14 spectra, 74 residues)
Sparky, NMRPipe, XEASY
302FB7 (11 spectra, 95 residues)
Sparky, NMRPipe, XEASY
502LXU (14 spectra, 108 residues)
Sparky, NMRPipe, XEASY
702KRT (15 spectra, 121 residues)
Sparky, NMRPipe, XEASY
902L06 (15 spectra, 155 residues)
Sparky, NMRPipe, XEASY
112KRS (16 spectra, 74 residues)
Sparky, NMRPipe, XEASY
312MB0 (8 spectra, 95 residues)
Sparky, NMRPipe, XEASY
512KIF (5 spectra, 108 residues)
Sparky, NMRPipe, XEASY
712LFI (13 spectra, 122 residues)
Sparky, NMRPipe, XEASY
912LAH (10 spectra, 160 residues)
Sparky, NMRPipe, XEASY
122K53 (11 spectra, 76 residues)
Sparky, NMRPipe, XEASY
322L05 (13 spectra, 95 residues)
Sparky, NMRPipe, XEASY
522KBN (15 spectra, 109 residues)
Sparky, NMRPipe, XEASY
722JQN (11 spectra, 122 residues)
Sparky, NMRPipe, XEASY
922LAK (17 spectra, 160 residues)
Sparky, NMRPipe, XEASY
132JT1 (10 spectra, 77 residues)
Sparky, NMRPipe, XEASY
332KJR (12 spectra, 95 residues)
Sparky, NMRPipe, XEASY
532MK2 (14 spectra, 109 residues)
Sparky, NMRPipe, XEASY
732L7Q (13 spectra, 124 residues)
Sparky, NMRPipe, XEASY
932L82 (9 spectra, 162 residues)
Sparky, NMRPipe, XEASY
142JVO (10 spectra, 77 residues)
Sparky, NMRPipe, XEASY
342M5O (9 spectra, 97 residues)
Sparky, NMRPipe, XEASY
542K50 (14 spectra, 110 residues)
Sparky, NMRPipe, XEASY
742KFP (17 spectra, 125 residues)
Sparky, NMRPipe, XEASY
942M47 (17 spectra, 163 residues)
Sparky, NMRPipe, XEASY
152ERR (7 spectra, 81 residues)
Sparky, NMRPipe, XEASY
35MDM2 (7 spectra, 97 residues)
Sparky, NMRPipe, XEASY
552KL5 (8 spectra, 110 residues)
Sparky, NMRPipe, XEASY
751SE9 (12 spectra, 126 residues)
Sparky, NMRPipe, XEASY
952K3A (17 spectra, 163 residues)
Sparky, NMRPipe, XEASY
162L1P (9 spectra, 83 residues)
Sparky, NMRPipe, XEASY
362LNA (17 spectra, 99 residues)
Sparky, NMRPipe, XEASY
562LTA (10 spectra, 110 residues)
Sparky, NMRPipe, XEASY
762L3G (11 spectra, 126 residues)
Sparky, NMRPipe, XEASY
962M7U (11 spectra, 165 residues)
Sparky, NMRPipe, XEASY
172LN3 (11 spectra, 83 residues)
Sparky, NMRPipe, XEASY
372LA6 (10 spectra, 99 residues)
Sparky, NMRPipe, XEASY
572KIW (18 spectra, 111 residues)
Sparky, NMRPipe, XEASY
772L3B (15 spectra, 130 residues)
Sparky, NMRPipe, XEASY
972B3W (20 spectra, 168 residues)
Sparky, NMRPipe, XEASY
182HEQ (13 spectra, 84 residues)
Sparky, NMRPipe, XEASY
386FIP (13 spectra, 99 residues)
Sparky, NMRPipe, XEASY
582LVB (8 spectra, 112 residues)
Sparky, NMRPipe, XEASY
782LRH (11 spectra, 134 residues)
Sparky, NMRPipe, XEASY
98KRAS4B (14 spectra, 169 residues)
Sparky, NMRPipe, XEASY
192KK8 (12 spectra, 84 residues)
Sparky, NMRPipe, XEASY
392LEA (10 spectra, 100 residues)
Sparky, NMRPipe, XEASY
592LND (11 spectra, 112 residues)
Sparky, NMRPipe, XEASY
791VEE (16 spectra, 134 residues)
Sparky, NMRPipe, XEASY
992G0Q (12 spectra, 173 residues)
Sparky, NMRPipe, XEASY
202KD0 (13 spectra, 85 residues)
Sparky, NMRPipe, XEASY
402LL8 (15 spectra, 101 residues)
Sparky, NMRPipe, XEASY
601WQU (16 spectra, 114 residues)
Sparky, NMRPipe, XEASY
802K1G (17 spectra, 136 residues)
Sparky, NMRPipe, XEASY
1002LF2 (18 spectra, 175 residues)
Sparky, NMRPipe, XEASY

6SVC (35 residues, PDB, BMRB, 2019)

Reference:
Strotz, D., Orts, J., Kadavath, H., Friedmann, M., Ghosh, D., Olsson, S., Chi, C.N., Pokharna, A., Guntert, P., Vogeli, B., Riek, R. (2020). Protein Allostery at Atomic Resolution. Angew Chem Int Ed Engl 59: 22132-22139

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×632×474C: 33.377 – 62.961
HC: -1.006 – 7.795
H: -0.996 – 11.000
700 151.07 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1713
sparky, xeasy
1411
sparky, xeasy
82.37
2 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 97.705 – 133.424
C: 25.235 – 71.056
HN: 4.952 – 11.429
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
121
sparky, xeasy
108
sparky, xeasy
89.26
3 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 97.702 – 135.566
C: 38.575 – 70.462
HN: 4.978 – 12.963
900 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
63
sparky, xeasy
55
sparky, xeasy
87.30
4 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×362×474N: 97.237 – 136.081
HN: 5.968 – 11.004
H: -0.996 – 11.000
700 84.60 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
616
sparky, xeasy
400
sparky, xeasy
64.94
5 NOESY
ucsf, pipe, .3D.16, .3D.param
2048×1917H1: -1.985 – 11.906
H2: -1.510 – 11.492
900 15.21 H1–H2: spectrum, spectrum with peaks 2368
sparky, xeasy
1914
sparky, xeasy
80.83
6 TOCSY
ucsf, pipe, .3D.16, .3D.param
1024×1917H1: -1.981 – 11.902
H2: -1.520 – 11.482
900 7.90 H1–H2: spectrum, spectrum with peaks 1392
sparky, xeasy
1149
sparky, xeasy
82.54

2JVD (54 residues, PDB, BMRB, 2007)

Reference:
Aramini, J.M., Sharma, S., Huang, Y.J., Swapna, G.V., Ho, C.K., Shetty, K., Cunningham, K., Ma, L.C., Zhao, L., Owens, L.A., Jiang, M., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T. (2008). Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis. Proteins 72: 526-530

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 4.538 – 70.787
H: -1.846 – 4.817
600 4.00 C–H: spectrum, spectrum with peaks 258
sparky, xeasy
238
sparky, xeasy
92.25
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
512×652×373C: 19.890 – 89.749
HC: 0.469 – 7.463
H: 0.185 – 9.634
800 502.18 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3331
sparky, xeasy
3181
sparky, xeasy
95.50
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.705 – 127.611
C: 4.359 – 79.285
HN: 4.795 – 10.284
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
210
sparky, xeasy
180
sparky, xeasy
85.71
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.705 – 127.611
C: 4.415 – 79.228
HN: 4.795 – 10.284
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
124
sparky, xeasy
110
sparky, xeasy
88.71
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×441C1: 29.844 – 53.747
C2: 4.415 – 79.228
H1: -0.004 – 5.989
800 221.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
956
sparky, xeasy
918
sparky, xeasy
96.03
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.705 – 127.611
HN: 4.802 – 10.292
H: 1.049 – 6.040
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
144
sparky, xeasy
123
sparky, xeasy
85.42
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×559C: 29.844 – 53.747
HC: 0.295 – 6.283
H: 0.002 – 5.997
800 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
998
sparky, xeasy
942
sparky, xeasy
94.39
8 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.705 – 127.611
C: 168.771 – 188.728
HN: 4.789 – 10.279
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
63
sparky, xeasy
56
sparky, xeasy
88.89
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.705 – 127.611
C: 168.790 – 188.747
HN: 4.795 – 10.285
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
107
sparky, xeasy
92
sparky, xeasy
85.98
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 80.164 – 140.114
H: 4.788 – 11.755
800 4.00 N–H: spectrum, spectrum with peaks 92
sparky, xeasy
57
sparky, xeasy
61.96
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
512×316×373N: 104.212 – 134.950
HN: 5.943 – 9.327
H: 0.185 – 9.634
800 251.09 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1109
sparky, xeasy
899
sparky, xeasy
81.06

2K57 (55 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Aramini, J.A., Hang, D., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR Structure of Putative Lipoprotein from Pseudomonas syringae Gene Locus PSPTO2350. Northeast Structural Genomics Target PsR76A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 5.252 – 80.137
H: -2.178 – 11.756
800 4.00 C–H: spectrum, spectrum with peaks 256
sparky, xeasy
250
sparky, xeasy
97.66
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 112.780 – 142.759
H: -2.179 – 11.755
800 4.00 C–H: spectrum, spectrum with peaks 18
sparky, xeasy
18
sparky, xeasy
100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×544×440C: 20.021 – 89.744
HC: -1.355 – 6.041
H: -1.003 – 10.996
800 234.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5829
sparky, xeasy
5585
sparky, xeasy
95.81
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.220 – 134.106
C: 4.398 – 79.324
HN: 4.802 – 11.763
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
204
sparky, xeasy
198
sparky, xeasy
97.06
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.220 – 134.106
C: 4.266 – 79.192
HN: 4.824 – 11.784
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
125
sparky, xeasy
119
sparky, xeasy
95.20
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×551C1: 29.764 – 53.714
C2: 4.469 – 79.135
H1: -0.996 – 6.495
800 280.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
933
sparky, xeasy
917
sparky, xeasy
98.29
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 101.697 – 134.478
C: 15.528 – 81.711
HN: 4.792 – 11.773
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
200
sparky, xeasy
193
sparky, xeasy
96.50
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.220 – 134.106
HN: 4.794 – 11.754
H: 1.039 – 6.030
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
140
sparky, xeasy
137
sparky, xeasy
97.86
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×550C: 25.645 – 49.556
HC: -0.211 – 9.774
H: -0.999 – 6.501
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
962
sparky, xeasy
940
sparky, xeasy
97.71
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×550C: 25.588 – 49.499
HC: -0.204 – 9.781
H: -1.000 – 6.500
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1408
sparky, xeasy
1382
sparky, xeasy
98.15
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.220 – 134.106
C: 168.797 – 188.754
HN: 4.802 – 11.762
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
64
sparky, xeasy
53
sparky, xeasy
82.81
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.255 – 134.142
C: 168.785 – 188.742
HN: 4.793 – 11.753
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
105
sparky, xeasy
102
sparky, xeasy
97.14
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048N: 80.159 – 140.109
H: -2.183 – 11.757
800 8.00 N–H: spectrum, spectrum with peaks 85
sparky, xeasy
64
sparky, xeasy
75.29
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×474×440N: 104.311 – 135.019
HN: 5.320 – 11.763
H: -1.003 – 10.996
800 207.19 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1794
sparky, xeasy
1541
sparky, xeasy
85.90

6SOW (58 residues, PDB, BMRB, 2019)

Reference:
Heikkinen, H.A., Backlund, S.M., Iwai, H. (2021). NMR Structure Determinations of Small Proteins Using only One Fractionally 20% 13 C- and Uniformly 100% 15 N-Labeled Sample. Molecules 26

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
962×999C: 3.227 – 81.039
H: -0.064 – 5.308
850 4.00 C–H: spectrum, spectrum with peaks 297
sparky, xeasy
284
sparky, xeasy
95.62
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×526×860C: 11.118 – 68.686
HC: -0.044 – 5.608
H: 0.161 – 9.415
850 229.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4070
sparky, xeasy
3931
sparky, xeasy
96.58
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×455×875C: 111.997 – 141.775
HC: 5.946 – 8.390
H: -0.319 – 9.096
850 224.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
238
sparky, xeasy
130
sparky, xeasy
54.62
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 105.208 – 130.999
C: 5.873 – 85.636
HN: 4.694 – 9.933
850 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
216
sparky, xeasy
206
sparky, xeasy
95.37
5 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×1024C: 3.148 – 70.589
HC: -2.754 – 7.167
H: -0.325 – 9.665
850 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1070
sparky, xeasy
1061
sparky, xeasy
99.16
6 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 105.096 – 130.989
C: 40.900 – 70.798
HN: 4.695 – 9.940
850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
109
sparky, xeasy
104
sparky, xeasy
95.41
7 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 105.157 – 131.049
C: 168.905 – 182.850
HN: 4.691 – 9.935
850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
76
sparky, xeasy
74
sparky, xeasy
97.37
8 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 105.086 – 130.978
C: 168.920 – 182.865
HN: 4.687 – 9.932
850 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
109
sparky, xeasy
104
sparky, xeasy
95.41
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 105.023 – 134.993
H: 4.689 – 10.196
850 4.00 N–H: spectrum, spectrum with peaks 90
sparky, xeasy
74
sparky, xeasy
82.22
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×1024N: 105.189 – 130.980
HN: 4.691 – 10.198
H: -0.810 – 10.169
850 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1382
sparky, xeasy
1224
sparky, xeasy
88.57

2LX7 (60 residues, PDB, BMRB, 2012)

Reference:
Yang, Y., Ramelot, T.A., Dan, L., Kohan, E., Janjua, H., Xiao, R., Acton, T., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of SH3 domain of growth arrest-specific protein 7 (GAS7) (fragment 1-60) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8574A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×440C: 3.466 – 88.300
H: -1.191 – 6.496
850 0.86 C–H: spectrum, spectrum with peaks 252
sparky, xeasy
251
sparky, xeasy
99.60
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 110.082 – 139.965
H: 5.498 – 9.498
850 0.33 C–H: spectrum, spectrum with peaks 40
sparky, xeasy
40
sparky, xeasy
100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×430×256C: 13.258 – 79.000
HC: -1.507 – 6.006
H: -1.173 – 10.780
850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3519
sparky, xeasy
3354
sparky, xeasy
95.31
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×274×256C: 111.532 – 141.302
HC: 5.498 – 9.498
H: -1.189 – 10.768
850 36.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
353
sparky, xeasy
345
sparky, xeasy
97.73
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×439N: 105.081 – 131.374
C: 16.808 – 81.300
HN: 4.999 – 10.999
600 28.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
206
sparky, xeasy
201
sparky, xeasy
97.57
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×439N: 105.081 – 131.374
C: 9.808 – 74.300
HN: 5.003 – 11.003
600 28.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
114
sparky, xeasy
113
sparky, xeasy
99.12
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×398C1: 0.352 – 70.086
C2: 0.356 – 70.082
H1: -1.014 – 5.973
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
851
sparky, xeasy
850
sparky, xeasy
99.88
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
1694
sparky, xeasy
1685
sparky, xeasy
99.47
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×370N: 104.957 – 131.250
C: 11.547 – 81.000
HN: 5.497 – 11.993
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
176
sparky, xeasy
175
sparky, xeasy
99.43
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×371×128N: 104.957 – 131.250
HN: 5.495 – 11.993
H: 0.561 – 6.514
600 24.44 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
150
sparky, xeasy
148
sparky, xeasy
98.67
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×542C: 7.630 – 77.354
HC: -0.470 – 6.475
H: -1.999 – 7.502
600 70.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
904
sparky, xeasy
903
sparky, xeasy
99.89
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×541C: 7.380 – 77.114
HC: -0.497 – 6.475
H: -2.008 – 7.498
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1264
sparky, xeasy
1263
sparky, xeasy
99.92
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×371N: 104.957 – 131.250
H: -0.697 – 6.276
HN: 5.490 – 11.988
600 48.88 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
265
sparky, xeasy
263
sparky, xeasy
99.25
14 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 104.957 – 131.250
C: 41.234 – 71.000
HN: 5.993 – 11.003
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
113
sparky, xeasy
110
sparky, xeasy
97.35
15 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×399N: 104.957 – 131.250
C: 167.115 – 180.927
HN: 4.986 – 11.993
600 25.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
62
sparky, xeasy
54
sparky, xeasy
87.10
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×370N: 104.957 – 131.250
C: 41.234 – 71.000
HN: 5.496 – 11.991
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
56
sparky, xeasy
55
sparky, xeasy
98.21
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×342N: 103.029 – 133.000
H: 5.008 – 10.997
600 1.48 N–H: spectrum, spectrum with peaks 93
sparky, xeasy
65
sparky, xeasy
69.89
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×343×512N: 104.954 – 131.350
HN: 5.013 – 11.002
H: -1.197 – 10.780
850 175.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1295
sparky, xeasy
1015
sparky, xeasy
78.38

2MA6 (61 residues, PDB, BMRB, 2013)

Reference:
Ramelot, T.A., Yang, Y., Janjua, H., Kohan, E., Wang, H., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR Structure of the RING finger domain from the Kip1 ubiquitination-promoting E3 complex protein 1 (KPC1/RNF123) from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8700A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×431C: 7.721 – 77.683
H: -0.486 – 5.814
850 1.86 C–H: spectrum, spectrum with peaks 263
sparky, xeasy
258
sparky, xeasy
98.10
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×206C: 110.031 – 139.918
H: 6.001 – 9.004
850 0.25 C–H: spectrum, spectrum with peaks 32
sparky, xeasy
32
sparky, xeasy
100.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×431×256C: 9.087 – 70.563
HC: -0.491 – 5.810
H: -1.668 – 11.279
850 55.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4583
sparky, xeasy
4466
sparky, xeasy
97.45
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×206×256C: 111.681 – 141.216
HC: 6.001 – 9.004
H: -0.911 – 10.543
850 14.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
484
sparky, xeasy
474
sparky, xeasy
97.93
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×302N: 109.156 – 129.992
C: 13.831 – 78.324
HN: 5.695 – 10.993
600 19.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
223
sparky, xeasy
217
sparky, xeasy
97.31
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×302N: 102.758 – 136.491
C: 13.984 – 78.476
HN: 5.695 – 10.993
600 19.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
131
sparky, xeasy
129
sparky, xeasy
98.47
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×359C1: 5.159 – 74.893
C2: 5.162 – 74.889
H1: -0.512 – 5.789
600 93.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
892
sparky, xeasy
884
sparky, xeasy
99.10
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.695 – 9.628
H2: -0.484 – 6.459
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
2213
sparky, xeasy
2186
sparky, xeasy
98.78
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×419N: 109.231 – 130.077
C: 7.196 – 76.679
HN: 5.709 – 11.005
850 27.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
191
sparky, xeasy
189
sparky, xeasy
98.95
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 109.157 – 129.993
HN: 5.692 – 11.003
H: -0.189 – 5.764
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
154
sparky, xeasy
151
sparky, xeasy
98.05
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×553C: 9.270 – 79.163
HC: -0.444 – 6.531
H: -0.998 – 5.996
850 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
961
sparky, xeasy
950
sparky, xeasy
98.86
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512C: 11.077 – 74.577
HC: -0.399 – 6.546
H: -1.000 – 5.999
600 32.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1357
sparky, xeasy
1346
sparky, xeasy
99.19
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×419N: 109.151 – 130.067
H: -0.449 – 6.526
HN: 5.705 – 11.001
850 110.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
281
sparky, xeasy
278
sparky, xeasy
98.93
14 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×302N: 102.626 – 136.493
C: 167.119 – 180.931
HN: 5.690 – 10.989
600 38.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
66
sparky, xeasy
65
sparky, xeasy
98.48
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
2048×419N: 109.052 – 130.043
H: 5.713 – 11.009
850 3.45 N–H: spectrum, spectrum with peaks 77
sparky, xeasy
66
sparky, xeasy
85.71
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×363×512N: 109.235 – 130.073
HN: 5.712 – 11.016
H: -1.686 – 11.287
850 93.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1409
sparky, xeasy
1313
sparky, xeasy
93.19

2JRM (65 residues, PDB, BMRB, 2007)

Reference:
Tang, Y., Rossi, P., Swapna, G., Wang, H., Jiang, M., Cunningham, K., Owens, L., Ma, L., Xiao, R., Liu, J., Baran, M.C., Acton, T.B., Rost, B., Montelione, G.T. Solution NMR Structure of Ribosome Modulation Factor VP1593 from Vibrio parahaemolyticus. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 5.445 – 80.257
H: -2.136 – 11.805
800 4.00 C–H: spectrum, spectrum with peaks 291
sparky, xeasy
268
sparky, xeasy
92.10
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×460×256C: 33.898 – 57.708
HC: -1.062 – 5.189
H: -0.911 – 10.541
800 61.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4854
sparky, xeasy
4534
sparky, xeasy
93.41
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×1024×256C: 116.199 – 139.820
HC: -2.166 – 11.768
H: -0.898 – 10.554
800 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
466
sparky, xeasy
438
sparky, xeasy
93.99
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 104.265 – 132.108
C: 4.498 – 79.166
HN: 4.819 – 10.799
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
242
sparky, xeasy
218
sparky, xeasy
90.08
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 104.265 – 132.108
C: 4.586 – 79.254
HN: 4.821 – 10.801
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
152
sparky, xeasy
141
sparky, xeasy
92.76
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×2048C1: 29.839 – 53.745
C2: 4.586 – 79.254
H1: -1.166 – 10.799
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
988
sparky, xeasy
937
sparky, xeasy
94.84
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 104.298 – 132.140
C: 4.586 – 79.254
HN: 4.821 – 10.801
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
228
sparky, xeasy
216
sparky, xeasy
94.74
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×1024×256N: 104.265 – 132.108
HN: 4.818 – 10.797
H: 0.337 – 6.314
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
177
sparky, xeasy
160
sparky, xeasy
90.40
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×2048C: 29.839 – 53.745
HC: -1.155 – 6.814
H: -1.166 – 10.799
600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1585
sparky, xeasy
1506
sparky, xeasy
95.02
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 104.298 – 132.140
C: 168.913 – 188.713
HN: 4.819 – 10.799
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
79
sparky, xeasy
58
sparky, xeasy
73.42
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 105.214 – 127.129
H: 4.857 – 11.824
800 1.00 N–H: spectrum, spectrum with peaks 133
sparky, xeasy
79
sparky, xeasy
59.40
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×956×256N: 105.300 – 127.129
HN: 4.956 – 11.460
H: -0.876 – 10.576
800 125.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2124
sparky, xeasy
1675
sparky, xeasy
78.86

1YEZ (68 residues, PDB, BMRB, 2004)

Reference:
Rossi, P., Aramini, J.M., Swapna, G.V.T., Huang, Y.P., Xiao, R., Ho, C.K., Ma, L.C., Acton, T.B., Montelione, G.T.. Solution structure of the conserved protein from the gene locus MM1357 of Methanosarcina mazei. Northeast Structural Genomics target MaR30. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: -3.012 – 76.478
H: -1.405 – 11.087
600 4.00 C–H: spectrum, spectrum with peaks 306
sparky, xeasy
299
sparky, xeasy
97.71
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×533×512C: 0.834 – 80.685
HC: -0.482 – 6.021
H: -1.400 – 11.096
600 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3866
sparky, xeasy
3663
sparky, xeasy
94.75
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×130×412C: 114.879 – 144.146
HC: 6.139 – 7.716
H: -0.449 – 9.601
600 117.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
246
sparky, xeasy
211
sparky, xeasy
85.77
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.749 – 136.198
C: 4.605 – 79.475
HN: 4.865 – 11.361
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
246
sparky, xeasy
236
sparky, xeasy
95.93
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.748 – 136.198
C: 4.625 – 79.496
HN: 4.881 – 11.377
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
130
sparky, xeasy
126
sparky, xeasy
96.92
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.749 – 136.198
C: 4.681 – 79.552
HN: 4.892 – 11.388
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
212
sparky, xeasy
207
sparky, xeasy
97.64
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.706 – 136.155
HN: 4.881 – 11.377
H: -1.837 – 7.143
500 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
164
sparky, xeasy
159
sparky, xeasy
96.95
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×533C: -3.147 – 76.705
HC: -1.416 – 11.066
H: -0.504 – 6.000
600 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1116
sparky, xeasy
1087
sparky, xeasy
97.40
9 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×1024C: 100.049 – 152.987
HC: -1.372 – 11.108
H: -1.392 – 11.114
600 1024.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
133
sparky, xeasy
103
sparky, xeasy
77.44
10 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.758 – 136.207
H: -3.334 – 7.641
HN: 4.883 – 11.379
500 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
306
sparky, xeasy
299
sparky, xeasy
97.71
11 HNCA
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.698 – 136.148
C: 41.064 – 73.065
HN: 4.870 – 11.366
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
129
sparky, xeasy
124
sparky, xeasy
96.12
12 HNCO
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.717 – 136.166
C: 164.955 – 184.796
HN: 4.870 – 11.366
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
68
sparky, xeasy
61
sparky, xeasy
89.71
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.704 – 136.154
C: 166.959 – 182.831
HN: 4.880 – 11.376
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
129
sparky, xeasy
122
sparky, xeasy
94.57
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.749 – 136.198
C: 41.075 – 73.076
HN: 4.884 – 11.380
500 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
64
sparky, xeasy
62
sparky, xeasy
96.88
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×512N: 100.239 – 136.365
H: 4.853 – 11.094
600 1.00 N–H: spectrum, spectrum with peaks 102
sparky, xeasy
66
sparky, xeasy
64.71
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.067 – 135.549
HN: 4.870 – 11.116
H: -1.365 – 11.115
600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1327
sparky, xeasy
1025
sparky, xeasy
77.24

2L9R (69 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Xiao, R., Lee, H.-W., Hamilton, K., Ciccosanti, C., Wang, H.B., Acton, T.B., Everett, J.K., Huang, Y.J., Montelione, G.T. Solution NMR Structure of Homeobox domain of Homeobox protein Nkx-3.1 from homo sapiens, Northeast Structural Genomics Consortium Target HR6470A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×464×412C: 20.319 – 89.773
HC: -1.344 – 4.962
H: -0.800 – 10.439
800 97.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4339
sparky, xeasy
3898
sparky, xeasy
89.84
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×264×256C: 113.242 – 142.773
HC: 4.649 – 8.231
H: -1.643 – 11.306
800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
412
sparky, xeasy
332
sparky, xeasy
80.58
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 106.506 – 130.131
C: 4.417 – 79.124
HN: 4.813 – 11.773
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
267
sparky, xeasy
227
sparky, xeasy
85.02
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 106.506 – 130.131
C: 4.417 – 79.124
HN: 4.813 – 11.773
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
161
sparky, xeasy
142
sparky, xeasy
88.20
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 30.145 – 53.770
C2: 4.856 – 79.270
H1: -2.161 – 11.773
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1202
sparky, xeasy
1141
sparky, xeasy
94.93
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 106.506 – 130.131
HN: 4.813 – 11.773
H: -0.417 – 6.556
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
190
sparky, xeasy
161
sparky, xeasy
84.74
7 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 106.506 – 130.131
C: 167.943 – 189.599
HN: 4.813 – 11.773
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
81
sparky, xeasy
57
sparky, xeasy
70.37
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 106.155 – 130.108
H: 4.806 – 11.773
800 2.00 N–H: spectrum, spectrum with peaks 126
sparky, xeasy
72
sparky, xeasy
57.14
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×324×452N: 102.873 – 133.631
HN: 6.011 – 10.411
H: -1.360 – 10.972
800 79.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1547
sparky, xeasy
1090
sparky, xeasy
70.46

2K52 (74 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Structure of uncharacterized protein MJ1198 from Methanocaldococcus jannaschii. Northeast Structural Genomics Target MjR117B. To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024C: 6.412 – 81.265
H: -1.869 – 11.470
600 2.00 C–H: spectrum, spectrum with peaks 394
sparky, xeasy
379
sparky, xeasy
96.19
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1027×403C: 20.375 – 89.828
HC: -0.994 – 5.993
H: -0.982 – 10.010
800 209.18 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5532
sparky, xeasy
5203
sparky, xeasy
94.05
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×221×256C: 113.006 – 142.772
HC: 6.018 – 9.015
H: -0.644 – 10.313
800 27.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
303
sparky, xeasy
216
sparky, xeasy
71.29
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.351 – 132.117
C: 4.895 – 79.325
HN: 4.813 – 11.789
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
268
sparky, xeasy
265
sparky, xeasy
98.88
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.398 – 132.163
C: 4.903 – 79.317
HN: 4.810 – 11.786
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
157
sparky, xeasy
157
sparky, xeasy
100.00
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×514C1: 32.099 – 55.912
C2: 6.261 – 80.968
H1: -1.000 – 6.003
600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1400
sparky, xeasy
1329
sparky, xeasy
94.93
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 103.585 – 133.117
HN: 4.811 – 11.787
H: 0.317 – 6.294
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
185
sparky, xeasy
183
sparky, xeasy
98.92
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×514C: 32.014 – 55.826
HC: -0.338 – 6.112
H: -1.006 – 5.997
600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1391
sparky, xeasy
1326
sparky, xeasy
95.33
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×514C: 31.993 – 55.805
HC: -0.338 – 6.112
H: -1.014 – 5.989
600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2079
sparky, xeasy
1976
sparky, xeasy
95.05
10 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.304 – 133.070
C: 41.053 – 72.865
HN: 4.807 – 11.783
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
139
sparky, xeasy
138
sparky, xeasy
99.28
11 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 104.460 – 134.226
C: 167.889 – 189.801
HN: 4.806 – 11.782
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
81
sparky, xeasy
69
sparky, xeasy
85.19
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.351 – 133.117
C: 41.078 – 72.839
HN: 4.807 – 11.783
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
69
sparky, xeasy
69
sparky, xeasy
100.00
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×512N: 100.769 – 135.632
H: 4.823 – 11.783
800 0.50 N–H: spectrum, spectrum with peaks 122
sparky, xeasy
81
sparky, xeasy
66.39
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×403N: 104.459 – 135.047
HN: 4.812 – 11.779
H: -0.985 – 10.007
800 204.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1710
sparky, xeasy
1343
sparky, xeasy
78.54

2KRS (74 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Maglaqui, M., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of SH3 domain from CPF_0587 (fragment 415-479) from Clostridium perfringens. Northeast Structural Genomics Consortium (NESG) Target CpR74A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
957×371C: 10.144 – 80.163
H: -0.317 – 6.181
600 1.69 C–H: spectrum, spectrum with peaks 310
sparky, xeasy
292
sparky, xeasy
94.19
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×192C: 110.117 – 140.000
H: 5.996 – 8.794
600 0.19 C–H: spectrum, spectrum with peaks 38
sparky, xeasy
26
sparky, xeasy
68.42
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×478×256C: 11.334 – 78.797
HC: -0.495 – 6.494
H: -0.679 – 10.282
850 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5793
sparky, xeasy
5458
sparky, xeasy
94.22
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×192×512C: 110.234 – 140.000
HC: 5.996 – 8.794
H: -0.699 – 10.280
600 48.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
438
sparky, xeasy
350
sparky, xeasy
79.91
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×257N: 101.125 – 133.000
C: 14.008 – 78.500
HN: 5.995 – 10.502
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
273
sparky, xeasy
249
sparky, xeasy
91.21
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×285N: 101.113 – 132.987
C: 13.805 – 78.297
HN: 6.226 – 11.226
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
168
sparky, xeasy
156
sparky, xeasy
92.86
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×383C1: 8.434 – 78.168
C2: 8.260 – 78.123
H1: -0.517 – 6.192
600 192.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1063
sparky, xeasy
1027
sparky, xeasy
96.61
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.617 – 33.987
C2: 13.940 – 33.987
H1: -0.474 – 6.469
H2: -3.685 – 9.638
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
2616
sparky, xeasy
2560
sparky, xeasy
97.86
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×253N: 101.136 – 132.989
C: 9.086 – 83.500
HN: 5.997 – 10.508
600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
246
sparky, xeasy
233
sparky, xeasy
94.72
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×330×128N: 101.261 – 132.988
HN: 6.009 – 10.506
H: 0.341 – 6.294
600 21.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
190
sparky, xeasy
172
sparky, xeasy
90.53
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×513C: 8.354 – 78.084
HC: -0.672 – 6.300
H: -0.480 – 6.519
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1088
sparky, xeasy
1034
sparky, xeasy
95.04
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×392C: 8.272 – 78.002
HC: -0.992 – 6.508
H: -0.490 – 6.509
600 101.60 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1560
sparky, xeasy
1506
sparky, xeasy
96.54
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×253N: 101.136 – 132.989
H: -1.189 – 6.780
HN: 5.997 – 10.508
600 63.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
355
sparky, xeasy
335
sparky, xeasy
94.37
14 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×257N: 101.125 – 133.000
C: 167.475 – 180.629
HN: 5.995 – 10.502
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
88
sparky, xeasy
81
sparky, xeasy
92.05
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×258N: 101.261 – 132.988
C: 41.484 – 71.016
HN: 6.011 – 10.511
600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
72
sparky, xeasy
66
sparky, xeasy
91.67
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×258×256N: 101.323 – 133.077
HN: 6.006 – 10.506
H: -0.679 – 10.282
850 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1934
sparky, xeasy
1586
sparky, xeasy
82.01

2K53 (76 residues, PDB, BMRB, 2008)

Reference:
Swapna, G.V.T., Huang, W., Jiang, M., Foote, E.L., Xiao, R., Nair, R., Everett, J., Acton, T.B., Rost, B., Montelione, G.T. NMR Solution Structure of A3DK08 protein from Clostridium thermocellum: Northeast Structural Genomics Consortium Target CmR9. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478C: 5.144 – 78.855
H: -0.541 – 5.956
800 0.58 C–H: spectrum, spectrum with peaks 337
sparky, xeasy
322
sparky, xeasy
95.55
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×361×357C: 19.949 – 89.812
HC: 0.027 – 4.930
H: 0.052 – 9.787
800 271.69 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4922
sparky, xeasy
4787
sparky, xeasy
97.26
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×148×441C: 113.002 – 142.885
HC: 5.810 – 7.812
H: -0.210 – 10.102
800 70.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
293
sparky, xeasy
272
sparky, xeasy
92.83
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.668 – 134.449
C: 8.817 – 88.515
HN: 4.797 – 11.454
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
284
sparky, xeasy
265
sparky, xeasy
93.31
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×203×267N: 101.706 – 134.487
C: 14.568 – 77.701
HN: 6.530 – 9.995
600 58.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
157
sparky, xeasy
149
sparky, xeasy
94.90
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×462C1: 25.735 – 49.642
C2: -1.874 – 77.393
H1: -0.029 – 5.977
600 119.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1182
sparky, xeasy
1152
sparky, xeasy
97.46
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×288×110N: 101.668 – 134.449
HN: 6.713 – 10.452
H: 0.980 – 5.240
600 31.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
197
sparky, xeasy
185
sparky, xeasy
93.91
8 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
156×93×162C: 115.608 – 135.682
HC: 5.088 – 8.084
H: 6.070 – 7.643
600 11.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
74
sparky, xeasy
59
sparky, xeasy
79.73
9 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
240×146×239N: 103.197 – 133.921
H: 0.120 – 5.787
HN: 6.717 – 9.818
600 37.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
352
sparky, xeasy
340
sparky, xeasy
96.59
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
245×493N: 103.946 – 132.540
H: 6.538 – 9.888
800 0.50 N–H: spectrum, spectrum with peaks 101
sparky, xeasy
77
sparky, xeasy
76.24
11 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
493×259×403N: 103.616 – 133.010
HN: 6.544 – 10.058
H: -0.546 – 10.446
800 209.98 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1457
sparky, xeasy
1331
sparky, xeasy
91.35

2JT1 (77 residues, PDB, BMRB, 2007)

Reference:
Aramini, J.M., Rossi, P., Cort, J.R., Ma, L.C., Xiao, R., Acton, T.B., Montelione, G.T. (2011). Solution NMR structure of the plasmid-encoded fimbriae regulatory protein PefI from Salmonella enterica serovar Typhimurium. Proteins 79: 335-339

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 5.338 – 80.223
H: -2.174 – 11.759
800 4.00 C–H: spectrum, spectrum with peaks 342
sparky, xeasy
317
sparky, xeasy
92.69
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×495×512C: 2.372 – 80.747
HC: -0.921 – 5.807
H: -0.207 – 9.771
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4218
sparky, xeasy
4059
sparky, xeasy
96.23
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.980 – 142.871
HC: 4.789 – 11.749
H: -0.945 – 10.529
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
124
sparky, xeasy
114
sparky, xeasy
91.94
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.749 – 131.640
C: 4.331 – 79.257
HN: 4.795 – 11.756
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
286
sparky, xeasy
252
sparky, xeasy
88.11
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.746 – 131.637
C: 4.324 – 79.249
HN: 4.792 – 11.752
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
166
sparky, xeasy
150
sparky, xeasy
90.36
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.715 – 131.605
HN: 4.796 – 11.756
H: 1.038 – 6.029
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
197
sparky, xeasy
173
sparky, xeasy
87.82
7 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.725 – 131.615
C: 168.783 – 188.741
HN: 4.790 – 11.750
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
86
sparky, xeasy
78
sparky, xeasy
90.70
8 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.715 – 131.605
C: 168.797 – 188.755
HN: 4.795 – 11.755
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
149
sparky, xeasy
132
sparky, xeasy
88.59
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 104.638 – 131.613
H: 4.794 – 11.761
800 4.00 N–H: spectrum, spectrum with peaks 119
sparky, xeasy
81
sparky, xeasy
68.07
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.718 – 131.614
HN: 4.808 – 11.769
H: -0.934 – 10.540
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1389
sparky, xeasy
1171
sparky, xeasy
84.31

2JVO (77 residues, PDB, BMRB, 2007)

Reference:
Skrisovska, L., Allain, F.H. (2008). Improved segmental isotope labeling methods for the NMR study of multidomain or large proteins: application to the RRMs of Npl3p and hnRNP L. J Mol Biol 375: 151-164

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
415×1020C: 6.534 – 71.217
H: -0.458 – 6.509
500 1.63 C–H: spectrum, spectrum with peaks 350
sparky, xeasy
310
sparky, xeasy
88.57
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
173×298C: 110.215 – 137.087
H: 6.085 – 8.116
500 0.28 C–H: spectrum, spectrum with peaks 46
sparky, xeasy
22
sparky, xeasy
47.83
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×993×433C: 0.904 – 80.600
HC: -0.496 – 6.305
H: -0.336 – 11.481
900 448.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5293
sparky, xeasy
4705
sparky, xeasy
88.89
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 94.308 – 130.168
C: 11.188 – 72.946
HN: 4.706 – 11.700
500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
276
sparky, xeasy
241
sparky, xeasy
87.32
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×2048C1: 5.990 – 75.708
C2: 6.017 – 75.736
H1: -0.863 – 10.152
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1252
sparky, xeasy
1068
sparky, xeasy
85.30
6 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×302×585C: 5.728 – 71.513
HC: -0.519 – 6.545
H: -0.402 – 6.451
500 180.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1878
sparky, xeasy
1596
sparky, xeasy
84.98
7 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 94.248 – 130.108
C: 40.409 – 72.285
HN: 4.718 – 11.712
500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
141
sparky, xeasy
119
sparky, xeasy
84.40
8 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 94.240 – 130.100
C: 40.908 – 72.783
HN: 4.706 – 11.700
500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
70
sparky, xeasy
59
sparky, xeasy
84.29
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 94.897 – 130.828
H: 4.715 – 11.651
600 2.00 N–H: spectrum, spectrum with peaks 99
sparky, xeasy
79
sparky, xeasy
79.80
10 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1024×512N: 94.378 – 130.095
HN: 4.713 – 11.696
H: -2.258 – 11.714
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1567
sparky, xeasy
1319
sparky, xeasy
84.17

2ERR (81 residues, PDB, BMRB, 2005)

Reference:
Auweter, S.D., Fasan, R., Reymond, L., Underwood, J.G., Black, D.L., Pitsch, S., Allain, F.H. (2006). Molecular basis of RNA recognition by the human alternative splicing factor Fox-1. EMBO J 25: 163-173

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
460×1154C: 5.576 – 73.702
H: -0.402 – 6.337
600 2.34 C–H: spectrum, spectrum with peaks 365
sparky, xeasy
317
sparky, xeasy
86.85
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×609×474C: 7.402 – 76.867
HC: -0.463 – 6.648
H: -0.914 – 10.149
900 150.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5760
sparky, xeasy
4392
sparky, xeasy
76.25
3 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 90.990 – 141.592
C: 15.191 – 74.952
HN: 4.613 – 12.098
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
177
sparky, xeasy
172
sparky, xeasy
97.18
4 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×282×521C: 7.124 – 72.228
HC: -0.783 – 6.625
H: -0.258 – 6.332
600 76.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1963
sparky, xeasy
1493
sparky, xeasy
76.06
5 HNCA
ucsf, pipe, .3D.16, .3D.param
120×128×767N: 101.833 – 133.443
C: 40.756 – 74.489
HN: 6.328 – 11.556
600 45.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
156
sparky, xeasy
151
sparky, xeasy
96.79
6 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 98.779 – 138.700
H: 4.625 – 12.629
600 2.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy
91
sparky, xeasy
63.19
7 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1024×512N: 99.188 – 132.922
HN: 4.606 – 12.610
H: -3.374 – 12.593
750 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1778
sparky, xeasy
1315
sparky, xeasy
73.96

2L1P (83 residues, PDB, BMRB, 2010)

Reference:
Swapna, G.V.T., Montelione, A.F., Shastry, R., Ciccosanti, C., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T. NMR solution structure of the N-terminal domain of DNA-binding protein SATB1 from Homo sapiens: Northeast Structural Genomics Target HR4435B(179-250). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024C: -9.964 – 155.532
H: -1.224 – 10.734
600 4.00 C–H: spectrum, spectrum with peaks 419
sparky, xeasy
361
sparky, xeasy
86.16
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×537×512C: 19.884 – 89.747
HC: -0.859 – 6.442
H: -2.220 – 11.753
800 544.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4754
sparky, xeasy
4166
sparky, xeasy
87.63
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512C: 113.623 – 141.568
HC: 4.764 – 11.724
H: -2.222 – 11.751
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
334
sparky, xeasy
242
sparky, xeasy
72.46
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.331 – 135.198
C: 4.500 – 79.223
HN: 4.770 – 11.746
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
314
sparky, xeasy
274
sparky, xeasy
87.26
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×477C1: 29.820 – 53.727
C2: 4.625 – 79.332
H1: -0.500 – 5.998
600 123.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1259
sparky, xeasy
1153
sparky, xeasy
91.58
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×256N: 100.272 – 136.132
HN: 4.770 – 11.746
H: -1.213 – 6.756
600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
221
sparky, xeasy
192
sparky, xeasy
86.88
7 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.331 – 135.198
C: 167.792 – 189.791
HN: 4.770 – 11.746
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
95
sparky, xeasy
67
sparky, xeasy
70.53
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 102.289 – 134.164
H: 4.760 – 11.727
800 1.00 N–H: spectrum, spectrum with peaks 125
sparky, xeasy
87
sparky, xeasy
69.60
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 100.792 – 131.561
HN: 4.764 – 11.724
H: -2.221 – 11.752
800 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1868
sparky, xeasy
1450
sparky, xeasy
77.62

2LN3 (83 residues, PDB, BMRB, 2011)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.791 – 76.654
H: -2.165 – 11.776
800 4.00 C–H: spectrum, spectrum with peaks 396
sparky, xeasy
375
sparky, xeasy
94.70
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×2048C: 112.890 – 142.656
H: -2.165 – 11.776
800 1.00 C–H: spectrum, spectrum with peaks 32
sparky, xeasy
20
sparky, xeasy
62.50
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×504×412C: 20.046 – 89.499
HC: -0.799 – 6.052
H: -0.800 – 10.439
800 104.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5630
sparky, xeasy
5284
sparky, xeasy
93.85
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×144×256C: 113.242 – 142.773
HC: 6.018 – 7.966
H: -1.643 – 11.306
800 12.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
363
sparky, xeasy
310
sparky, xeasy
85.40
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.569 – 132.131
C: 4.417 – 79.124
HN: 4.813 – 11.773
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
320
sparky, xeasy
288
sparky, xeasy
90.00
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.569 – 132.131
C: 4.417 – 79.124
HN: 4.813 – 11.773
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
191
sparky, xeasy
176
sparky, xeasy
92.15
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 29.958 – 53.583
C2: 4.856 – 79.270
H1: -2.161 – 11.773
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1466
sparky, xeasy
1420
sparky, xeasy
96.86
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 104.569 – 132.131
HN: 4.813 – 11.773
H: -0.417 – 6.556
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
226
sparky, xeasy
203
sparky, xeasy
89.82
9 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 104.569 – 132.131
C: 167.943 – 189.599
HN: 4.813 – 11.773
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
98
sparky, xeasy
73
sparky, xeasy
74.49
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 104.158 – 132.104
H: 4.803 – 11.770
800 2.00 N–H: spectrum, spectrum with peaks 134
sparky, xeasy
93
sparky, xeasy
69.40
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×324×512N: 102.873 – 133.631
HN: 6.011 – 10.411
H: -2.164 – 11.803
800 88.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1791
sparky, xeasy
1420
sparky, xeasy
79.29

2HEQ (84 residues, PDB, BMRB, 2006)

Reference:
Ramelot, T.A., Cort, J.R., Xiao, R., Swapna, G.V.T., Acton, T.B., Montelione, G.T., Kennedy, M.A.. NMR Structure of Bacillus subtilis protein YorP, Northeast Structural Genomics Target SR399. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
854×512C: 5.046 – 80.017
H: -2.001 – 7.003
749 1.86 C–H: spectrum, spectrum with peaks 349
sparky, xeasy
340
sparky, xeasy
97.42
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×512×256C: 31.137 – 54.949
HC: -2.004 – 7.000
H: -1.641 – 11.310
749 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3686
sparky, xeasy
3496
sparky, xeasy
94.85
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×481×256C: 31.177 – 55.084
HC: -2.030 – 6.964
H: -0.191 – 9.770
600 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3686
sparky, xeasy
3496
sparky, xeasy
94.85
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×378N: 106.201 – 130.013
C: 11.514 – 80.967
HN: 5.012 – 12.008
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
298
sparky, xeasy
284
sparky, xeasy
95.30
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×378N: 106.201 – 130.013
C: 11.492 – 80.945
HN: 5.010 – 12.006
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
160
sparky, xeasy
154
sparky, xeasy
96.25
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.614 – 33.990
C2: 13.902 – 33.955
H1: -0.463 – 6.482
H2: -3.672 – 9.656
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
2689
sparky, xeasy
2640
sparky, xeasy
98.18
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×406C: 31.056 – 54.963
HC: -1.023 – 6.478
H: -1.023 – 6.493
600 105.84 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1237
sparky, xeasy
1206
sparky, xeasy
97.49
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×406C: 31.057 – 54.964
HC: -1.020 – 6.480
H: -1.022 – 6.493
600 105.84 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1771
sparky, xeasy
1736
sparky, xeasy
98.02
9 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×378N: 106.212 – 130.024
C: 41.380 – 70.911
HN: 5.010 – 12.006
600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
157
sparky, xeasy
150
sparky, xeasy
95.54
10 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×378N: 106.210 – 130.026
C: 166.291 – 181.957
HN: 5.010 – 12.005
600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
84
sparky, xeasy
75
sparky, xeasy
89.29
11 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×378N: 106.201 – 130.013
C: 41.440 – 70.972
HN: 5.010 – 12.006
600 13.22 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
78
sparky, xeasy
75
sparky, xeasy
96.15
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×444N: 106.009 – 129.962
H: 4.514 – 12.023
749 0.97 N–H: spectrum, spectrum with peaks 112
sparky, xeasy
84
sparky, xeasy
75.00
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×400×512N: 106.087 – 129.993
HN: 4.998 – 12.007
H: -1.669 – 11.306
600 204.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1247
sparky, xeasy
1023
sparky, xeasy
82.04

2KK8 (84 residues, PDB, BMRB, 2009)

Reference:
Mani, R., Gurla, S.V.T., Shastry, R., Ciccosanti, C., Foote, E., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T., Rost, B., Montelione, G.T. NMR Solution Structure of a Putative Uncharacterized Protein obtained from Arabidopsis thaliana: Northeast Structural Genomics Consortium Target AR3449A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×998C: -2.011 – 77.413
H: -0.498 – 5.997
600 2.18 C–H: spectrum, spectrum with peaks 383
sparky, xeasy
340
sparky, xeasy
88.77
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478×512C: 20.092 – 89.818
HC: -0.504 – 5.993
H: -2.123 – 11.849
800 245.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7332
sparky, xeasy
6501
sparky, xeasy
88.67
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×256C: 114.178 – 142.068
HC: 4.862 – 11.822
H: -2.047 – 11.899
800 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
208
sparky, xeasy
105
sparky, xeasy
50.48
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.581 – 134.363
C: 8.819 – 88.517
HN: 4.827 – 11.484
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
320
sparky, xeasy
288
sparky, xeasy
90.00
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 100.048 – 136.107
C: 12.415 – 85.077
HN: 4.844 – 11.488
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
191
sparky, xeasy
176
sparky, xeasy
92.15
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×270C1: 25.753 – 49.661
C2: 1.415 – 74.078
H1: -0.505 – 6.504
600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1391
sparky, xeasy
1264
sparky, xeasy
90.87
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 100.048 – 136.107
C: 12.415 – 85.077
HN: 4.835 – 11.492
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
307
sparky, xeasy
291
sparky, xeasy
94.79
8 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 99.056 – 135.186
H: -0.165 – 9.821
HN: 4.831 – 11.488
600 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
440
sparky, xeasy
399
sparky, xeasy
90.68
9 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 101.680 – 134.462
C: 34.834 – 74.468
HN: 4.845 – 11.818
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
163
sparky, xeasy
146
sparky, xeasy
89.57
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 100.048 – 136.107
C: 168.041 – 185.213
HN: 4.844 – 11.488
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
97
sparky, xeasy
70
sparky, xeasy
72.16
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×512N: 101.277 – 135.144
H: 4.855 – 11.815
800 0.50 N–H: spectrum, spectrum with peaks 125
sparky, xeasy
89
sparky, xeasy
71.20
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×256N: 102.847 – 133.556
HN: 4.855 – 11.815
H: -2.113 – 11.833
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2408
sparky, xeasy
1976
sparky, xeasy
82.06

2KD0 (85 residues, PDB, BMRB, 2008)

Reference:
Swapna, G.V.T., Shastry, R., Foote, E., Ciccosanti, C., Jiang, M., Xiao, R., Nair, R., Everett, J., Huang, Y., Acton, T.B., Rost, B., Montelione, G.T. NMR solution structure of O64736 protein from Arabidopsis thaliana. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×515C: 5.093 – 78.948
H: -0.504 – 6.497
800 1.13 C–H: spectrum, spectrum with peaks 395
sparky, xeasy
364
sparky, xeasy
92.15
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478×512C: 20.256 – 89.982
HC: -0.504 – 5.993
H: -2.123 – 11.849
800 245.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8208
sparky, xeasy
7693
sparky, xeasy
93.73
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×256C: 113.862 – 141.753
HC: 4.863 – 11.823
H: -2.096 – 11.849
800 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
268
sparky, xeasy
178
sparky, xeasy
66.42
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.389 – 133.256
C: 4.689 – 79.412
HN: 4.863 – 11.827
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
307
sparky, xeasy
267
sparky, xeasy
86.97
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.349 – 133.217
C: 4.602 – 79.323
HN: 4.863 – 11.827
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
177
sparky, xeasy
158
sparky, xeasy
89.27
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×508C1: 30.050 – 53.957
C2: 7.171 – 76.898
H1: -0.508 – 6.398
800 131.75 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1482
sparky, xeasy
1419
sparky, xeasy
95.75
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×256N: 99.310 – 133.177
HN: 4.865 – 12.860
H: 0.373 – 6.349
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
215
sparky, xeasy
185
sparky, xeasy
86.05
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×515C: 30.219 – 54.125
HC: -0.373 – 6.599
H: -0.504 – 6.497
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2209
sparky, xeasy
2110
sparky, xeasy
95.52
9 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.323 – 133.190
H: -1.144 – 6.825
HN: 4.851 – 11.826
600 128.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
426
sparky, xeasy
392
sparky, xeasy
92.02
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.270 – 133.137
C: 167.860 – 189.859
HN: 4.863 – 11.823
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
92
sparky, xeasy
70
sparky, xeasy
76.09
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.310 – 133.177
C: 167.860 – 189.859
HN: 4.863 – 11.823
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
161
sparky, xeasy
140
sparky, xeasy
86.96
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×512N: 99.263 – 133.197
H: 4.863 – 11.827
800 1.00 N–H: spectrum, spectrum with peaks 115
sparky, xeasy
82
sparky, xeasy
71.30
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×256N: 100.883 – 131.591
HN: 4.863 – 11.823
H: -2.096 – 11.849
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2326
sparky, xeasy
1907
sparky, xeasy
81.99

2LML (86 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Smola, M.J., Lee, H.W., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Prestegard, J.H., Montelione, G.T., Kennedy, M.A. (2011). Solution structure of 4'-phosphopantetheine - GmACP3 from Geobacter metallireducens: a specialized acyl carrier protein with atypical structural features and a putative role in lipopolysaccharide biosynthesis. Biochemistry 50: 1442-1453

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×359C: 3.250 – 83.094
H: -1.003 – 5.985
600 0.77 C–H: spectrum, spectrum with peaks 387
sparky, xeasy
370
sparky, xeasy
95.61
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×401×256C: 7.074 – 76.800
HC: -0.996 – 6.008
H: -1.004 – 10.650
850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8251
sparky, xeasy
7859
sparky, xeasy
95.25
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×172×256C: 112.733 – 140.305
HC: 6.008 – 9.003
H: -1.036 – 10.682
850 11.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
583
sparky, xeasy
497
sparky, xeasy
85.25
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×258N: 103.234 – 133.000
C: 14.160 – 78.652
HN: 5.985 – 11.002
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
332
sparky, xeasy
308
sparky, xeasy
92.77
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×386N: 103.082 – 132.965
C: 14.008 – 78.500
HN: 5.985 – 13.500
600 51.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
186
sparky, xeasy
174
sparky, xeasy
93.55
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.670 – 9.653
H2: -0.459 – 6.484
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3755
sparky, xeasy
3686
sparky, xeasy
98.16
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.082 – 132.965
C: 14.008 – 78.500
HN: 5.991 – 11.007
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
297
sparky, xeasy
282
sparky, xeasy
94.95
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×315×256N: 102.910 – 133.337
HN: 5.506 – 11.004
H: 0.412 – 6.271
850 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
230
sparky, xeasy
212
sparky, xeasy
92.17
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×401C: 7.348 – 76.799
HC: -1.381 – 5.592
H: -1.012 – 5.993
850 53.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1387
sparky, xeasy
1334
sparky, xeasy
96.18
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×401C: 7.074 – 76.799
HC: -1.438 – 5.534
H: -0.996 – 6.008
850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2079
sparky, xeasy
2016
sparky, xeasy
96.97
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.082 – 132.965
H: -0.669 – 6.277
HN: 5.991 – 11.007
600 34.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
418
sparky, xeasy
396
sparky, xeasy
94.74
12 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.082 – 132.965
C: 165.633 – 182.500
HN: 5.991 – 11.007
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
94
sparky, xeasy
82
sparky, xeasy
87.23
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×386N: 103.082 – 132.965
C: 41.305 – 71.070
HN: 5.991 – 13.506
600 51.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
84
sparky, xeasy
78
sparky, xeasy
92.86
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×308N: 103.193 – 133.076
H: 6.006 – 10.504
850 0.30 N–H: spectrum, spectrum with peaks 125
sparky, xeasy
91
sparky, xeasy
72.80
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×315×256N: 103.240 – 133.077
HN: 4.998 – 10.497
H: -1.036 – 10.682
850 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2627
sparky, xeasy
2209
sparky, xeasy
84.09

2K3D (87 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Zhao, L., Jiang, M., Foote, E.L., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the folded 79 residue fragment of Lin0334 from Listeria innocua. Northeast Structural Genomics Consortium target LkR15. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×240C: 112.841 – 142.782
H: 5.503 – 9.005
850 0.47 C–H: spectrum, spectrum with peaks 66
sparky, xeasy
47
sparky, xeasy
71.21
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478×256C: 6.768 – 81.324
HC: -0.989 – 6.001
H: -0.679 – 10.282
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6753
sparky, xeasy
6387
sparky, xeasy
94.58
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×240×256C: 114.871 – 140.770
HC: 5.503 – 9.005
H: -0.657 – 10.300
850 60.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
695
sparky, xeasy
538
sparky, xeasy
77.41
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×308N: 103.849 – 132.642
C: 10.444 – 79.719
HN: 5.503 – 10.002
850 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
326
sparky, xeasy
298
sparky, xeasy
91.41
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×308N: 103.849 – 132.642
C: 10.662 – 80.210
HN: 5.499 – 9.997
850 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
202
sparky, xeasy
188
sparky, xeasy
93.07
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.660 – 9.663
H2: -0.449 – 6.494
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3131
sparky, xeasy
3070
sparky, xeasy
98.05
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×308×256N: 103.817 – 132.610
HN: 5.499 – 9.997
H: 0.412 – 6.271
850 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
229
sparky, xeasy
211
sparky, xeasy
92.14
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×479C: 7.248 – 76.699
HC: -0.382 – 6.591
H: -0.963 – 6.041
850 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2027
sparky, xeasy
1978
sparky, xeasy
97.58
9 HNCA
ucsf, pipe, .3D.16, .3D.param
64×128×308N: 104.008 – 132.574
C: 41.432 – 71.185
HN: 5.499 – 9.997
850 10.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
167
sparky, xeasy
153
sparky, xeasy
91.62
10 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×274N: 103.817 – 132.610
C: 166.822 – 183.698
HN: 6.002 – 10.002
850 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
103
sparky, xeasy
96
sparky, xeasy
93.20
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×343N: 103.579 – 132.466
H: 4.988 – 11.000
600 0.42 N–H: spectrum, spectrum with peaks 124
sparky, xeasy
98
sparky, xeasy
79.03
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×410×256N: 103.704 – 132.610
HN: 5.503 – 11.496
H: -0.657 – 10.300
850 106.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2291
sparky, xeasy
1969
sparky, xeasy
85.95

2LK2 (89 residues, PDB, BMRB, 2011)

Reference:
Yang, Y., Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of homeobox domain (171-248) of human homeobox protein TGIF1, Northeast Structural Genomics Consortium Target HR4411B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×429C: 3.234 – 88.151
H: -0.994 – 6.501
850 1.86 C–H: spectrum, spectrum with peaks 413
sparky, xeasy
388
sparky, xeasy
93.95
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 108.133 – 142.000
H: 5.498 – 9.498
850 0.33 C–H: spectrum, spectrum with peaks 50
sparky, xeasy
22
sparky, xeasy
44.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×458×256C: 12.974 – 78.845
HC: -1.506 – 6.496
H: -1.173 – 10.780
850 231.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6499
sparky, xeasy
5923
sparky, xeasy
91.14
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274×256C: 111.416 – 141.301
HC: 5.498 – 9.498
H: -1.173 – 10.780
850 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
459
sparky, xeasy
220
sparky, xeasy
47.93
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×343N: 103.113 – 132.000
C: 13.180 – 78.923
HN: 5.500 – 11.506
600 89.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
332
sparky, xeasy
312
sparky, xeasy
93.98
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.113 – 132.000
C: 14.500 – 78.000
HN: 5.500 – 11.998
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
205
sparky, xeasy
195
sparky, xeasy
95.12
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3055
sparky, xeasy
2876
sparky, xeasy
94.14
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×401N: 103.226 – 132.001
C: 9.086 – 83.500
HN: 5.496 – 12.004
600 26.56 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
312
sparky, xeasy
301
sparky, xeasy
96.47
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×371×128N: 103.226 – 132.000
HN: 5.505 – 12.003
H: 0.093 – 7.039
600 24.44 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
236
sparky, xeasy
221
sparky, xeasy
93.64
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×110×462C: 3.313 – 82.999
HC: -0.996 – 6.499
H: -0.991 – 6.510
600 52.99 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1555
sparky, xeasy
1458
sparky, xeasy
93.76
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×462C: 8.190 – 77.920
HC: -1.179 – 6.789
H: -0.986 – 6.514
600 119.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2225
sparky, xeasy
2071
sparky, xeasy
93.08
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×371N: 103.113 – 132.000
H: -0.672 – 6.300
HN: 5.505 – 12.003
600 97.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
471
sparky, xeasy
448
sparky, xeasy
95.12
13 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.113 – 132.000
C: 41.164 – 70.930
HN: 5.505 – 12.003
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
159
sparky, xeasy
94.08
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×371N: 103.226 – 132.000
C: 168.218 – 183.968
HN: 5.495 – 11.993
600 12.94 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
104
sparky, xeasy
100
sparky, xeasy
96.15
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.113 – 132.000
C: 41.094 – 70.859
HN: 5.505 – 12.003
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
84
sparky, xeasy
79
sparky, xeasy
94.05
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×445N: 103.038 – 133.009
H: 5.498 – 12.002
600 1.93 N–H: spectrum, spectrum with peaks 161
sparky, xeasy
108
sparky, xeasy
67.08
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×287×256N: 103.295 – 132.068
HN: 5.498 – 10.506
H: -0.677 – 10.280
850 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2445
sparky, xeasy
1885
sparky, xeasy
77.10

MH04 (90 residues, PDB)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×1024C: 6.306 – 84.411
H: -1.907 – 11.421
600 2.00 C–H: spectrum, spectrum with peaks 411
sparky, xeasy
352
sparky, xeasy
85.64
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×2048×512C: 6.223 – 80.214
HC: -2.133 – 11.614
H: -2.119 – 11.608
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6163
sparky, xeasy
4616
sparky, xeasy
74.90
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 101.438 – 135.305
C: 7.689 – 87.378
HN: 4.774 – 11.438
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
325
sparky, xeasy
315
sparky, xeasy
96.92
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 101.451 – 135.318
C: 10.203 – 84.910
HN: 4.775 – 11.439
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
210
sparky, xeasy
206
sparky, xeasy
98.10
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 101.584 – 135.318
C: 6.797 – 88.477
HN: 4.775 – 11.439
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
324
sparky, xeasy
318
sparky, xeasy
98.15
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×1024×256N: 101.557 – 135.292
HN: 4.786 – 11.433
H: -1.696 – 11.253
600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
220
sparky, xeasy
203
sparky, xeasy
92.27
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×639C: -7.026 – 72.865
HC: -1.478 – 11.004
H: -1.493 – 11.003
600 646.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2237
sparky, xeasy
1676
sparky, xeasy
74.92
8 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×512N: 101.384 – 135.250
C: 42.612 – 72.381
HN: 4.773 – 11.431
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
164
sparky, xeasy
97.04
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 101.384 – 135.250
C: 163.066 – 187.873
HN: 4.768 – 11.432
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
164
sparky, xeasy
97.04
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 101.410 – 135.277
C: 42.612 – 72.381
HN: 4.767 – 11.431
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
84
sparky, xeasy
82
sparky, xeasy
97.62
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 101.334 – 135.302
H: 4.773 – 11.437
600 4.00 N–H: spectrum, spectrum with peaks 165
sparky, xeasy
107
sparky, xeasy
64.85
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×256N: 101.651 – 135.386
HN: 4.763 – 11.407
H: -1.858 – 11.390
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2051
sparky, xeasy
1442
sparky, xeasy
70.31

1PQX (91 residues, PDB, BMRB, 2003)

Reference:
Baran, M.C., Aramini, J.M., Xiao, R., Huang, Y.J., Acton, T.B., Shih, L., Montelione, G.T.. Solution Strucutre of the Hypothetical Staphylococcus Aureus protein SAV1430. Northest Strucutral Genomics Consortium target ZR18. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
488×2048C: -3.257 – 76.145
H: -1.873 – 11.459
600 3.98 C–H: spectrum, spectrum with peaks 402
sparky, xeasy
381
sparky, xeasy
94.78
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 106.536 – 146.241
H: -1.883 – 11.449
600 4.00 C–H: spectrum, spectrum with peaks 45
sparky, xeasy
31
sparky, xeasy
68.89
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×654×512C: -3.471 – 76.378
HC: -1.483 – 7.009
H: -1.861 – 11.451
600 660.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8071
sparky, xeasy
7613
sparky, xeasy
94.33
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 2.349 – 48.579
HC: 4.787 – 11.432
H: -1.869 – 11.443
600 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
402
sparky, xeasy
337
sparky, xeasy
83.83
5 CcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.211 – 135.986
C: 5.764 – 89.142
HN: 4.783 – 11.428
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
295
sparky, xeasy
285
sparky, xeasy
96.61
6 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024C: -3.410 – 76.282
HC: -0.626 – 10.178
H: -1.884 – 11.420
600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1440
sparky, xeasy
1353
sparky, xeasy
93.96
7 HCcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.250 – 136.025
H: -0.624 – 10.192
HN: 4.787 – 11.432
600 256.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
421
sparky, xeasy
401
sparky, xeasy
95.25
8 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 103.250 – 136.025
C: 39.230 – 75.625
HN: -1.872 – 11.432
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
175
sparky, xeasy
164
sparky, xeasy
93.71
9 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×2048N: 103.250 – 136.025
C: 167.144 – 183.685
HN: -1.878 – 11.432
600 1024.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
99
sparky, xeasy
82
sparky, xeasy
82.83
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.250 – 136.025
C: 39.208 – 75.603
HN: 4.787 – 11.432
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
87
sparky, xeasy
82
sparky, xeasy
94.25
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
2048×1024N: 99.948 – 136.124
H: -2.262 – 11.896
600 8.00 N–H: spectrum, spectrum with peaks 121
sparky, xeasy
95
sparky, xeasy
78.51
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.211 – 135.986
HN: 4.787 – 11.432
H: -1.869 – 11.443
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2418
sparky, xeasy
2091
sparky, xeasy
86.48

2L33 (91 residues, PDB, BMRB, 2010)

Reference:
Liu, G., Janjua, H., Xiao, R., Acton, T.B., Everett, J., Montelione, G.T. Northeast Structural Genomics Consortium Target HR4527E. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.592 – 76.452
H: -2.212 – 11.729
800 4.00 C–H: spectrum, spectrum with peaks 411
sparky, xeasy
378
sparky, xeasy
91.97
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 112.648 – 142.618
H: -2.194 – 11.740
800 4.00 C–H: spectrum, spectrum with peaks 41
sparky, xeasy
26
sparky, xeasy
63.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×524×512C: 19.992 – 89.446
HC: -0.831 – 6.293
H: -2.203 – 11.770
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5612
sparky, xeasy
5183
sparky, xeasy
92.36
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×124×512C: 113.069 – 142.600
HC: 5.981 – 7.656
H: -1.704 – 11.271
800 16.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
311
sparky, xeasy
236
sparky, xeasy
75.88
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 104.608 – 130.526
C: 13.740 – 83.199
HN: 4.766 – 10.758
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
334
sparky, xeasy
283
sparky, xeasy
84.73
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 102.266 – 133.043
C: 13.800 – 83.259
HN: 4.766 – 10.758
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
190
sparky, xeasy
166
sparky, xeasy
87.37
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 29.784 – 53.409
C2: 4.590 – 79.004
H1: -2.192 – 11.741
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1477
sparky, xeasy
1401
sparky, xeasy
94.85
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 102.487 – 133.002
HN: 4.780 – 11.740
H: 0.291 – 6.267
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
236
sparky, xeasy
199
sparky, xeasy
84.32
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 102.067 – 133.006
H: 4.774 – 11.741
800 2.00 N–H: spectrum, spectrum with peaks 135
sparky, xeasy
88
sparky, xeasy
65.19
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×253×376N: 102.003 – 132.941
HN: 6.292 – 9.724
H: -0.262 – 9.992
800 48.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1750
sparky, xeasy
1340
sparky, xeasy
76.57

2KZV (92 residues, PDB, BMRB, 2010)

Reference:
Yang, Y., Ramelot, T.A., Wang, D., Ciccosanti, C., Mao, L., Janjua, H., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of CV_0373(175-257) protein from Chromobacterium violaceum, Northeast Structural Genomics Consortium Target CvR118A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
449×449C: 10.003 – 80.003
H: -0.496 – 6.497
850 0.97 C–H: spectrum, spectrum with peaks 404
sparky, xeasy
398
sparky, xeasy
98.51
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 112.117 – 142.000
H: 5.498 – 9.498
850 0.33 C–H: spectrum, spectrum with peaks 51
sparky, xeasy
27
sparky, xeasy
52.94
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×429×256C: 13.180 – 78.923
HC: -0.999 – 6.496
H: -1.173 – 10.780
850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6584
sparky, xeasy
6184
sparky, xeasy
93.92
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×229×256C: 111.416 – 141.301
HC: 6.006 – 9.998
H: -1.173 – 10.780
850 59.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
558
sparky, xeasy
370
sparky, xeasy
66.31
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.323 – 128.838
C: 16.486 – 76.017
HN: 5.500 – 10.505
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
338
sparky, xeasy
332
sparky, xeasy
98.22
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.323 – 128.838
C: 16.486 – 76.017
HN: 5.495 – 10.500
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
192
sparky, xeasy
190
sparky, xeasy
98.96
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 8.454 – 78.188
C2: 8.458 – 78.184
H1: -1.003 – 6.496
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1391
sparky, xeasy
1366
sparky, xeasy
98.20
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3164
sparky, xeasy
3114
sparky, xeasy
98.42
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×286N: 105.323 – 128.838
C: 11.434 – 77.176
HN: 5.992 – 10.997
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
290
sparky, xeasy
285
sparky, xeasy
98.28
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×286×128N: 105.323 – 128.838
HN: 5.495 – 10.500
H: 0.561 – 6.514
600 18.06 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
241
sparky, xeasy
238
sparky, xeasy
98.76
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×400C: 13.298 – 83.023
HC: -0.189 – 5.788
H: -0.506 – 6.501
600 100.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1492
sparky, xeasy
1462
sparky, xeasy
97.99
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×400C: 13.294 – 83.028
HC: -0.189 – 5.788
H: -0.501 – 6.506
600 100.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2120
sparky, xeasy
2084
sparky, xeasy
98.30
13 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.323 – 128.838
C: 41.241 – 71.007
HN: 5.505 – 10.511
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
175
sparky, xeasy
172
sparky, xeasy
98.29
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 105.323 – 128.838
C: 168.250 – 183.910
HN: 5.500 – 10.505
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
99
sparky, xeasy
85
sparky, xeasy
85.86
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.323 – 128.838
C: 41.241 – 71.007
HN: 5.500 – 10.505
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
87
sparky, xeasy
86
sparky, xeasy
98.85
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×287N: 105.270 – 128.947
H: 5.498 – 10.506
850 1.23 N–H: spectrum, spectrum with peaks 149
sparky, xeasy
106
sparky, xeasy
71.14
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×287×512N: 105.354 – 128.961
HN: 5.498 – 10.506
H: -1.197 – 10.780
850 144.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2336
sparky, xeasy
1893
sparky, xeasy
81.04

2KCT (94 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Rossi, P., Lee, H., Lemak, A., Wang, H., Foote, E.L., Jiang, M., Xiao, R., Nair, R., Swapna, G.V.T., Acton, T.B., Rost, B., Everett, J.K., Montelione, G.T. Solution nmr structure of the ob-fold domain of heme chaperone ccme from desulfovibrio vulgaris. northeast structural genomics target dvr115g. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.840 – 76.771
H: -2.160 – 11.781
800 8.00 C–H: spectrum, spectrum with peaks 410
sparky, xeasy
386
sparky, xeasy
94.15
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 112.782 – 142.753
H: -1.855 – 11.490
600 8.00 C–H: spectrum, spectrum with peaks 43
sparky, xeasy
29
sparky, xeasy
67.44
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×552×440C: 19.908 – 89.771
HC: -1.002 – 6.503
H: -1.010 – 10.994
800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7325
sparky, xeasy
7052
sparky, xeasy
96.27
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.818 – 142.701
HC: 4.814 – 11.774
H: -1.179 – 10.797
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
629
sparky, xeasy
611
sparky, xeasy
97.14
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.199 – 132.702
C: 8.685 – 88.540
HN: 4.804 – 11.461
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
332
sparky, xeasy
302
sparky, xeasy
90.96
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.218 – 132.721
C: 8.733 – 88.588
HN: 4.802 – 11.460
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
173
sparky, xeasy
159
sparky, xeasy
91.91
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×551C1: 31.846 – 55.752
C2: 9.108 – 78.834
H1: -1.012 – 6.496
600 140.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1465
sparky, xeasy
1413
sparky, xeasy
96.45
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.199 – 132.702
C: 12.246 – 85.050
HN: 4.802 – 11.459
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
278
sparky, xeasy
262
sparky, xeasy
94.24
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.199 – 132.702
HN: 4.802 – 11.459
H: -0.208 – 9.778
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
229
sparky, xeasy
208
sparky, xeasy
90.83
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×550C: 31.846 – 55.752
HC: -0.063 – 6.424
H: -1.003 – 6.492
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1478
sparky, xeasy
1402
sparky, xeasy
94.86
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024C: 31.846 – 55.752
HC: -0.063 – 6.424
H: -2.181 – 11.784
600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2170
sparky, xeasy
2090
sparky, xeasy
96.31
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.608 – 134.390
C: 164.372 – 188.812
HN: 4.802 – 11.459
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
175
sparky, xeasy
159
sparky, xeasy
90.86
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.233 – 132.737
C: 42.698 – 74.466
HN: 4.802 – 11.459
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
87
sparky, xeasy
80
sparky, xeasy
91.95
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 103.159 – 133.130
H: 4.815 – 11.782
800 4.00 N–H: spectrum, spectrum with peaks 127
sparky, xeasy
89
sparky, xeasy
70.08
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×440N: 104.336 – 135.045
HN: 4.824 – 11.784
H: -1.010 – 10.994
800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2114
sparky, xeasy
1817
sparky, xeasy
85.95

ADAR1 (94 residues)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×960C: 11.092 – 44.357
H: -1.201 – 6.276
900 1.88 C–H: spectrum, spectrum with peaks 429
sparky, xeasy
283
sparky, xeasy
65.97
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×832×512C: 11.161 – 44.331
HC: -0.887 – 6.410
H: -0.574 – 10.006
900 416.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6511
sparky, xeasy
4201
sparky, xeasy
64.52
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×320×512C: 113.080 – 134.994
HC: 6.202 – 8.386
H: -0.578 – 10.001
600 160.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
679
sparky, xeasy
145
sparky, xeasy
21.35
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 104.380 – 133.153
C: 12.702 – 74.460
HN: 4.734 – 11.728
500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
333
sparky, xeasy
294
sparky, xeasy
88.29
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×640N: 104.465 – 127.375
C: 13.260 – 73.025
HN: 5.994 – 10.993
600 160.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
198
sparky, xeasy
175
sparky, xeasy
88.38
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×1216C1: 10.287 – 72.045
C2: 10.316 – 72.074
H1: -0.935 – 6.479
600 304.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1548
sparky, xeasy
997
sparky, xeasy
64.41
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1216C: 10.251 – 72.009
HC: -0.588 – 9.991
H: -1.229 – 6.494
600 608.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2399
sparky, xeasy
1265
sparky, xeasy
52.73
8 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×608N: 104.459 – 127.369
C: 39.603 – 68.490
HN: 5.979 – 10.728
600 152.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
175
sparky, xeasy
155
sparky, xeasy
88.57
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×928N: 104.097 – 133.069
H: 4.743 – 11.995
600 3.63 N–H: spectrum, spectrum with peaks 147
sparky, xeasy
94
sparky, xeasy
63.95
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×672×512N: 104.386 – 127.296
HN: 5.423 – 10.991
H: -0.581 – 9.998
900 336.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2084
sparky, xeasy
1362
sparky, xeasy
65.36

2FB7 (95 residues, PDB, BMRB, 2005)

Reference:
Tyler, R.C., Song, J., Markley, J.L.. NMR Solution Structure of protein from Zebra Fish Dr.13312. (To be published).

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
215×860×338C: 10.032 – 76.918
HC: -0.494 – 6.503
H: -0.994 – 9.986
600 247.65 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
3766
sparky, xeasy
2876
sparky, xeasy
76.37
2 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 103.490 – 135.502
C: 8.960 – 88.658
HN: 4.782 – 13.115
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
332
sparky, xeasy
295
sparky, xeasy
88.86
3 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 103.502 – 135.514
C: 9.272 – 88.970
HN: 4.782 – 13.115
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
148
sparky, xeasy
87.57
4 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×2048C1: -1.722 – 77.966
C2: -1.769 – 77.920
H1: -3.556 – 13.118
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1557
sparky, xeasy
1263
sparky, xeasy
81.12
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 103.505 – 135.517
C: 9.293 – 88.981
HN: 4.783 – 13.116
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
271
sparky, xeasy
243
sparky, xeasy
89.67
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×1024×256N: 103.505 – 135.517
HN: 4.779 – 13.112
H: -1.849 – 11.444
600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
227
sparky, xeasy
200
sparky, xeasy
88.11
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
216×256×860C: 9.743 – 76.932
HC: -1.031 – 10.601
H: -0.509 – 6.488
600 186.47 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2318
sparky, xeasy
1695
sparky, xeasy
73.12
8 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 103.505 – 135.517
H: -3.509 – 13.107
HN: 4.780 – 13.113
600 128.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
387
sparky, xeasy
321
sparky, xeasy
82.95
9 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×1024N: 103.486 – 135.498
C: 167.992 – 182.109
HN: 4.774 – 13.107
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
88
sparky, xeasy
72
sparky, xeasy
81.82
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 103.378 – 135.516
H: 4.782 – 13.115
600 1.00 N–H: spectrum, spectrum with peaks 130
sparky, xeasy
77
sparky, xeasy
59.23
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
116×431×423N: 105.002 – 133.989
HN: 6.502 – 10.005
H: -0.496 – 10.504
600 88.69 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1302
sparky, xeasy
919
sparky, xeasy
70.58

2MB0 (95 residues, PDB, BMRB, 2013)

Reference:
Moursy, A., Allain, F.H., Clery, A. (2014). Characterization of the RNA recognition mode of hnRNP G extends its role in SMN2 splicing regulation. Nucleic Acids Res 42: 6659-6672

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
932×877C: 10.410 – 74.050
H: -0.626 – 6.203
900 3.28 C–H: spectrum, spectrum with peaks 427
sparky, xeasy
403
sparky, xeasy
94.38
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×962×436C: 8.755 – 73.501
HC: -0.982 – 6.510
H: -0.369 – 10.656
900 448.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7159
sparky, xeasy
6614
sparky, xeasy
92.39
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×290×325C: 117.345 – 139.001
HC: 5.848 – 8.097
H: -0.325 – 9.800
700 26.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
610
sparky, xeasy
353
sparky, xeasy
57.87
4 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×511×259N: 100.907 – 130.790
C: 5.292 – 70.968
HN: 6.579 – 10.616
500 144.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
297
sparky, xeasy
280
sparky, xeasy
94.28
5 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×295×297N: 100.907 – 130.790
H: -0.515 – 6.385
HN: 6.283 – 10.915
500 95.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
437
sparky, xeasy
427
sparky, xeasy
97.71
6 HNCA
ucsf, pipe, .3D.16, .3D.param
256×106×509N: 100.919 – 130.802
C: 41.247 – 67.505
HN: 6.671 – 10.645
500 56.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
183
sparky, xeasy
160
sparky, xeasy
87.43
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1001×591N: 101.127 – 130.424
H: 6.166 – 10.766
900 2.50 N–H: spectrum, spectrum with peaks 147
sparky, xeasy
102
sparky, xeasy
69.39
8 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×618×358N: 101.036 – 130.802
HN: 6.228 – 11.038
H: -0.374 – 10.801
900 115.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2300
sparky, xeasy
1883
sparky, xeasy
81.87

2L05 (95 residues, PDB, BMRB, 2010)

Reference:
Aramini, J.M., Janjua, H., Ciccosanti, C., Shastry, R., Huang, Y.J., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T. Solution NMR Structure of the Ras-binding domain of Serine/threonine-protein kinase B-raf from Homo sapiens, Northeast Structural Genomics Consortium Target HR4694F. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.847 – 76.779
H: -2.150 – 11.790
800 8.00 C–H: spectrum, spectrum with peaks 488
sparky, xeasy
439
sparky, xeasy
89.96
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×588×512C: 29.809 – 53.762
HC: -1.496 – 6.500
H: -1.166 – 10.811
800 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8757
sparky, xeasy
8416
sparky, xeasy
96.11
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512C: 112.820 – 142.761
HC: 4.826 – 11.786
H: -1.164 – 10.812
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
323
sparky, xeasy
303
sparky, xeasy
93.81
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.809 – 135.672
C: 4.324 – 79.193
HN: 4.822 – 11.797
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
334
sparky, xeasy
292
sparky, xeasy
87.43
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.768 – 135.631
C: 4.419 – 79.273
HN: 4.822 – 11.797
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
186
sparky, xeasy
165
sparky, xeasy
88.71
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C1: 31.823 – 55.776
C2: 6.466 – 81.320
H1: -1.503 – 6.497
600 594.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1666
sparky, xeasy
1597
sparky, xeasy
95.86
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C: 31.865 – 55.818
HC: -0.428 – 6.558
H: -1.507 – 6.493
600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1703
sparky, xeasy
1602
sparky, xeasy
94.07
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C: 31.823 – 55.776
HC: -0.428 – 6.558
H: -1.499 – 6.501
600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2507
sparky, xeasy
2402
sparky, xeasy
95.81
9 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.809 – 135.672
C: 40.710 – 72.710
HN: 4.826 – 11.802
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
173
sparky, xeasy
151
sparky, xeasy
87.28
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 100.850 – 135.713
C: 167.791 – 189.790
HN: 4.822 – 11.797
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
96
sparky, xeasy
83
sparky, xeasy
86.46
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 100.809 – 135.672
C: 167.843 – 189.842
HN: 4.826 – 11.802
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
173
sparky, xeasy
146
sparky, xeasy
84.39
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.809 – 135.672
C: 40.774 – 72.722
HN: 4.822 – 11.797
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
86
sparky, xeasy
75
sparky, xeasy
87.21
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 105.211 – 132.106
HN: 4.823 – 11.783
H: -1.168 – 10.809
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2484
sparky, xeasy
2074
sparky, xeasy
83.49

2KJR (95 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Shastry, R., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the N-terminal Ubiquitin-like Domain from Tubulin-binding Cofactor B, CG11242, from Drosophila melanogaster. Northeast Structural Genomics Consortium Target FR629A (residues 8-92). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
449×411C: 10.019 – 80.019
H: -0.006 – 6.002
850 0.88 C–H: spectrum, spectrum with peaks 381
sparky, xeasy
347
sparky, xeasy
91.08
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×390×256C: 8.073 – 77.800
HC: -0.506 – 6.306
H: -0.955 – 10.600
850 102.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8021
sparky, xeasy
7539
sparky, xeasy
93.99
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×201×256C: 116.190 – 140.800
HC: 5.500 – 9.003
H: -0.955 – 10.600
850 14.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
440
sparky, xeasy
341
sparky, xeasy
77.50
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×128×462N: 103.500 – 135.000
C: 11.547 – 81.000
HN: 5.990 – 10.493
500 16.03 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
362
sparky, xeasy
319
sparky, xeasy
88.12
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×462N: 103.250 – 135.000
C: 11.547 – 81.000
HN: 5.990 – 10.493
500 29.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
216
sparky, xeasy
195
sparky, xeasy
90.28
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×385C1: 8.177 – 78.041
C2: 8.274 – 78.000
H1: -1.014 – 6.488
500 198.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1291
sparky, xeasy
1223
sparky, xeasy
94.73
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×330N: 103.088 – 134.962
C: 9.086 – 83.500
HN: 5.987 – 10.486
500 42.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
312
sparky, xeasy
288
sparky, xeasy
92.31
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×128×487C: 8.136 – 78.000
HC: -0.702 – 6.244
H: -2.022 – 7.473
500 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1867
sparky, xeasy
1761
sparky, xeasy
94.32
9 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×462N: 103.250 – 135.000
C: 41.328 – 70.859
HN: 6.007 – 10.510
500 16.03 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
189
sparky, xeasy
166
sparky, xeasy
87.83
10 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×232N: 103.250 – 135.000
C: 166.294 – 181.955
HN: 5.992 – 10.505
500 7.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
112
sparky, xeasy
100
sparky, xeasy
89.29
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×257N: 103.236 – 135.114
H: 6.008 – 10.491
850 0.31 N–H: spectrum, spectrum with peaks 135
sparky, xeasy
102
sparky, xeasy
75.56
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×257×256N: 103.325 – 135.075
HN: 6.008 – 10.491
H: -0.955 – 10.600
850 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2541
sparky, xeasy
2134
sparky, xeasy
83.98

2M5O (97 residues, PDB, BMRB, 2013)

Reference:
Liu, G., Xiao, R., Janjua, H., Hamilton, K., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Pederson, K., Huang, Y.J., Montelione, G.T. Solution NMR Structure CTD domain of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876C. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×464×412C: 20.049 – 89.502
HC: -0.524 – 5.782
H: -0.797 – 10.441
800 97.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6304
sparky, xeasy
5931
sparky, xeasy
94.08
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×144×256C: 113.245 – 142.776
HC: 6.020 – 7.968
H: -1.641 – 11.308
800 12.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
291
sparky, xeasy
225
sparky, xeasy
77.32
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 102.755 – 133.513
C: 4.273 – 78.980
HN: 4.815 – 11.775
800 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
354
sparky, xeasy
310
sparky, xeasy
87.57
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.118 – 133.634
C: 4.420 – 79.127
HN: 4.815 – 11.775
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
208
sparky, xeasy
187
sparky, xeasy
89.90
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×1024C1: 29.680 – 53.492
C2: 4.566 – 78.980
H1: -2.159 – 11.775
800 64.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1419
sparky, xeasy
1358
sparky, xeasy
95.70
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 103.369 – 133.134
HN: 4.823 – 11.783
H: -0.413 – 6.559
800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
249
sparky, xeasy
217
sparky, xeasy
87.15
7 HNCO
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 103.118 – 133.634
C: 167.860 – 189.688
HN: 4.815 – 11.775
800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
109
sparky, xeasy
81
sparky, xeasy
74.31
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 106.087 – 129.993
H: 4.798 – 11.765
800 1.00 N–H: spectrum, spectrum with peaks 131
sparky, xeasy
99
sparky, xeasy
75.57
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×304×422N: 102.752 – 133.510
HN: 6.284 – 10.411
H: -0.524 – 10.983
800 67.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1932
sparky, xeasy
1613
sparky, xeasy
83.49

HDM2 (97 residues)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY
ucsf, pipe, .3D.16, .3D.param
64×880×405C: -1.192 – 28.339
HC: -0.809 – 5.321
H: -0.527 – 9.719
700 91.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5710
sparky, xeasy
4211
sparky, xeasy
73.75
2 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×647N: 100.376 – 131.207
C: 10.349 – 74.643
HN: 5.978 – 10.484
700 42.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
357
sparky, xeasy
352
sparky, xeasy
98.60
3 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×203×741C: 4.374 – 78.821
HC: -0.635 – 5.679
H: -0.355 – 5.404
700 79.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2622
sparky, xeasy
1915
sparky, xeasy
73.04
4 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×646N: 100.350 – 131.426
C: 46.198 – 74.487
HN: 5.986 – 10.485
700 85.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
183
sparky, xeasy
180
sparky, xeasy
98.36
5 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×97×534N: 100.346 – 131.421
C: 43.011 – 69.632
HN: 6.286 – 10.003
700 28.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
91
sparky, xeasy
90
sparky, xeasy
98.90
6 N15NOESY
ucsf, pipe, .3D.16, .3D.param
64×651×424N: 97.739 – 136.277
HN: 5.685 – 10.218
H: -0.808 – 9.920
700 74.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1796
sparky, xeasy
1416
sparky, xeasy
78.84
7 N15TOCSY
ucsf, pipe, .3D.16, .3D.param
64×575×512N: 101.509 – 132.340
HN: 5.738 – 9.741
H: -2.501 – 11.754
700 74.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
610
sparky, xeasy
438
sparky, xeasy
71.80

2LNA (99 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Yang, Y., Sahu, I.D., Lee, H.W., Xiao, R., Lorigan, G.A., Montelione, G.T., Kennedy, M.A. (2013). NMR structure and MD simulations of the AAA protease intermembrane space domain indicates peripheral membrane localization within the hexaoligomer. FEBS Lett 587: 3522-3528

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×417C: 3.285 – 88.256
H: -0.486 – 6.007
850 1.83 C–H: spectrum, spectrum with peaks 425
sparky, xeasy
397
sparky, xeasy
93.41
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×342C: 110.029 – 139.916
H: 5.004 – 10.001
850 0.42 C–H: spectrum, spectrum with peaks 61
sparky, xeasy
46
sparky, xeasy
75.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×476×256C: 11.996 – 77.718
HC: -0.487 – 6.009
H: -2.167 – 11.782
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8127
sparky, xeasy
7620
sparky, xeasy
93.76
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×293×512C: 111.189 – 140.716
HC: 5.006 – 9.005
H: -1.402 – 10.972
600 38.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1032
sparky, xeasy
893
sparky, xeasy
86.53
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×285N: 104.098 – 133.981
C: 13.654 – 78.400
HN: 5.989 – 10.988
600 72.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
365
sparky, xeasy
329
sparky, xeasy
90.14
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×285N: 104.098 – 133.981
C: 13.984 – 78.476
HN: 5.989 – 10.988
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
218
sparky, xeasy
201
sparky, xeasy
92.20
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×427C1: -4.712 – 74.972
C2: -4.621 – 75.069
H1: -1.014 – 6.484
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1454
sparky, xeasy
1395
sparky, xeasy
95.94
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3591
sparky, xeasy
3475
sparky, xeasy
96.77
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×286N: 104.213 – 133.979
C: 11.246 – 80.973
HN: 5.992 – 10.997
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
327
sparky, xeasy
309
sparky, xeasy
94.50
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×286×256N: 104.221 – 133.988
HN: 5.992 – 10.997
H: 0.390 – 6.367
600 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
256
sparky, xeasy
230
sparky, xeasy
89.84
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×512C: 3.001 – 72.702
HC: -0.410 – 6.563
H: -0.972 – 6.028
600 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1519
sparky, xeasy
1433
sparky, xeasy
94.34
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×383C: 0.067 – 69.938
HC: -0.689 – 6.284
H: -0.506 – 6.203
600 192.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2145
sparky, xeasy
2055
sparky, xeasy
95.80
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×286N: 104.213 – 133.979
H: -0.506 – 6.467
HN: 5.992 – 10.997
600 36.13 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
477
sparky, xeasy
449
sparky, xeasy
94.13
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 104.216 – 133.981
C: 167.227 – 180.930
HN: 6.002 – 11.008
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
113
sparky, xeasy
104
sparky, xeasy
92.04
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×285N: 104.215 – 133.981
C: 41.445 – 70.976
HN: 6.005 – 11.003
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
95
sparky, xeasy
86
sparky, xeasy
90.53
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×285N: 104.154 – 134.036
H: 6.011 – 11.012
600 0.35 N–H: spectrum, spectrum with peaks 163
sparky, xeasy
110
sparky, xeasy
67.48
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×440×512N: 104.306 – 134.073
HN: 5.007 – 11.011
H: -0.793 – 10.388
850 114.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2814
sparky, xeasy
2277
sparky, xeasy
80.92

2LA6 (99 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Xiao, R., Janjua, H., Lee, H., Ciccosanti, C.T., Acton, T.B., Everett, J.K., Huang, Y.J., Montelione, G.T. Northeast Structural Genomics Consortium Target HR6430A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×524×512C: 20.048 – 89.497
HC: -0.799 – 6.325
H: -2.178 – 11.789
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6228
sparky, xeasy
5805
sparky, xeasy
93.21
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×264×256C: 113.242 – 142.773
HC: 4.656 – 8.238
H: -1.643 – 11.306
800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
660
sparky, xeasy
589
sparky, xeasy
89.24
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 103.501 – 132.659
C: 13.790 – 83.250
HN: 4.804 – 11.462
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
360
sparky, xeasy
304
sparky, xeasy
84.44
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 103.501 – 132.659
C: 13.790 – 83.250
HN: 4.804 – 11.462
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
215
sparky, xeasy
188
sparky, xeasy
87.44
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024C1: 25.422 – 49.237
C2: 1.183 – 73.851
H1: -1.880 – 11.449
600 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1437
sparky, xeasy
1371
sparky, xeasy
95.41
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 103.501 – 132.659
C: 9.350 – 88.312
HN: 4.804 – 11.462
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
315
sparky, xeasy
287
sparky, xeasy
91.11
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×128N: 103.501 – 132.659
HN: 4.804 – 11.462
H: -0.134 – 9.794
600 16.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
247
sparky, xeasy
206
sparky, xeasy
83.40
8 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 103.501 – 132.659
C: 168.068 – 185.039
HN: 4.804 – 11.462
600 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
112
sparky, xeasy
80
sparky, xeasy
71.43
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.038 – 132.601
H: 4.797 – 11.462
600 2.00 N–H: spectrum, spectrum with peaks 135
sparky, xeasy
99
sparky, xeasy
73.33
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×324×512N: 102.752 – 133.510
HN: 6.011 – 10.411
H: -2.178 – 11.789
800 88.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1916
sparky, xeasy
1572
sparky, xeasy
82.05

6FIP (99 residues, PDB, BMRB, 2018)

Reference:
Oeemig, J.S., Ollila, O.H.S., Iwai, H. (2018). NMR structure of the C-terminal domain of TonB protein fromPseudomonas aeruginosa. PeerJ 6: e5412-e5412

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×1075C: 3.320 – 83.222
H: -1.003 – 5.998
600 2.23 C–H: spectrum, spectrum with peaks 480
sparky, xeasy
475
sparky, xeasy
98.96
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1323×1024C: 3.816 – 83.188
HC: -0.502 – 6.499
H: -2.315 – 11.855
600 676.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5788
sparky, xeasy
5460
sparky, xeasy
94.33
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×746N: 102.735 – 137.008
C: 9.400 – 83.109
HN: 5.994 – 10.996
800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
358
sparky, xeasy
352
sparky, xeasy
98.32
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×746N: 102.741 – 137.014
C: 9.394 – 83.103
HN: 6.001 – 11.003
800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
198
sparky, xeasy
196
sparky, xeasy
98.99
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×746N: 102.768 – 137.042
C: 6.386 – 86.072
HN: 6.003 – 11.006
800 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
322
sparky, xeasy
320
sparky, xeasy
99.38
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×746×256N: 102.735 – 137.008
HN: 6.000 – 11.003
H: -2.377 – 11.945
800 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
247
sparky, xeasy
244
sparky, xeasy
98.79
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×172×1323C: -4.184 – 75.190
HC: -0.198 – 6.482
H: -0.504 – 6.497
600 122.52 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1848
sparky, xeasy
1827
sparky, xeasy
98.86
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×166×1323C: -4.580 – 74.794
HC: -0.491 – 6.500
H: -0.504 – 6.497
600 115.71 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2694
sparky, xeasy
2653
sparky, xeasy
98.48
9 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×746N: 102.741 – 137.014
C: 167.177 – 183.744
HN: 6.000 – 11.003
800 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
102
sparky, xeasy
90
sparky, xeasy
88.24
10 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×746N: 102.741 – 137.014
C: 165.169 – 183.767
HN: 6.000 – 11.003
800 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
185
sparky, xeasy
180
sparky, xeasy
97.30
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 102.489 – 136.999
H: 4.764 – 11.634
800 4.00 N–H: spectrum, spectrum with peaks 177
sparky, xeasy
107
sparky, xeasy
60.45
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×1024×856N: 102.600 – 137.008
HN: 4.768 – 11.637
H: -0.504 – 11.501
800 858.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2102
sparky, xeasy
1537
sparky, xeasy
73.12
13 N15TOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×746×256N: 102.708 – 136.982
HN: 5.993 – 10.996
H: -2.376 – 11.947
800 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
720
sparky, xeasy
503
sparky, xeasy
69.86

2LEA (100 residues, PDB, BMRB, 2011)

Reference:
Daubner, G.M., Clery, A., Jayne, S., Stevenin, J., Allain, F.H. (2012). A syn-anti conformational difference allows SRSF2 to recognize guanines and cytosines equally well. EMBO J 31: 162-174

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 8.905 – 69.846
H: -3.363 – 12.588
900 8.00 C–H: spectrum, spectrum with peaks 444
sparky, xeasy
353
sparky, xeasy
79.50
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
404×369C: 115.998 – 139.611
H: 6.083 – 8.962
600 0.61 C–H: spectrum, spectrum with peaks 50
sparky, xeasy
25
sparky, xeasy
50.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×895×318C: 13.788 – 45.663
HC: -0.505 – 6.461
H: -0.118 – 9.806
900 280.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7272
sparky, xeasy
5811
sparky, xeasy
79.91
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×395×475C: 116.169 – 134.872
HC: 6.033 – 9.104
H: 0.095 – 9.353
900 52.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
686
sparky, xeasy
329
sparky, xeasy
47.96
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 106.177 – 130.982
C: 9.135 – 70.916
HN: 4.661 – 12.664
500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
354
sparky, xeasy
295
sparky, xeasy
83.33
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×1024N: 103.760 – 133.525
C: 9.395 – 70.898
HN: 4.664 – 12.667
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
184
sparky, xeasy
154
sparky, xeasy
83.70
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×300×1140C: 13.406 – 45.281
HC: -0.160 – 6.263
H: -0.090 – 6.008
750 342.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2340
sparky, xeasy
1727
sparky, xeasy
73.80
8 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 97.611 – 132.475
C: 38.990 – 70.862
HN: 4.666 – 12.668
500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
185
sparky, xeasy
144
sparky, xeasy
77.84
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 97.968 – 132.899
H: 4.658 – 10.647
900 2.00 N–H: spectrum, spectrum with peaks 174
sparky, xeasy
98
sparky, xeasy
56.32
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×512N: 105.900 – 131.103
HN: 4.667 – 11.686
H: -0.669 – 10.010
900 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2475
sparky, xeasy
1794
sparky, xeasy
72.48

2LL8 (101 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Rossi, P., Forouhar, F., Lee, H.W., Yang, Y., Ni, S., Unser, S., Lew, S., Seetharaman, J., Xiao, R., Acton, T.B., Everett, J.K., Prestegard, J.H., Hunt, J.F., Montelione, G.T., Kennedy, M.A. (2012). Structure of a specialized acyl carrier protein essential for lipid A biosynthesis with very long-chain fatty acids in open and closed conformations. Biochemistry 51: 7239-7249

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
449×478C: 9.964 – 79.934
H: -0.997 – 5.992
850 1.02 C–H: spectrum, spectrum with peaks 431
sparky, xeasy
413
sparky, xeasy
95.82
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×342C: 109.128 – 140.997
H: 4.983 – 9.980
850 0.42 C–H: spectrum, spectrum with peaks 48
sparky, xeasy
36
sparky, xeasy
75.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478×256C: 10.590 – 76.313
HC: -0.997 – 5.992
H: -1.175 – 10.782
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9932
sparky, xeasy
9556
sparky, xeasy
96.21
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×342×256C: 111.242 – 142.000
HC: 5.000 – 9.996
H: -1.173 – 10.780
850 44.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
774
sparky, xeasy
693
sparky, xeasy
89.53
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×315N: 105.680 – 132.575
C: 14.026 – 78.518
HN: 5.997 – 11.512
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
382
sparky, xeasy
356
sparky, xeasy
93.19
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×315N: 105.680 – 132.575
C: 14.026 – 78.518
HN: 5.997 – 11.512
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
206
sparky, xeasy
194
sparky, xeasy
94.17
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×428C1: 4.632 – 70.503
C2: 4.761 – 70.503
H1: -1.024 – 6.475
600 214.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1555
sparky, xeasy
1519
sparky, xeasy
97.68
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×315N: 105.754 – 132.543
C: 13.232 – 78.974
HN: 5.997 – 11.512
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
318
sparky, xeasy
305
sparky, xeasy
95.91
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×479×128N: 105.770 – 132.665
HN: 5.000 – 12.004
H: -0.412 – 6.534
850 61.63 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
254
sparky, xeasy
236
sparky, xeasy
92.91
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×478C: 7.480 – 73.223
HC: -0.459 – 6.514
H: -1.006 – 5.983
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2219
sparky, xeasy
2165
sparky, xeasy
97.57
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×315N: 104.183 – 131.078
H: -0.681 – 6.292
HN: 6.002 – 11.517
600 80.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
444
sparky, xeasy
424
sparky, xeasy
95.50
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 105.754 – 132.543
C: 166.218 – 181.968
HN: 5.992 – 10.997
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
105
sparky, xeasy
97
sparky, xeasy
92.38
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×314N: 105.679 – 132.574
C: 41.241 – 71.007
HN: 6.018 – 11.515
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
97
sparky, xeasy
91
sparky, xeasy
93.81
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×285N: 105.612 – 132.559
H: 6.000 – 11.000
600 0.62 N–H: spectrum, spectrum with peaks 135
sparky, xeasy
107
sparky, xeasy
79.26
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×322×256N: 105.901 – 132.690
HN: 5.997 – 11.008
H: -1.173 – 10.780
850 42.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3045
sparky, xeasy
2726
sparky, xeasy
89.52

2KPN (103 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Wang, D., Ciccosanti, C.T., Janjua, H., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T. Solution NMR structure of a Bacterial Ig-like (Big_3) domain from Bacillus cereus. Northeast Structural Genomics Consortium target BcR147A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.314 – 81.240
H: -2.210 – 11.762
600 8.00 C–H: spectrum, spectrum with peaks 446
sparky, xeasy
423
sparky, xeasy
94.84
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×552×512C: 29.822 – 53.775
HC: -1.000 – 6.505
H: -1.171 – 10.805
800 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8649
sparky, xeasy
8309
sparky, xeasy
96.07
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512C: 112.823 – 142.764
HC: 4.811 – 11.771
H: -1.179 – 10.797
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
280
sparky, xeasy
262
sparky, xeasy
93.57
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 105.296 – 132.191
C: 4.288 – 79.157
HN: -2.189 – 11.776
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
378
sparky, xeasy
344
sparky, xeasy
91.01
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 105.265 – 132.159
C: 4.384 – 79.237
HN: -2.189 – 11.776
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
200
sparky, xeasy
184
sparky, xeasy
92.00
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×550C1: 31.787 – 55.740
C2: 6.387 – 81.240
H1: -1.004 – 6.490
600 561.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1605
sparky, xeasy
1564
sparky, xeasy
97.45
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×1024×512N: 105.265 – 132.159
HN: -2.189 – 11.776
H: -1.210 – 6.774
600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
252
sparky, xeasy
227
sparky, xeasy
90.08
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×550C: 31.783 – 55.736
HC: -1.206 – 6.779
H: -0.996 – 6.498
600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1586
sparky, xeasy
1523
sparky, xeasy
96.03
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×550C: 31.801 – 55.755
HC: -1.215 – 6.769
H: -1.004 – 6.490
600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2344
sparky, xeasy
2281
sparky, xeasy
97.31
10 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 105.265 – 132.159
C: 40.694 – 72.694
HN: -2.189 – 11.776
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
197
sparky, xeasy
178
sparky, xeasy
90.36
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 105.265 – 132.159
C: 167.782 – 189.780
HN: -2.189 – 11.776
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
104
sparky, xeasy
96
sparky, xeasy
92.31
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 105.233 – 132.128
C: 167.808 – 189.806
HN: -2.189 – 11.776
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
197
sparky, xeasy
180
sparky, xeasy
91.37
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
2048×2048N: 101.154 – 136.137
H: -2.196 – 11.776
600 16.00 N–H: spectrum, spectrum with peaks 128
sparky, xeasy
97
sparky, xeasy
75.78
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×1024×512N: 105.228 – 132.122
HN: -2.162 – 11.771
H: -1.179 – 10.798
800 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2368
sparky, xeasy
2094
sparky, xeasy
88.43

2K0M (104 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR structure of the uncharacterized protein from Rhodospirillum rubrum gene locus Rru_A0810. Northeast Structural Genomics Target RrR43. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 5.886 – 85.758
H: -5.221 – 14.797
800 4.00 C–H: spectrum, spectrum with peaks 451
sparky, xeasy
426
sparky, xeasy
94.46
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×768×214C: 33.968 – 57.778
HC: -0.915 – 6.585
H: -1.438 – 11.044
800 82.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5550
sparky, xeasy
5084
sparky, xeasy
91.60
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×359×214C: 112.995 – 142.768
HC: 5.574 – 9.075
H: -1.450 – 11.033
800 40.36 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
617
sparky, xeasy
539
sparky, xeasy
87.36
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.614 – 131.188
C: 4.416 – 79.195
HN: 4.799 – 11.759
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
385
sparky, xeasy
327
sparky, xeasy
84.94
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.488 – 131.062
C: 4.555 – 79.222
HN: 4.799 – 11.759
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
208
sparky, xeasy
180
sparky, xeasy
86.54
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×551C1: 29.964 – 53.773
C2: 4.555 – 79.222
H1: -1.412 – 6.079
800 72.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1568
sparky, xeasy
1511
sparky, xeasy
96.36
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 105.841 – 132.626
HN: 4.795 – 11.755
H: 1.054 – 6.035
800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
264
sparky, xeasy
223
sparky, xeasy
84.47
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×551C: 34.100 – 57.722
HC: 0.334 – 6.287
H: -1.412 – 6.079
800 18.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1653
sparky, xeasy
1566
sparky, xeasy
94.74
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×551C: 29.964 – 53.773
HC: 0.334 – 6.287
H: -1.416 – 6.075
800 36.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2371
sparky, xeasy
2274
sparky, xeasy
95.91
10 HNCA
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 104.614 – 131.188
C: 42.007 – 71.765
HN: 4.795 – 11.755
800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
199
sparky, xeasy
170
sparky, xeasy
85.43
11 HNCO
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 104.614 – 131.188
C: 168.970 – 188.810
HN: 4.795 – 11.755
800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
107
sparky, xeasy
82
sparky, xeasy
76.64
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 105.089 – 130.688
C: 168.970 – 188.810
HN: 4.795 – 11.755
800 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
199
sparky, xeasy
164
sparky, xeasy
82.41
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×614N: 100.234 – 135.101
H: 5.007 – 11.001
800 0.67 N–H: spectrum, spectrum with peaks 164
sparky, xeasy
94
sparky, xeasy
57.32
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×256N: 104.337 – 131.128
HN: 4.795 – 14.799
H: -2.669 – 12.275
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2012
sparky, xeasy
1406
sparky, xeasy
69.88

2K5V (104 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Maglaqui, M., Jiang, M., Ciccosanti, C., Xiao, R., Nair, R., Everett, J.K., Swapna, G.VT., Acton, T.B., Montelione, G.T. SOLUTION NMR STRUCTURE OF the second OB-fold domain of replication protein A from Methanococcus maripaludis. NORTHEAST STRUCTURAL GENOMICS TARGET MrR110B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 4.300 – 79.227
H: -2.181 – 11.791
600 8.00 C–H: spectrum, spectrum with peaks 512
sparky, xeasy
482
sparky, xeasy
94.14
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×551×440C: 20.022 – 89.885
HC: -1.001 – 6.490
H: -0.992 – 11.012
800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9121
sparky, xeasy
8898
sparky, xeasy
97.56
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.856 – 142.738
HC: 4.820 – 11.780
H: -0.672 – 10.306
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
471
sparky, xeasy
453
sparky, xeasy
96.18
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.292 – 133.175
C: 4.304 – 79.158
HN: 4.816 – 11.792
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
386
sparky, xeasy
360
sparky, xeasy
93.26
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.257 – 133.139
C: 4.392 – 79.246
HN: 4.829 – 11.805
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
220
sparky, xeasy
208
sparky, xeasy
94.55
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×550C1: 31.796 – 55.749
C2: 6.439 – 81.293
H1: -0.998 – 6.497
600 561.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1690
sparky, xeasy
1654
sparky, xeasy
97.87
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.143 – 133.026
HN: 4.828 – 11.803
H: 0.324 – 6.312
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
270
sparky, xeasy
252
sparky, xeasy
93.33
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×551C: 31.814 – 55.721
HC: -0.059 – 6.428
H: -1.003 – 6.506
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1696
sparky, xeasy
1642
sparky, xeasy
96.82
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×551C: 31.796 – 55.749
HC: -0.063 – 6.424
H: -1.003 – 6.506
600 561.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2524
sparky, xeasy
2470
sparky, xeasy
97.86
10 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.292 – 133.175
C: 40.752 – 72.690
HN: 4.818 – 11.794
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
203
sparky, xeasy
190
sparky, xeasy
93.60
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.257 – 133.139
C: 167.773 – 189.815
HN: 4.845 – 11.821
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
115
sparky, xeasy
109
sparky, xeasy
94.78
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.292 – 133.175
C: 167.734 – 189.776
HN: 4.820 – 11.796
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
203
sparky, xeasy
190
sparky, xeasy
93.60
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.292 – 133.175
C: 40.827 – 72.765
HN: 4.828 – 11.804
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
101
sparky, xeasy
95
sparky, xeasy
94.06
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 103.160 – 133.131
H: 4.811 – 11.794
600 4.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy
112
sparky, xeasy
77.78
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×440N: 104.347 – 135.055
HN: 4.826 – 11.786
H: -1.008 – 10.996
800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2643
sparky, xeasy
2385
sparky, xeasy
90.24

2MQL (105 residues, PDB, BMRB, 2014)

Reference:
Blatter, M., Dunin-Horkawicz, S., Grishina, I., Maris, C., Thore, S., Maier, T., Bindereif, A., Bujnicki, J.M., Allain, F.H. (2015). The Signature of the Five-Stranded vRRM Fold Defined by Functional, Structural and Computational Analysis of the hnRNP L Protein. J Mol Biol 427: 3001-3022

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2560C: 10.559 – 75.495
H: -0.298 – 5.944
900 10.00 C–H: spectrum, spectrum with peaks 435
sparky, xeasy
404
sparky, xeasy
92.87
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1280C: 116.028 – 139.006
H: 5.419 – 9.172
750 5.00 C–H: spectrum, spectrum with peaks 41
sparky, xeasy
25
sparky, xeasy
60.98
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×2463×473C: 11.629 – 47.986
HC: -0.137 – 5.869
H: -0.203 – 9.938
900 1170.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6439
sparky, xeasy
5907
sparky, xeasy
91.74
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×509×480C: 115.171 – 135.014
HC: 6.108 – 8.842
H: -0.244 – 10.047
900 120.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
521
sparky, xeasy
309
sparky, xeasy
59.31
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×248×1477N: 104.677 – 127.089
C: 9.198 – 68.054
HN: 6.052 – 10.002
750 372.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
338
sparky, xeasy
307
sparky, xeasy
90.83
6 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×281×353N: 104.677 – 127.089
H: -0.216 – 5.800
HN: 6.098 – 9.867
750 108.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
481
sparky, xeasy
429
sparky, xeasy
89.19
7 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 100.307 – 132.979
C: 43.204 – 69.001
HN: 4.723 – 10.215
500 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
195
sparky, xeasy
185
sparky, xeasy
94.87
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param
949×1525N: 100.432 – 133.760
H: 5.926 – 10.027
900 5.63 N–H: spectrum, spectrum with peaks 145
sparky, xeasy
110
sparky, xeasy
75.86
9 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1453×441N: 106.665 – 127.501
HN: 5.915 – 10.160
H: -0.253 – 10.059
900 322.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2012
sparky, xeasy
1701
sparky, xeasy
84.54

2K75 (106 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Ding, K., Lee, D., Jiang, M., Ciccosanti, C., Xiao, R., Nair, R., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the OB domain of Ta0387 from Thermoplasma acidophilum. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×308C: 3.119 – 83.041
H: -0.022 – 5.976
600 1.34 C–H: spectrum, spectrum with peaks 453
sparky, xeasy
453
sparky, xeasy
100.00
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×206C: 112.603 – 137.506
H: 5.991 – 9.996
600 0.25 C–H: spectrum, spectrum with peaks 44
sparky, xeasy
30
sparky, xeasy
68.18
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×479×256C: 6.994 – 84.656
HC: -1.004 – 6.000
H: -1.284 – 10.922
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5514
sparky, xeasy
5300
sparky, xeasy
96.12
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×309N: 102.248 – 132.014
C: 14.023 – 78.515
HN: 4.994 – 11.006
600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
400
sparky, xeasy
398
sparky, xeasy
99.50
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×309N: 102.251 – 132.016
C: 13.962 – 78.454
HN: 4.994 – 11.006
600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
231
sparky, xeasy
231
sparky, xeasy
100.00
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.578 – 33.948
C2: 13.581 – 33.951
H1: -3.674 – 9.649
H2: -0.463 – 6.479
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4019
sparky, xeasy
4019
sparky, xeasy
100.00
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×258N: 102.251 – 132.016
C: 16.445 – 75.977
HN: 5.989 – 11.006
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
353
sparky, xeasy
353
sparky, xeasy
100.00
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×232×128N: 102.253 – 132.019
HN: 5.990 – 10.499
H: 0.063 – 6.016
600 14.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
275
sparky, xeasy
275
sparky, xeasy
100.00
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×102×385C: 8.159 – 78.019
HC: -0.968 – 5.975
H: -0.993 – 6.502
600 81.28 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1597
sparky, xeasy
1597
sparky, xeasy
100.00
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×205×385C: 8.112 – 77.981
HC: -1.008 – 6.005
H: -0.999 – 6.497
600 162.42 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2309
sparky, xeasy
2309
sparky, xeasy
100.00
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×232N: 102.253 – 132.019
H: -0.673 – 6.273
HN: 5.988 – 10.497
600 14.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
505
sparky, xeasy
505
sparky, xeasy
100.00
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×309N: 102.250 – 132.017
C: 41.131 – 70.897
HN: 4.995 – 11.007
600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
207
sparky, xeasy
206
sparky, xeasy
99.52
13 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×309N: 102.250 – 132.017
C: 165.763 – 182.497
HN: 4.995 – 11.008
600 10.69 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
119
sparky, xeasy
116
sparky, xeasy
97.48
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×308N: 102.183 – 132.137
H: 6.001 – 10.500
850 0.30 N–H: spectrum, spectrum with peaks 163
sparky, xeasy
125
sparky, xeasy
76.69
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×376×256N: 102.297 – 132.133
HN: 5.006 – 10.500
H: -1.034 – 10.683
850 48.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1951
sparky, xeasy
1639
sparky, xeasy
84.01

2LTM (107 residues, PDB, BMRB, 2012)

Reference:
Liu, G., Xiao, R., Janjua, H., Hamilton, K., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Lee, H., Huang, Y.J., Montelione, G.T. Solution NMR Structure of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876B. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.654 – 76.517
H: -2.165 – 11.776
800 4.00 C–H: spectrum, spectrum with peaks 478
sparky, xeasy
446
sparky, xeasy
93.31
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×1024C: 112.786 – 142.551
H: 4.812 – 11.779
800 0.50 C–H: spectrum, spectrum with peaks 68
sparky, xeasy
54
sparky, xeasy
79.41
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×604×472C: 20.048 – 89.501
HC: -1.615 – 6.599
H: -1.618 – 11.261
800 142.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6710
sparky, xeasy
6259
sparky, xeasy
93.28
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×224×256C: 113.243 – 142.775
HC: 5.332 – 8.369
H: -1.642 – 11.308
800 16.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
754
sparky, xeasy
686
sparky, xeasy
90.98
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.117 – 133.633
C: 4.272 – 78.979
HN: 4.808 – 11.768
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
377
sparky, xeasy
321
sparky, xeasy
85.15
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.117 – 133.633
C: 4.418 – 79.126
HN: 4.808 – 11.768
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
216
sparky, xeasy
189
sparky, xeasy
87.50
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 29.958 – 53.583
C2: 4.563 – 78.977
H1: -2.154 – 11.780
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1680
sparky, xeasy
1614
sparky, xeasy
96.07
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 103.367 – 132.898
HN: 4.814 – 11.775
H: -0.429 – 6.544
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
261
sparky, xeasy
220
sparky, xeasy
84.29
9 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 103.117 – 133.633
C: 167.944 – 189.601
HN: 4.808 – 11.768
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
110
sparky, xeasy
81
sparky, xeasy
73.64
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 102.572 – 133.512
H: 4.808 – 11.775
800 2.00 N–H: spectrum, spectrum with peaks 144
sparky, xeasy
97
sparky, xeasy
67.36
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×374×512N: 102.752 – 133.510
HN: 6.011 – 11.092
H: -2.164 – 11.803
800 96.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1940
sparky, xeasy
1502
sparky, xeasy
77.42

2KOB (108 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Lee, D., Ciccosanti, C., Jiang, M., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of CLOLEP_01837 (fragment 61-160) from Clostridium leptum. Northeast Structural Genomics Consortium Target QlR8A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×515C: 5.926 – 85.736
H: -1.986 – 7.014
850 1.13 C–H: spectrum, spectrum with peaks 490
sparky, xeasy
462
sparky, xeasy
94.29
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×344×256C: 8.692 – 71.407
HC: -0.517 – 5.490
H: -2.164 – 11.786
850 89.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9994
sparky, xeasy
9268
sparky, xeasy
92.74
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×228×256C: 114.438 – 142.000
HC: 5.008 – 8.995
H: -2.165 – 11.780
600 15.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
865
sparky, xeasy
678
sparky, xeasy
78.38
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×314N: 106.010 – 129.915
C: 14.008 – 78.500
HN: 5.029 – 10.526
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
410
sparky, xeasy
392
sparky, xeasy
95.61
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×314N: 106.010 – 129.915
C: 14.008 – 78.500
HN: 5.029 – 10.526
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
248
sparky, xeasy
239
sparky, xeasy
96.37
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×371C1: 8.694 – 71.576
C2: 8.746 – 71.500
H1: -0.485 – 6.013
600 187.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1801
sparky, xeasy
1694
sparky, xeasy
94.06
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4420
sparky, xeasy
4220
sparky, xeasy
95.48
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×314×256N: 106.131 – 129.944
HN: 5.029 – 10.526
H: -0.175 – 5.802
600 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
282
sparky, xeasy
267
sparky, xeasy
94.68
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×344×256C: 6.881 – 76.774
HC: -0.517 – 5.490
H: -0.432 – 6.543
850 175.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1814
sparky, xeasy
1688
sparky, xeasy
93.05
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×344C: 6.881 – 76.774
HC: -0.432 – 6.543
H: -0.517 – 5.490
850 175.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1814
sparky, xeasy
1688
sparky, xeasy
93.05
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×122×343C: 8.744 – 71.503
HC: -0.175 – 5.497
H: -0.485 – 5.521
600 43.93 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2682
sparky, xeasy
2498
sparky, xeasy
93.14
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 106.131 – 129.944
C: 41.469 – 71.000
HN: 6.013 – 11.018
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
207
sparky, xeasy
199
sparky, xeasy
96.14
13 HNCO
ucsf, pipe, .3D.16, .3D.param
256×64×342N: 106.009 – 129.916
C: 166.294 – 181.955
HN: 5.029 – 11.018
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
125
sparky, xeasy
120
sparky, xeasy
96.00
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×342N: 106.131 – 129.944
C: 41.469 – 71.000
HN: 5.029 – 11.018
600 11.81 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
103
sparky, xeasy
99
sparky, xeasy
96.12
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×400N: 104.116 – 134.001
H: 5.029 – 12.016
850 0.39 N–H: spectrum, spectrum with peaks 173
sparky, xeasy
124
sparky, xeasy
71.68
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×400×256N: 106.188 – 130.000
HN: 5.029 – 12.016
H: -1.654 – 11.295
850 50.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3382
sparky, xeasy
2803
sparky, xeasy
82.88

2KHD (108 residues, PDB, BMRB, 2009)

Reference:
Ramelot, T.A., Cort, J.R., Wang, H., Ciccosanti, C., Jiang, M., Liu, J., Rost, B., Swapna, G.V.T., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×615C: 5.816 – 85.659
H: -1.999 – 6.998
850 1.34 C–H: spectrum, spectrum with peaks 448
sparky, xeasy
425
sparky, xeasy
94.87
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×240C: 112.915 – 142.802
H: 5.503 – 9.005
850 0.23 C–H: spectrum, spectrum with peaks 53
sparky, xeasy
31
sparky, xeasy
58.49
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×479×256C: 10.710 – 79.236
HC: -0.998 – 6.006
H: -0.409 – 10.050
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6998
sparky, xeasy
6503
sparky, xeasy
92.93
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×254×256C: 116.972 – 138.800
HC: 5.298 – 9.005
H: -0.409 – 10.050
850 31.88 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
716
sparky, xeasy
554
sparky, xeasy
77.37
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×376N: 104.204 – 133.110
C: 10.281 – 79.556
HN: 5.503 – 10.998
850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
414
sparky, xeasy
377
sparky, xeasy
91.06
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×376N: 104.204 – 133.110
C: 10.935 – 80.210
HN: 5.503 – 10.998
850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
230
sparky, xeasy
205
sparky, xeasy
89.13
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×385C1: 3.314 – 82.998
C2: 3.312 – 83.001
H1: -0.998 – 6.498
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1538
sparky, xeasy
1484
sparky, xeasy
96.49
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×257N: 106.162 – 135.057
C: 13.999 – 78.509
HN: 5.983 – 10.995
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
343
sparky, xeasy
315
sparky, xeasy
91.84
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×258×128N: 104.113 – 133.000
HN: 5.991 – 11.008
H: 0.066 – 6.019
600 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
282
sparky, xeasy
256
sparky, xeasy
90.78
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×113×460C: 31.038 – 54.944
HC: -1.032 – 5.969
H: -1.007 – 6.482
600 55.32 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1582
sparky, xeasy
1503
sparky, xeasy
95.01
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×225×460C: 30.978 – 54.885
HC: -1.031 – 5.969
H: -1.012 – 6.477
600 110.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2234
sparky, xeasy
2139
sparky, xeasy
95.75
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×206N: 104.113 – 133.000
H: -0.450 – 6.495
HN: 5.991 – 9.992
600 27.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
486
sparky, xeasy
440
sparky, xeasy
90.53
13 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×206N: 104.113 – 133.000
C: 41.164 – 70.930
HN: 5.986 – 9.991
600 27.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
213
sparky, xeasy
194
sparky, xeasy
91.08
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×274N: 104.317 – 133.110
C: 166.822 – 183.698
HN: 6.006 – 10.006
850 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
118
sparky, xeasy
103
sparky, xeasy
87.29
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×206N: 104.113 – 133.000
C: 41.234 – 71.000
HN: 5.991 – 9.992
600 27.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
106
sparky, xeasy
97
sparky, xeasy
91.51
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×301N: 104.147 – 133.035
H: 5.296 – 9.989
749 0.37 N–H: spectrum, spectrum with peaks 153
sparky, xeasy
106
sparky, xeasy
69.28
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×329×256N: 104.317 – 133.110
HN: 5.196 – 10.002
H: -0.231 – 9.870
850 42.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2501
sparky, xeasy
1995
sparky, xeasy
79.77

2RN7 (108 residues, PDB, BMRB, 2007)

Reference:
Ramelot, T.A., Cort, J.R., Semesi, A., Garcia, M., Yee, A., Arrowsmith, C.H., Kennedy, M.A. NMR solution structure of TnpE protein from Shigella flexneri. Northeast Structural Genomics Target SfR125. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
481×660C: -0.047 – 74.953
H: -2.002 – 6.994
749 1.52 C–H: spectrum, spectrum with peaks 501
sparky, xeasy
397
sparky, xeasy
79.24
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×416×256C: 31.021 – 54.929
HC: -0.992 – 5.499
H: -0.960 – 10.595
749 104.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6960
sparky, xeasy
5433
sparky, xeasy
78.06
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×257×256C: 110.164 – 139.929
HC: 4.985 – 8.989
H: -0.968 – 10.586
749 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
359
sparky, xeasy
191
sparky, xeasy
53.20
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×246N: 101.239 – 134.893
C: 11.547 – 81.000
HN: 6.002 – 9.998
600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
402
sparky, xeasy
320
sparky, xeasy
79.60
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×246N: 101.239 – 134.893
C: 11.547 – 81.000
HN: 6.002 – 9.998
600 31.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
232
sparky, xeasy
192
sparky, xeasy
82.76
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×461C1: 31.037 – 54.944
C2: 5.767 – 80.474
H1: -1.012 – 6.491
600 119.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1786
sparky, xeasy
1384
sparky, xeasy
77.49
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×369N: 101.239 – 134.893
C: 3.226 – 77.641
HN: 4.986 – 10.988
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
365
sparky, xeasy
304
sparky, xeasy
83.29
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×430×128N: 101.239 – 134.893
HN: 4.991 – 11.988
H: -1.138 – 6.800
600 55.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
280
sparky, xeasy
222
sparky, xeasy
79.29
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×576C: 31.009 – 54.916
HC: -1.012 – 6.487
H: -1.000 – 6.494
749 137.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1913
sparky, xeasy
1453
sparky, xeasy
75.95
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×460N: 101.239 – 134.893
C: 167.463 – 180.641
HN: 4.502 – 11.988
600 59.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
119
sparky, xeasy
83
sparky, xeasy
69.75
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×614N: 101.239 – 134.893
H: 5.999 – 10.998
600 0.67 N–H: spectrum, spectrum with peaks 205
sparky, xeasy
102
sparky, xeasy
49.76
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×257×256N: 101.216 – 134.836
HN: 5.993 – 11.001
H: -0.861 – 10.505
749 68.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2862
sparky, xeasy
1748
sparky, xeasy
61.08

2LXU (108 residues, PDB, BMRB, 2012)

Reference:
Ramelot, T.A., Yang, Y., Pederson, K., Shastry, R., Kohan, E., Janjua, H., Xiao, R., Acton, T.B., Everett, J.K., Prestegard, J.H., Montelione, G.T., Kennedy, M.A. Solution NMR Structure of the eukaryotic RNA recognition motif, RRM1, from the heterogeneous nuclear ribonucleoprotein H from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR8614A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×410C: 5.801 – 85.688
H: 0.003 – 5.996
850 1.79 C–H: spectrum, spectrum with peaks 465
sparky, xeasy
458
sparky, xeasy
98.49
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×257C: 113.773 – 143.718
H: 5.505 – 9.006
850 0.63 C–H: spectrum, spectrum with peaks 54
sparky, xeasy
47
sparky, xeasy
87.04
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×513×256C: 11.998 – 76.716
HC: -0.003 – 5.999
H: -0.924 – 10.529
850 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8386
sparky, xeasy
8040
sparky, xeasy
95.87
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×206×256C: 113.419 – 139.217
HC: 5.999 – 8.402
H: -0.924 – 10.529
850 27.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
596
sparky, xeasy
533
sparky, xeasy
89.43
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×257N: 106.155 – 127.983
C: 13.823 – 78.316
HN: 5.989 – 10.495
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
394
sparky, xeasy
381
sparky, xeasy
96.70
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×257N: 106.150 – 127.978
C: 13.971 – 78.463
HN: 5.989 – 10.495
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
229
sparky, xeasy
224
sparky, xeasy
97.82
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×427C1: 8.246 – 77.980
C2: 8.249 – 77.976
H1: -1.014 – 6.484
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1569
sparky, xeasy
1556
sparky, xeasy
99.17
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.705 – 9.618
H2: -0.494 – 6.449
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3805
sparky, xeasy
3778
sparky, xeasy
99.29
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×257N: 106.073 – 127.987
C: 11.519 – 80.972
HN: 5.979 – 10.486
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
338
sparky, xeasy
333
sparky, xeasy
98.52
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×258×128N: 106.158 – 127.986
HN: 5.981 – 10.495
H: -0.203 – 5.750
600 18.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
278
sparky, xeasy
270
sparky, xeasy
97.12
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×541C: 8.088 – 77.822
HC: -0.705 – 6.240
H: -2.014 – 7.493
600 70.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2397
sparky, xeasy
2378
sparky, xeasy
99.21
12 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×257N: 106.064 – 127.978
C: 169.107 – 182.918
HN: 5.989 – 10.496
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
119
sparky, xeasy
116
sparky, xeasy
97.48
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×330N: 106.094 – 128.073
H: 5.997 – 10.496
850 1.44 N–H: spectrum, spectrum with peaks 167
sparky, xeasy
121
sparky, xeasy
72.46
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×385×512N: 106.244 – 128.073
HN: 5.999 – 10.500
H: -0.947 – 10.529
850 102.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2913
sparky, xeasy
2412
sparky, xeasy
82.80

2KIF (108 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Tubbs, J.L., Kanugula, S., Rossi, P., Ertekin, A., Maglaqui, M., Hamilton, K., Ciccosanti, C.T., Jiang, M., Xiao, R., Soong, T.T., Rost, B., Acton, T.B., Everett, J.K., Pegg, A.E., Tainer, J.A., Montelione, G.T. (2010). Structural basis of O6-alkylguanine recognition by a bacterial alkyltransferase-like DNA repair protein. J Biol Chem 285: 13736-13741

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.844 – 76.776
H: -2.153 – 11.788
800 8.00 C–H: spectrum, spectrum with peaks 512
sparky, xeasy
494
sparky, xeasy
96.48
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×551×440C: 19.844 – 89.708
HC: -0.997 – 6.494
H: -0.513 – 11.491
800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7492
sparky, xeasy
7233
sparky, xeasy
96.54
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.893 – 142.776
HC: 4.823 – 11.783
H: -1.167 – 10.809
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
581
sparky, xeasy
569
sparky, xeasy
97.93
4 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048N: 100.669 – 135.635
H: -2.154 – 11.787
800 8.00 N–H: spectrum, spectrum with peaks 168
sparky, xeasy
113
sparky, xeasy
67.26
5 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×440N: 104.340 – 135.049
HN: 4.828 – 11.788
H: -0.490 – 11.514
800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2209
sparky, xeasy
1818
sparky, xeasy
82.30

2KBN (109 residues, PDB, BMRB, 2008)

Reference:
Kennedy, M.A., Ramelot, T.A., Ding, K., Magliqui, M., Jiang, M., Ciccosanti, C., Xiao, R., Lui, J., Everett, J.K., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T. NMR structure of the OB domain of mm0293 from the archea methanosarcina mazei. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
475×513C: 5.909 – 79.972
H: -1.007 – 6.495
850 1.17 C–H: spectrum, spectrum with peaks 495
sparky, xeasy
460
sparky, xeasy
92.93
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×257C: 110.059 – 140.000
H: 4.995 – 9.997
600 0.63 C–H: spectrum, spectrum with peaks 47
sparky, xeasy
34
sparky, xeasy
72.34
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×479×256C: 7.030 – 84.692
HC: -1.007 – 5.997
H: -1.289 – 10.917
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9177
sparky, xeasy
8542
sparky, xeasy
93.08
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×206×256C: 112.514 – 140.305
HC: 6.002 – 9.005
H: -1.401 – 11.050
850 27.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
601
sparky, xeasy
511
sparky, xeasy
85.02
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×258N: 103.719 – 131.500
C: 14.008 – 78.500
HN: 5.991 – 11.007
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
408
sparky, xeasy
386
sparky, xeasy
94.61
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×232N: 103.719 – 131.500
C: 14.008 – 78.500
HN: 5.991 – 10.500
600 14.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
259
sparky, xeasy
247
sparky, xeasy
95.37
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.670 – 9.653
H2: -0.459 – 6.484
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4177
sparky, xeasy
3920
sparky, xeasy
93.85
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×232N: 103.719 – 131.500
C: 13.656 – 73.188
HN: 5.985 – 10.494
600 14.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
407
sparky, xeasy
388
sparky, xeasy
95.33
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×232×128N: 103.749 – 131.530
HN: 5.985 – 10.494
H: 0.066 – 6.019
600 14.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
282
sparky, xeasy
267
sparky, xeasy
94.68
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×205×385C: 8.134 – 78.003
HC: -1.009 – 6.003
H: -0.998 – 6.498
600 162.42 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2609
sparky, xeasy
2402
sparky, xeasy
92.07
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×232N: 103.719 – 131.500
H: -0.669 – 6.277
HN: 5.985 – 10.494
600 14.50 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
587
sparky, xeasy
562
sparky, xeasy
95.74
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×258N: 103.719 – 131.500
C: 41.328 – 70.859
HN: 5.985 – 11.002
600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
211
sparky, xeasy
200
sparky, xeasy
94.79
13 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×258N: 103.719 – 131.500
C: 165.766 – 182.500
HN: 5.991 – 11.007
600 9.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
133
sparky, xeasy
98
sparky, xeasy
73.68
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×308N: 102.664 – 131.627
H: 6.002 – 10.500
850 0.67 N–H: spectrum, spectrum with peaks 161
sparky, xeasy
133
sparky, xeasy
82.61
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×308×512N: 102.842 – 131.635
HN: 6.002 – 10.500
H: -1.303 – 10.927
850 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2940
sparky, xeasy
2590
sparky, xeasy
88.10

2MK2 (109 residues, PDB, BMRB, 2014)

Reference:
Yang, Y., Ramelot, T.A., Janjua, H., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of N-terminal domain (SH2 domain) of human Inositol polyphosphate phosphatase-like protein 1 (INPPL1) (fragment 20-117), Northeast Structural Genomics Consortium Target HR9134A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×440C: 3.439 – 88.327
H: -1.191 – 6.496
850 0.86 C–H: spectrum, spectrum with peaks 449
sparky, xeasy
415
sparky, xeasy
92.43
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 110.150 – 140.037
H: 5.498 – 9.498
850 0.33 C–H: spectrum, spectrum with peaks 61
sparky, xeasy
31
sparky, xeasy
50.82
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×458×256C: 13.268 – 78.990
HC: -1.009 – 6.993
H: -1.189 – 10.768
850 119.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7543
sparky, xeasy
6967
sparky, xeasy
92.36
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274×256C: 111.315 – 141.202
HC: 5.498 – 9.498
H: -1.175 – 10.782
850 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
634
sparky, xeasy
363
sparky, xeasy
57.26
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 101.250 – 133.000
C: 14.008 – 78.500
HN: 5.491 – 11.493
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
400
sparky, xeasy
364
sparky, xeasy
91.00
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×370N: 101.250 – 133.000
C: 14.008 – 78.500
HN: 5.491 – 11.986
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
227
sparky, xeasy
210
sparky, xeasy
92.51
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×370N: 101.250 – 133.000
C: 11.274 – 81.000
HN: 5.497 – 11.993
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
340
sparky, xeasy
320
sparky, xeasy
94.12
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×314×256N: 101.125 – 133.000
HN: 5.490 – 10.986
H: 0.041 – 7.014
600 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
280
sparky, xeasy
253
sparky, xeasy
90.36
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×238×584C: 10.335 – 76.077
HC: -0.998 – 5.483
H: -2.007 – 7.484
600 142.24 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2165
sparky, xeasy
2023
sparky, xeasy
93.44
10 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×314N: 101.250 – 133.000
C: 39.125 – 68.656
HN: 5.495 – 10.998
600 10.97 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
209
sparky, xeasy
190
sparky, xeasy
90.91
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×370N: 101.125 – 133.000
C: 169.116 – 182.927
HN: 5.497 – 11.993
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
118
sparky, xeasy
95
sparky, xeasy
80.51
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×64×285N: 101.125 – 133.000
C: 41.469 – 71.000
HN: 5.989 – 10.988
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
104
sparky, xeasy
95
sparky, xeasy
91.35
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×445N: 101.031 – 133.000
H: 5.493 – 11.997
600 1.93 N–H: spectrum, spectrum with peaks 171
sparky, xeasy
115
sparky, xeasy
67.25
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×286×256N: 101.318 – 133.072
HN: 6.006 – 10.997
H: -0.893 – 11.063
850 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2646
sparky, xeasy
2087
sparky, xeasy
78.87

2K50 (110 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR Structure of the replication Factor A Related Protein from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Target TR91A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×896C: 8.405 – 83.217
H: -0.970 – 6.032
800 1.75 C–H: spectrum, spectrum with peaks 529
sparky, xeasy
499
sparky, xeasy
94.33
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×552×256C: 29.957 – 53.770
HC: -1.501 – 6.003
H: -0.652 – 10.305
800 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12692
sparky, xeasy
11718
sparky, xeasy
92.33
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×221×256C: 113.006 – 142.772
HC: 6.012 – 9.008
H: -0.652 – 10.305
800 27.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
692
sparky, xeasy
658
sparky, xeasy
95.09
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.351 – 132.117
C: 4.661 – 79.090
HN: 4.852 – 11.828
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
398
sparky, xeasy
368
sparky, xeasy
92.46
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 102.585 – 132.117
C: 4.844 – 79.258
HN: 4.850 – 11.826
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
210
sparky, xeasy
196
sparky, xeasy
93.33
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×513C1: 31.949 – 55.761
C2: 6.173 – 80.880
H1: -1.004 – 5.985
600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1982
sparky, xeasy
1836
sparky, xeasy
92.63
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 103.585 – 133.117
HN: 4.847 – 11.823
H: 0.350 – 6.326
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
273
sparky, xeasy
254
sparky, xeasy
93.04
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×513C: 31.949 – 55.761
HC: -0.412 – 6.037
H: -1.008 – 5.981
600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3007
sparky, xeasy
2755
sparky, xeasy
91.62
9 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.281 – 133.046
C: 40.977 – 72.789
HN: 4.847 – 11.823
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
209
sparky, xeasy
194
sparky, xeasy
92.82
10 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 104.460 – 134.226
C: 167.889 – 189.801
HN: 4.841 – 11.817
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
110
sparky, xeasy
96
sparky, xeasy
87.27
11 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 105.460 – 135.226
C: 167.889 – 189.801
HN: 4.843 – 11.819
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
209
sparky, xeasy
190
sparky, xeasy
90.91
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.351 – 133.117
C: 40.928 – 72.689
HN: 4.847 – 11.823
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
104
sparky, xeasy
97
sparky, xeasy
93.27
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 100.767 – 135.630
H: 4.818 – 14.821
800 1.00 N–H: spectrum, spectrum with peaks 180
sparky, xeasy
104
sparky, xeasy
57.78
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
64×512×512N: 103.599 – 133.130
HN: 4.823 – 11.783
H: -2.657 – 12.314
800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3692
sparky, xeasy
2764
sparky, xeasy
74.86

2KL5 (110 residues, PDB, BMRB, 2009)

Reference:
Liu, G., Hamilton, K., Xiao, R., Ciccosanti, C., Ho, C., Everett, E.K., Nair, R., Acton, A.B., Rost, B., Montelione, G.T. Solution NMR Structure of protein yutD from B.subtilis, Northeast Structural Genomics Consortium Target Target SR232. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.692 – 76.552
H: -2.199 – 11.741
800 4.00 C–H: spectrum, spectrum with peaks 482
sparky, xeasy
374
sparky, xeasy
77.59
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×1024C: 112.777 – 142.668
H: 4.781 – 11.748
800 1.00 C–H: spectrum, spectrum with peaks 96
sparky, xeasy
47
sparky, xeasy
48.96
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×524×512C: 34.853 – 74.541
HC: -1.104 – 6.019
H: -2.207 – 11.765
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5794
sparky, xeasy
4614
sparky, xeasy
79.63
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×304×256C: 113.102 – 142.633
HC: 4.873 – 8.429
H: -1.179 – 10.775
800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
798
sparky, xeasy
413
sparky, xeasy
51.75
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 101.945 – 134.342
C: 13.817 – 83.274
HN: 4.777 – 11.434
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
422
sparky, xeasy
264
sparky, xeasy
62.56
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 101.945 – 134.342
C: 13.834 – 83.291
HN: 4.757 – 11.415
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
250
sparky, xeasy
142
sparky, xeasy
56.80
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 101.651 – 134.586
H: 4.770 – 11.737
800 2.00 N–H: spectrum, spectrum with peaks 172
sparky, xeasy
74
sparky, xeasy
43.02
8 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×503×463N: 104.370 – 135.037
HN: 4.831 – 11.669
H: -0.866 – 11.766
800 116.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1984
sparky, xeasy
1129
sparky, xeasy
56.91

2LTA (110 residues, PDB, BMRB, 2012)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×448×409C: 19.906 – 89.359
HC: -0.358 – 5.730
H: -0.609 – 10.547
800 91.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7720
sparky, xeasy
7242
sparky, xeasy
93.81
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
63×101×234C: 113.114 – 142.176
HC: 6.377 – 7.739
H: -0.820 – 11.013
800 7.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
192
sparky, xeasy
137
sparky, xeasy
71.35
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.243 – 132.634
C: 13.792 – 83.255
HN: 4.799 – 11.457
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
426
sparky, xeasy
386
sparky, xeasy
90.61
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.243 – 132.634
C: 13.820 – 83.283
HN: 4.800 – 11.458
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
232
sparky, xeasy
213
sparky, xeasy
91.81
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 29.783 – 53.408
C2: 4.676 – 79.090
H1: -2.156 – 11.778
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2321
sparky, xeasy
2240
sparky, xeasy
96.51
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×512N: 103.460 – 132.620
C: 9.206 – 88.171
HN: 4.805 – 11.463
600 16.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
412
sparky, xeasy
385
sparky, xeasy
93.45
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 103.505 – 133.036
HN: 4.825 – 11.785
H: -0.412 – 6.561
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
298
sparky, xeasy
269
sparky, xeasy
90.27
8 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 103.484 – 132.643
C: 168.045 – 185.017
HN: 4.800 – 11.458
600 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
118
sparky, xeasy
99
sparky, xeasy
83.90
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.073 – 132.637
H: 4.799 – 11.464
600 2.00 N–H: spectrum, spectrum with peaks 171
sparky, xeasy
110
sparky, xeasy
64.33
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×287×410N: 102.493 – 133.431
HN: 6.378 – 10.274
H: -0.631 – 10.553
800 58.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2244
sparky, xeasy
1729
sparky, xeasy
77.05

2KIW (111 residues, PDB, BMRB, 2009)

Reference:
Yang, Y., Ramelot, T.A., Belote, R.L., Foote, E.L., Janjua, H., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelio, G.T., Kennedy, M.A. Solution NMR structure of the domain N-terminal to the integrase domain of SH1003 from Staphylococcus haemolyticus. Northeast Structural Genomics Consortium Target ShR105F (64-166). To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×615C: 3.333 – 88.250
H: -1.999 – 6.998
850 2.52 C–H: spectrum, spectrum with peaks 516
sparky, xeasy
507
sparky, xeasy
98.26
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×228C: 110.059 – 140.000
H: 5.997 – 9.993
600 0.45 C–H: spectrum, spectrum with peaks 65
sparky, xeasy
51
sparky, xeasy
78.46
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×401×256C: 6.991 – 76.718
HC: -0.996 – 6.008
H: -1.036 – 10.682
850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8665
sparky, xeasy
8209
sparky, xeasy
94.74
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×201×512C: 111.534 – 141.300
HC: 5.500 – 9.003
H: -1.059 – 10.682
850 51.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
782
sparky, xeasy
638
sparky, xeasy
81.59
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×400N: 103.109 – 131.000
C: 11.547 – 81.000
HN: 4.998 – 12.006
600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
428
sparky, xeasy
408
sparky, xeasy
95.33
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×400N: 103.109 – 131.000
C: 11.547 – 81.000
HN: 4.993 – 12.001
600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
253
sparky, xeasy
243
sparky, xeasy
96.05
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 8.434 – 78.168
C2: 8.438 – 78.164
H1: -0.996 – 6.504
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1900
sparky, xeasy
1882
sparky, xeasy
99.05
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.617 – 33.987
C2: 13.940 – 33.987
H1: -0.474 – 6.469
H2: -3.685 – 9.638
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
3988
sparky, xeasy
3961
sparky, xeasy
99.32
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×400N: 106.846 – 131.250
C: 16.469 – 76.000
HN: 4.998 – 12.006
600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
391
sparky, xeasy
380
sparky, xeasy
97.19
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×258×128N: 106.846 – 131.250
HN: 6.013 – 10.526
H: -0.161 – 5.793
600 34.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
288
sparky, xeasy
274
sparky, xeasy
95.14
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×401C: 6.991 – 76.718
HC: -0.365 – 6.607
H: -0.944 – 6.061
850 106.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1958
sparky, xeasy
1931
sparky, xeasy
98.62
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×127×542C: 8.379 – 77.839
HC: -0.868 – 6.514
H: -1.973 – 7.528
600 36.43 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2914
sparky, xeasy
2887
sparky, xeasy
99.07
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×229N: 106.851 – 131.255
H: -0.868 – 6.573
HN: 6.013 – 10.017
600 29.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
574
sparky, xeasy
559
sparky, xeasy
97.39
14 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×400N: 103.109 – 131.000
C: 41.164 – 70.930
HN: 4.993 – 12.001
600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
215
sparky, xeasy
205
sparky, xeasy
95.35
15 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×343N: 103.219 – 131.000
C: 167.578 – 180.629
HN: 4.993 – 10.999
600 11.81 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
127
sparky, xeasy
121
sparky, xeasy
95.28
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×400N: 103.109 – 131.000
C: 41.233 – 71.002
HN: 4.998 – 12.006
600 50.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
107
sparky, xeasy
102
sparky, xeasy
95.33
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×400N: 106.767 – 131.243
H: 4.993 – 12.007
600 1.56 N–H: spectrum, spectrum with peaks 181
sparky, xeasy
124
sparky, xeasy
68.51
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×478×256N: 106.932 – 131.336
HN: 5.005 – 11.994
H: -1.279 – 10.927
850 123.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3173
sparky, xeasy
2576
sparky, xeasy
81.18

2LVB (112 residues, PDB, BMRB, 2012)

Reference:
Koga, N., Tatsumi-Koga, R., Liu, G., Xiao, R., Acton, T.B., Montelione, G.T., Baker, D. (2012). Principles for designing ideal protein structures. Nature 491: 222-227

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×524×512C: 20.273 – 89.726
HC: -1.071 – 6.053
H: -2.172 – 11.801
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7107
sparky, xeasy
6673
sparky, xeasy
93.89
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×264×256C: 113.193 – 142.724
HC: 5.467 – 9.049
H: -1.649 – 11.300
800 20.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
396
sparky, xeasy
333
sparky, xeasy
84.09
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.026 – 133.542
C: 4.375 – 79.082
HN: 4.812 – 11.772
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
422
sparky, xeasy
375
sparky, xeasy
88.86
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.026 – 133.542
C: 4.454 – 79.161
HN: 4.811 – 11.771
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
258
sparky, xeasy
235
sparky, xeasy
91.09
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 30.146 – 53.771
C2: 4.893 – 79.307
H1: -2.160 – 11.774
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1790
sparky, xeasy
1744
sparky, xeasy
97.43
6 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 103.026 – 133.542
C: 167.954 – 189.610
HN: 4.813 – 11.773
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
132
sparky, xeasy
95
sparky, xeasy
71.97
7 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.129 – 133.071
H: 4.806 – 11.773
800 2.00 N–H: spectrum, spectrum with peaks 179
sparky, xeasy
121
sparky, xeasy
67.60
8 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×288×431N: 102.536 – 133.474
HN: 6.421 – 10.330
H: -1.136 – 10.622
800 60.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2339
sparky, xeasy
1810
sparky, xeasy
77.38

2LND (112 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Koga, N., Koga, R., Xiao, R., Lee, H., Janjua, H., Kohan, E., Acton, T.B., Everett, J.K., Baker, D., Montelione, G.T. Northeast Structural Genomics Consortium Target OR134. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 76.788 – 146.651
H: -2.169 – 11.772
800 4.00 C–H: spectrum, spectrum with peaks 499
sparky, xeasy
478
sparky, xeasy
95.79
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×1024C: 112.987 – 142.752
H: 4.812 – 11.779
800 0.50 C–H: spectrum, spectrum with peaks 41
sparky, xeasy
28
sparky, xeasy
68.29
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×564×512C: 20.270 – 89.723
HC: -1.345 – 6.324
H: -2.174 – 11.798
800 144.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7248
sparky, xeasy
6793
sparky, xeasy
93.72
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×124×256C: 113.195 – 142.726
HC: 6.282 – 7.957
H: -1.650 – 11.300
800 8.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
393
sparky, xeasy
326
sparky, xeasy
82.95
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.053 – 132.599
C: 4.405 – 79.112
HN: 4.815 – 11.775
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
422
sparky, xeasy
371
sparky, xeasy
87.91
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.057 – 132.604
C: 4.467 – 79.174
HN: 4.814 – 11.774
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
258
sparky, xeasy
233
sparky, xeasy
90.31
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 30.108 – 53.733
C2: 4.866 – 79.280
H1: -2.161 – 11.773
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1781
sparky, xeasy
1735
sparky, xeasy
97.42
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 104.057 – 132.604
HN: 4.815 – 11.775
H: -0.420 – 6.553
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
289
sparky, xeasy
251
sparky, xeasy
86.85
9 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 104.053 – 132.599
C: 167.905 – 189.561
HN: 4.815 – 11.775
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
132
sparky, xeasy
95
sparky, xeasy
71.97
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.659 – 132.602
H: 4.804 – 11.771
800 2.00 N–H: spectrum, spectrum with peaks 179
sparky, xeasy
120
sparky, xeasy
67.04
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×295×437N: 102.741 – 133.679
HN: 6.403 – 10.407
H: -1.218 – 10.704
800 70.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2384
sparky, xeasy
1831
sparky, xeasy
76.80

1WQU (114 residues, PDB, BMRB, 2004)

Reference:
Scott, A., Pantoja-Uceda, D., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Sugano, S., Yokoyama, S., Guntert, P. (2005). Solution structure of the Src homology 2 domain from the human feline sarcoma oncogene Fes. J Biomol NMR 31: 357-361

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
512×1322C: 5.925 – 45.351
H: -0.996 – 8.002
800 2.58 C–H: spectrum, spectrum with peaks 556
sparky, xeasy
529
sparky, xeasy
95.14
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×1322×800C: 6.142 – 45.336
HC: -0.996 – 8.003
H: -2.261 – 11.672
800 516.41 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12393
sparky, xeasy
11726
sparky, xeasy
94.62
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: -0.093 – 74.590
HN: 5.201 – 10.198
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
400
sparky, xeasy
373
sparky, xeasy
93.25
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 0.317 – 75.000
HN: 5.201 – 10.198
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
232
sparky, xeasy
219
sparky, xeasy
94.40
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 0.142 – 74.825
HN: 5.202 – 10.199
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
370
sparky, xeasy
354
sparky, xeasy
95.68
6 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×367×256N: 101.310 – 133.947
HN: 5.201 – 10.198
H: -2.239 – 11.688
600 45.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
288
sparky, xeasy
268
sparky, xeasy
93.06
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×276×550C: 0.522 – 74.913
HC: -1.010 – 6.499
H: -0.991 – 6.505
600 74.12 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1829
sparky, xeasy
1782
sparky, xeasy
97.43
8 HCCHCOSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×112×223C: 109.172 – 139.063
HC: 5.805 – 7.997
H: 5.810 – 8.002
600 12.20 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
97
sparky, xeasy
75
sparky, xeasy
77.32
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×276×550C: 0.464 – 74.854
HC: -1.013 – 6.497
H: -0.998 – 6.498
600 74.12 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2651
sparky, xeasy
2596
sparky, xeasy
97.93
10 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
H: -0.819 – 10.248
HN: 5.198 – 10.195
600 45.88 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
540
sparky, xeasy
518
sparky, xeasy
95.93
11 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 35.777 – 67.733
HN: 5.201 – 10.198
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
211
sparky, xeasy
196
sparky, xeasy
92.89
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 161.587 – 183.593
HN: 5.209 – 10.206
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
121
sparky, xeasy
98
sparky, xeasy
80.99
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 161.587 – 183.593
HN: 5.202 – 10.199
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
211
sparky, xeasy
196
sparky, xeasy
92.89
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×256×367N: 101.310 – 133.947
C: 35.790 – 67.745
HN: 5.201 – 10.198
600 45.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
105
sparky, xeasy
98
sparky, xeasy
93.33
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×742N: 101.111 – 133.941
H: 5.205 – 10.253
800 1.45 N–H: spectrum, spectrum with peaks 159
sparky, xeasy
119
sparky, xeasy
74.84
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×735×800N: 101.310 – 133.947
HN: 5.204 – 10.204
H: -2.257 – 11.676
800 287.11 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3331
sparky, xeasy
2815
sparky, xeasy
84.51

2KL6 (114 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Lee, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Swapna, G.V.T., Everett, J.K., Montelione, G.T. Solution NMR structure of the CARDB domain of PF1109 from Pyrococcus furiosus. Northeast Structural Genomics Consortium target PfR193A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.835 – 76.767
H: -2.164 – 11.777
800 8.00 C–H: spectrum, spectrum with peaks 487
sparky, xeasy
468
sparky, xeasy
96.10
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 107.291 – 142.257
H: -2.160 – 11.781
800 8.00 C–H: spectrum, spectrum with peaks 55
sparky, xeasy
43
sparky, xeasy
78.18
3 C13NOESY
ucsf, pipe, .3D.16, .3D.param
256×1024×512C: 29.830 – 53.737
HC: -2.163 – 11.771
H: -1.175 – 10.801
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12891
sparky, xeasy
12561
sparky, xeasy
97.44
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.920 – 142.802
HC: 4.814 – 11.774
H: -1.176 – 10.800
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
855
sparky, xeasy
835
sparky, xeasy
97.66
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.805 – 135.668
C: 4.320 – 79.189
HN: 4.822 – 11.798
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
420
sparky, xeasy
386
sparky, xeasy
91.90
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.764 – 135.627
C: 4.327 – 79.181
HN: 4.818 – 11.793
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
254
sparky, xeasy
238
sparky, xeasy
93.70
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C1: 31.819 – 55.772
C2: 6.418 – 81.272
H1: -1.503 – 6.497
600 594.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1708
sparky, xeasy
1671
sparky, xeasy
97.83
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×507×512N: 100.764 – 135.627
HN: 4.814 – 11.789
H: 0.319 – 6.307
600 255.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
285
sparky, xeasy
261
sparky, xeasy
91.58
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C: 31.805 – 55.758
HC: -0.428 – 6.558
H: -1.503 – 6.497
600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1703
sparky, xeasy
1648
sparky, xeasy
96.77
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×587C: 31.819 – 55.772
HC: -0.428 – 6.558
H: -1.503 – 6.497
600 594.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2447
sparky, xeasy
2392
sparky, xeasy
97.75
11 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.805 – 135.668
C: 40.763 – 72.763
HN: 4.818 – 11.793
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
217
sparky, xeasy
200
sparky, xeasy
92.17
12 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.764 – 135.627
C: 167.770 – 189.812
HN: 4.818 – 11.793
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
130
sparky, xeasy
118
sparky, xeasy
90.77
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 100.846 – 135.709
C: 167.839 – 189.838
HN: 4.818 – 11.793
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
217
sparky, xeasy
198
sparky, xeasy
91.24
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.846 – 135.709
C: 40.808 – 72.756
HN: 4.822 – 11.798
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
108
sparky, xeasy
100
sparky, xeasy
92.59
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048N: 100.660 – 135.626
H: -2.162 – 11.779
800 8.00 N–H: spectrum, spectrum with peaks 157
sparky, xeasy
125
sparky, xeasy
79.62
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 105.199 – 132.094
HN: 4.815 – 11.775
H: -1.175 – 10.801
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3429
sparky, xeasy
3114
sparky, xeasy
90.81

6GT7 (115 residues, PDB, BMRB, 2018)

Reference:
Boudet, J., Devillier, J.C., Wiegand, T., Salmon, L., Meier, B.H., Lipps, G., Allain, F.H. (2019). A Small Helical Bundle Prepares Primer Synthesis by Binding Two Nucleotides that Enhance Sequence-Specific Recognition of the DNA Template. Cell 176: 154-166.e13

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
239×814C: 7.198 – 72.220
H: -1.160 – 5.201
750 1.00 C–H: spectrum, spectrum with peaks 584
sparky, xeasy
412
sparky, xeasy
70.55
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 100.078 – 150.048
H: 4.707 – 12.688
900 4.00 C–H: spectrum, spectrum with peaks 45
sparky, xeasy
38
sparky, xeasy
84.44
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×804×355C: 8.799 – 47.507
HC: -0.974 – 5.277
H: -0.770 – 10.301
700 149.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9301
sparky, xeasy
6216
sparky, xeasy
66.83
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×1024×512C: 110.987 – 136.824
HC: 4.706 – 12.687
H: -3.263 – 12.682
900 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
605
sparky, xeasy
493
sparky, xeasy
81.49
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 97.137 – 134.986
C: 12.253 – 73.944
HN: 4.703 – 12.707
750 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
432
sparky, xeasy
364
sparky, xeasy
84.26
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 97.137 – 134.986
C: 12.180 – 73.992
HN: 4.698 – 12.702
750 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
185
sparky, xeasy
78.72
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 97.137 – 134.986
C: 5.199 – 71.009
HN: 4.692 – 12.688
750 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
401
sparky, xeasy
319
sparky, xeasy
79.55
8 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 97.137 – 134.986
C: 38.269 – 70.032
HN: 4.702 – 12.706
750 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
219
sparky, xeasy
185
sparky, xeasy
84.47
9 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 97.122 – 134.971
C: 38.269 – 70.032
HN: 4.701 – 12.704
750 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
109
sparky, xeasy
94
sparky, xeasy
86.24
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 96.970 – 134.923
H: 4.706 – 12.669
700 4.00 N–H: spectrum, spectrum with peaks 168
sparky, xeasy
102
sparky, xeasy
60.71
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×512N: 97.211 – 134.912
HN: 4.692 – 12.696
H: -3.277 – 12.677
750 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2729
sparky, xeasy
1785
sparky, xeasy
65.41

2JN8 (115 residues, PDB, BMRB, 2006)

Reference:
Aramini, J.M., Cort, J.R., Ho, C.K., Cunningham, K., Ma, L.-C., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T.. Solution NMR structure of Q8ZRJ2 from Salmonella typhimurium. Northeast Structural Genomics target StR65. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: -4.851 – 75.071
H: -4.160 – 13.837
500 8.00 C–H: spectrum, spectrum with peaks 513
sparky, xeasy
482
sparky, xeasy
93.96
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×1024C: 110.193 – 140.134
H: -4.155 – 13.871
749 2.00 C–H: spectrum, spectrum with peaks 58
sparky, xeasy
44
sparky, xeasy
75.86
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×398×512C: 31.239 – 55.145
HC: -0.972 – 6.023
H: -0.869 – 10.609
749 204.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8065
sparky, xeasy
7709
sparky, xeasy
95.59
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 110.233 – 140.117
HC: 4.862 – 13.866
H: -0.882 – 10.596
749 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
688
sparky, xeasy
642
sparky, xeasy
93.31
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.777 – 134.598
C: 4.567 – 79.381
HN: 4.890 – 12.368
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
240
sparky, xeasy
214
sparky, xeasy
89.17
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C1: 23.163 – 47.069
C2: -2.162 – 72.545
H1: -0.935 – 6.063
500 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1811
sparky, xeasy
1742
sparky, xeasy
96.19
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 99.923 – 136.049
C: 11.187 – 83.984
HN: 4.847 – 11.087
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
370
sparky, xeasy
337
sparky, xeasy
91.08
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.758 – 134.579
HN: 4.860 – 11.523
H: -0.756 – 6.728
600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
290
sparky, xeasy
251
sparky, xeasy
86.55
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×616C: 2.826 – 82.236
HC: -1.374 – 11.108
H: -0.986 – 6.524
600 627.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1883
sparky, xeasy
1784
sparky, xeasy
94.74
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×399C: 31.152 – 55.058
HC: 0.065 – 8.050
H: -0.935 – 6.063
500 204.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2725
sparky, xeasy
2618
sparky, xeasy
96.07
11 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512C: 99.934 – 152.874
HC: -1.388 – 11.093
H: 4.842 – 10.666
600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
174
sparky, xeasy
160
sparky, xeasy
91.95
12 HCcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.568 – 137.694
H: -0.560 – 10.256
HN: 4.851 – 11.091
600 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
543
sparky, xeasy
490
sparky, xeasy
90.24
13 HNCA
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.547 – 137.673
C: 39.371 – 75.769
HN: 4.849 – 11.089
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
217
sparky, xeasy
191
sparky, xeasy
88.02
14 HNCO
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 97.446 – 138.499
C: 167.181 – 183.724
HN: 4.857 – 11.514
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
124
sparky, xeasy
96
sparky, xeasy
77.42
15 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.981 – 131.191
C: 166.103 – 181.982
HN: 4.845 – 13.830
500 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
217
sparky, xeasy
191
sparky, xeasy
88.02
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 101.547 – 137.673
C: 39.350 – 75.748
HN: 4.854 – 11.095
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
108
sparky, xeasy
95
sparky, xeasy
87.96
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 104.898 – 131.186
H: 4.838 – 13.832
500 4.00 N–H: spectrum, spectrum with peaks 155
sparky, xeasy
116
sparky, xeasy
74.84
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.173 – 132.056
HN: 4.851 – 13.856
H: -1.138 – 10.839
749 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2737
sparky, xeasy
2361
sparky, xeasy
86.26

2K5D (116 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Rossi, P., Zhao, L., Foote, E.L., Jiang, M., Xiao, R., Sharma, S., Swapna, G.VT., Nair, R., Everett, J.K., Acton, T.B., Rost, B., Montelione, G.T. SOLUTION NMR STRUCTURE OF SAG0934 from Streptococcus agalactiae. NORTHEAST STRUCTURAL GENOMICS TARGET SaR32[1-108]. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 5.466 – 80.351
H: -2.134 – 11.807
800 8.00 C–H: spectrum, spectrum with peaks 511
sparky, xeasy
490
sparky, xeasy
95.89
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 112.840 – 142.819
H: 4.848 – 11.815
800 4.00 C–H: spectrum, spectrum with peaks 48
sparky, xeasy
36
sparky, xeasy
75.00
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×551×440C: 20.027 – 89.886
HC: -1.008 – 6.484
H: -1.010 – 10.989
800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9376
sparky, xeasy
8991
sparky, xeasy
95.89
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.919 – 142.810
HC: 4.853 – 11.813
H: -0.886 – 10.588
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
506
sparky, xeasy
490
sparky, xeasy
96.84
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.272 – 131.162
C: 4.414 – 79.340
HN: 4.863 – 11.823
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
438
sparky, xeasy
408
sparky, xeasy
93.15
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.272 – 131.162
C: 4.558 – 79.371
HN: 4.854 – 11.814
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
250
sparky, xeasy
236
sparky, xeasy
94.40
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×552C1: 29.838 – 53.788
C2: 4.470 – 79.283
H1: -1.007 – 6.498
800 561.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1828
sparky, xeasy
1789
sparky, xeasy
97.87
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.240 – 131.131
HN: 4.850 – 11.810
H: 1.096 – 6.087
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
298
sparky, xeasy
277
sparky, xeasy
92.95
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×552C: 29.899 – 53.802
HC: 0.352 – 6.340
H: -1.007 – 6.498
800 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2665
sparky, xeasy
2608
sparky, xeasy
97.86
10 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.304 – 131.194
C: 41.866 – 71.800
HN: 4.854 – 11.814
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
225
sparky, xeasy
210
sparky, xeasy
93.33
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 104.304 – 131.194
C: 168.861 – 188.779
HN: 4.861 – 11.821
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
128
sparky, xeasy
121
sparky, xeasy
94.53
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 104.272 – 131.162
C: 168.908 – 188.826
HN: 4.853 – 11.813
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
225
sparky, xeasy
210
sparky, xeasy
93.33
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 103.178 – 133.145
H: 4.852 – 11.819
800 4.00 N–H: spectrum, spectrum with peaks 178
sparky, xeasy
125
sparky, xeasy
70.22
14 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×504×440N: 104.347 – 135.055
HN: 4.968 – 11.819
H: -1.002 – 10.997
800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2895
sparky, xeasy
2393
sparky, xeasy
82.66

2KD1 (118 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Lee, H., Xiao, R., Acton, T.B., Prestegard, J.H., Montelione, G.T. Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Consortium Target BcR268F. To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×666C: 6.141 – 80.995
H: -0.490 – 6.013
800 1.46 C–H: spectrum, spectrum with peaks 568
sparky, xeasy
531
sparky, xeasy
93.49
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×478×422C: 31.721 – 55.533
HC: -0.485 – 6.012
H: -0.505 – 11.006
800 106.40 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
13472
sparky, xeasy
12544
sparky, xeasy
93.11
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×192×512C: 112.993 – 142.758
HC: 6.003 – 8.605
H: -2.181 – 11.791
800 48.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
917
sparky, xeasy
728
sparky, xeasy
79.39
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.799 – 130.588
C: 4.456 – 78.885
HN: 4.789 – 11.765
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
446
sparky, xeasy
414
sparky, xeasy
92.83
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.799 – 130.588
C: 4.464 – 78.878
HN: 4.788 – 11.764
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
258
sparky, xeasy
244
sparky, xeasy
94.57
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×513C1: 31.695 – 55.507
C2: 6.262 – 80.969
H1: -0.986 – 6.003
600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2190
sparky, xeasy
2082
sparky, xeasy
95.07
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 103.799 – 130.588
HN: 4.788 – 11.764
H: 0.327 – 6.281
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
310
sparky, xeasy
287
sparky, xeasy
92.58
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C: 31.882 – 55.507
HC: -0.346 – 6.103
H: -2.200 – 11.765
600 32.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2136
sparky, xeasy
1991
sparky, xeasy
93.21
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×513C: 31.695 – 55.507
HC: -0.361 – 6.088
H: -0.981 – 6.008
600 34.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3266
sparky, xeasy
3077
sparky, xeasy
94.21
10 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.799 – 130.588
C: 40.648 – 72.460
HN: 4.788 – 11.764
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
229
sparky, xeasy
213
sparky, xeasy
93.01
11 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.799 – 130.588
C: 167.497 – 189.410
HN: 4.792 – 11.768
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
132
sparky, xeasy
107
sparky, xeasy
81.06
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param
616×512N: 79.971 – 140.029
H: 4.788 – 11.764
600 1.20 N–H: spectrum, spectrum with peaks 182
sparky, xeasy
132
sparky, xeasy
72.53
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×512N: 103.799 – 130.588
HN: 4.792 – 11.768
H: -2.190 – 11.783
600 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4118
sparky, xeasy
3408
sparky, xeasy
82.76

2LTL (119 residues, PDB, BMRB, 2012)

Reference:
Liu, G., Xiao, R., Hamilton, K., Janjua, H., Shastry, R., Kohan, E., Acton, T.B., Everett, J.K., Lee, H., Huang, Y.J., Montelione, G.T. Solution NMR Structure of NifU-like protein from Saccharomyces cerevisiae, Northeast Structural Genomics Consortium (NESG) Target YR313A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.654 – 76.517
H: -2.161 – 11.780
800 4.00 C–H: spectrum, spectrum with peaks 546
sparky, xeasy
508
sparky, xeasy
93.04
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×1024C: 112.890 – 142.656
H: 4.813 – 11.780
800 0.50 C–H: spectrum, spectrum with peaks 44
sparky, xeasy
25
sparky, xeasy
56.82
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×564×412C: 20.050 – 89.504
HC: -0.794 – 6.874
H: -0.795 – 10.443
800 117.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6855
sparky, xeasy
6343
sparky, xeasy
92.53
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×174×256C: 113.242 – 142.773
HC: 6.018 – 8.375
H: -1.643 – 11.306
800 12.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
375
sparky, xeasy
284
sparky, xeasy
75.73
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.604 – 133.135
C: 4.421 – 79.128
HN: 4.824 – 11.784
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
450
sparky, xeasy
404
sparky, xeasy
89.78
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 103.604 – 133.135
C: 4.421 – 79.128
HN: 4.817 – 11.777
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
280
sparky, xeasy
257
sparky, xeasy
91.79
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C1: 29.770 – 53.395
C2: 4.563 – 78.977
H1: -2.161 – 11.773
800 32.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1998
sparky, xeasy
1898
sparky, xeasy
94.99
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 103.600 – 133.131
HN: 4.820 – 11.780
H: -0.417 – 6.556
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
313
sparky, xeasy
279
sparky, xeasy
89.14
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.048 – 132.989
H: 4.810 – 11.777
800 2.00 N–H: spectrum, spectrum with peaks 179
sparky, xeasy
133
sparky, xeasy
74.30
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×324×412N: 102.752 – 133.510
HN: 6.011 – 10.411
H: -0.797 – 10.436
800 71.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2158
sparky, xeasy
1756
sparky, xeasy
81.37

2KVO (120 residues, PDB, BMRB, 2010)

Reference:
Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Hamilton, K., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. (2011). Solution NMR structure of photosystem II reaction center protein Psb28 from Synechocystis sp. Strain PCC 6803. Proteins 79: 340-344

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×581C: 10.925 – 76.797
H: -0.984 – 7.514
850 1.27 C–H: spectrum, spectrum with peaks 534
sparky, xeasy
514
sparky, xeasy
96.25
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
445×229C: 113.011 – 139.027
H: 5.502 – 9.507
600 0.60 C–H: spectrum, spectrum with peaks 64
sparky, xeasy
45
sparky, xeasy
70.31
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×429×256C: 10.186 – 77.920
HC: -1.012 – 6.483
H: -1.416 – 11.035
850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8654
sparky, xeasy
8115
sparky, xeasy
93.77
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×287×512C: 111.416 – 141.301
HC: 4.993 – 10.001
H: -1.177 – 10.800
850 144.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
701
sparky, xeasy
489
sparky, xeasy
69.76
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 106.232 – 132.029
C: 12.598 – 80.067
HN: 5.994 – 10.999
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
442
sparky, xeasy
420
sparky, xeasy
95.02
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 106.232 – 132.029
C: 12.598 – 80.067
HN: 5.989 – 10.994
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
248
sparky, xeasy
238
sparky, xeasy
95.97
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C1: 8.423 – 78.157
C2: 8.427 – 78.153
H1: -1.017 – 5.973
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1866
sparky, xeasy
1809
sparky, xeasy
96.95
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.617 – 33.987
C2: 13.940 – 33.987
H1: -0.474 – 6.469
H2: -3.685 – 9.638
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4164
sparky, xeasy
4046
sparky, xeasy
97.17
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×286N: 106.232 – 132.029
C: 10.496 – 78.230
HN: 5.989 – 10.994
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
381
sparky, xeasy
368
sparky, xeasy
96.59
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×308×128N: 106.182 – 132.081
HN: 6.034 – 11.034
H: -0.369 – 7.569
600 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
307
sparky, xeasy
292
sparky, xeasy
95.11
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×461C: 8.323 – 78.054
HC: -0.985 – 6.516
H: -0.973 – 6.518
600 118.54 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1960
sparky, xeasy
1886
sparky, xeasy
96.22
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×461C: 8.328 – 78.049
HC: -1.098 – 6.840
H: -0.973 – 6.518
600 59.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2802
sparky, xeasy
2708
sparky, xeasy
96.65
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×286N: 106.224 – 132.022
H: -0.677 – 6.296
HN: 5.989 – 10.994
600 36.13 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
559
sparky, xeasy
538
sparky, xeasy
96.24
14 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 106.232 – 132.029
C: 41.222 – 70.988
HN: 5.994 – 10.999
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
231
sparky, xeasy
220
sparky, xeasy
95.24
15 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 106.232 – 132.029
C: 169.667 – 182.717
HN: 5.994 – 10.999
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
129
sparky, xeasy
118
sparky, xeasy
91.47
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 106.232 – 132.029
C: 41.222 – 70.988
HN: 5.994 – 10.999
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
115
sparky, xeasy
110
sparky, xeasy
95.65
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×342N: 106.155 – 132.130
H: 6.002 – 10.998
850 1.48 N–H: spectrum, spectrum with peaks 175
sparky, xeasy
130
sparky, xeasy
74.29
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×342×256N: 106.223 – 132.122
HN: 6.002 – 10.998
H: -0.657 – 10.300
850 89.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2853
sparky, xeasy
2383
sparky, xeasy
83.53

1T0Y (120 residues, PDB, BMRB, 2004)

Reference:
Lytle, B.L., Peterson, F.C., Qiu, S.H., Luo, M., Zhao, Q., Markley, J.L., Volkman, B.F. (2004). Solution Structure of a Ubiquitin-like Domain from Tubulin-binding Cofactor B. J Biol Chem 279: 46787-46793

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 22.544 – 63.919
H: -3.535 – 13.119
600 8.00 C–H: spectrum, spectrum with peaks 545
sparky, xeasy
490
sparky, xeasy
89.91
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×1024C: 110.562 – 143.562
H: 4.791 – 13.114
600 1.00 C–H: spectrum, spectrum with peaks 42
sparky, xeasy
21
sparky, xeasy
50.00
3 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×256C: 22.830 – 63.922
HC: -3.532 – 13.114
H: -1.114 – 10.742
600 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4632
sparky, xeasy
4086
sparky, xeasy
88.21
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×97×227C: 111.050 – 143.358
HC: 6.116 – 7.678
H: -0.184 – 10.324
600 15.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
172
sparky, xeasy
82
sparky, xeasy
47.67
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.917 – 135.545
C: 1.727 – 83.911
HN: 4.803 – 13.118
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
450
sparky, xeasy
450
sparky, xeasy
100.00
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.915 – 135.543
C: 2.380 – 84.565
HN: 4.803 – 13.118
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
385
sparky, xeasy
379
sparky, xeasy
98.44
7 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×512C: 22.836 – 63.928
HC: -2.091 – 8.283
H: -2.107 – 8.287
600 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2985
sparky, xeasy
2464
sparky, xeasy
82.55
8 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.917 – 135.545
C: 33.726 – 74.818
HN: 4.802 – 13.117
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
235
sparky, xeasy
100.00
9 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.917 – 135.545
C: 168.514 – 181.662
HN: 4.804 – 13.119
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
127
sparky, xeasy
117
sparky, xeasy
92.13
10 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.920 – 135.548
C: 168.517 – 181.665
HN: 4.804 – 13.119
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
235
sparky, xeasy
100.00
11 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.917 – 135.545
C: 33.729 – 74.821
HN: 4.802 – 13.117
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
117
sparky, xeasy
117
sparky, xeasy
100.00
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 102.657 – 135.510
H: 4.794 – 13.117
600 4.00 N–H: spectrum, spectrum with peaks 169
sparky, xeasy
129
sparky, xeasy
76.33
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 102.884 – 135.512
HN: 4.800 – 13.116
H: -1.124 – 10.732
600 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1617
sparky, xeasy
1372
sparky, xeasy
84.85
14 N15TOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 102.807 – 135.435
HN: 4.796 – 13.111
H: -1.126 – 10.729
600 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
747
sparky, xeasy
552
sparky, xeasy
73.90

2KCD (120 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Ding, K., Chen, C.X., Jiang, M., Ciccosanti, C., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A. Solution NMR structure of SSP0047 from Staphylococcus saprophyticus. Northeast Structural Genomics Consortium Target SyR6. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 5.689 – 85.577
H: -2.679 – 12.311
850 4.00 C–H: spectrum, spectrum with peaks 542
sparky, xeasy
518
sparky, xeasy
95.57
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
909×240C: 112.937 – 139.542
H: 5.570 – 9.072
850 0.94 C–H: spectrum, spectrum with peaks 81
sparky, xeasy
60
sparky, xeasy
74.07
3 C13NOESY
ucsf, pipe, .3D.16, .3D.param
256×1024×256C: 2.421 – 82.075
HC: -2.687 – 12.302
H: -1.402 – 11.050
850 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6022
sparky, xeasy
5567
sparky, xeasy
92.44
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×240×256C: 111.738 – 139.300
HC: 5.503 – 9.005
H: -1.401 – 11.050
850 15.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
792
sparky, xeasy
598
sparky, xeasy
75.51
5 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×1024×256C: 31.056 – 54.962
HC: -3.210 – 12.791
H: -1.172 – 10.781
749 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5513
sparky, xeasy
5188
sparky, xeasy
94.10
6 CBCACOcaHA
ucsf, pipe, .3D.16, .3D.param
128×128×309C: 6.147 – 80.556
CO: 166.958 – 180.849
HA: 0.986 – 6.995
600 20.19 C–CO: projection, projection with peaks
C–HA: projection, projection with peaks
CO–HA: projection, projection with peaks
248
sparky, xeasy
212
sparky, xeasy
85.48
7 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×376N: 105.604 – 134.510
C: 12.945 – 70.963
HN: 5.997 – 11.492
850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
451
sparky, xeasy
417
sparky, xeasy
92.46
8 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×376N: 105.604 – 134.510
C: 13.356 – 71.375
HN: 6.002 – 11.496
850 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
281
sparky, xeasy
261
sparky, xeasy
92.88
9 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×385C1: 8.271 – 78.003
C2: 8.274 – 78.000
H1: -1.003 – 6.492
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1959
sparky, xeasy
1907
sparky, xeasy
97.35
10 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.673 – 34.050
C2: 13.997 – 34.050
H1: -0.446 – 6.500
H2: -3.652 – 9.665
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4034
sparky, xeasy
3940
sparky, xeasy
97.67
11 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×309N: 105.513 – 134.400
C: 15.391 – 74.922
HN: 4.989 – 11.002
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
434
sparky, xeasy
407
sparky, xeasy
93.78
12 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×376×128N: 105.785 – 134.578
HN: 5.997 – 11.492
H: 0.421 – 6.257
850 24.44 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
318
sparky, xeasy
295
sparky, xeasy
92.77
13 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×609C: 8.226 – 77.951
HC: -1.032 – 6.469
H: -2.028 – 7.483
749 150.02 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1938
sparky, xeasy
1862
sparky, xeasy
96.08
14 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×1024C: 2.423 – 82.077
HC: -1.170 – 6.801
H: -2.687 – 12.302
850 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2798
sparky, xeasy
2718
sparky, xeasy
97.14
15 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×376N: 105.604 – 134.510
C: 42.277 – 68.179
HN: 6.002 – 11.496
850 97.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
229
sparky, xeasy
212
sparky, xeasy
92.58
16 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×376N: 105.717 – 134.510
C: 170.365 – 181.875
HN: 6.002 – 11.496
850 11.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
142
sparky, xeasy
130
sparky, xeasy
91.55
17 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×308N: 105.811 – 134.266
C: 41.211 – 70.992
HN: 4.974 – 10.984
600 20.19 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
114
sparky, xeasy
106
sparky, xeasy
92.98
18 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×376N: 105.519 – 134.510
H: 6.002 – 11.496
850 1.47 N–H: spectrum, spectrum with peaks 174
sparky, xeasy
133
sparky, xeasy
76.44
19 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×376×256N: 105.717 – 134.510
HN: 6.002 – 11.496
H: -1.402 – 11.050
850 48.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2948
sparky, xeasy
2503
sparky, xeasy
84.91

2KRT (121 residues, PDB, BMRB, 2009)

Reference:
Mani, R., Swapna, G., Janjua, H., Ciccosanti, C., Huang, Y., Patel, D., Xiao, R., Acton, T., Everett, J., Montelione, G.T. NMR Solution Structure of a Conserved Hypothetical Membrane Lipoprotein obtained from Ureaplasma parvum : Northeast Structural Genomics Consortium Target UuR17A (139-239). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×999C: -2.023 – 77.403
H: -0.509 – 5.992
600 2.18 C–H: spectrum, spectrum with peaks 555
sparky, xeasy
486
sparky, xeasy
87.57
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×515×512C: 20.058 – 89.784
HC: -0.499 – 6.502
H: -2.173 – 11.800
800 264.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
6652
sparky, xeasy
5439
sparky, xeasy
81.76
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×256C: 113.950 – 141.841
HC: 4.816 – 11.776
H: -2.143 – 11.802
800 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
710
sparky, xeasy
415
sparky, xeasy
58.45
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 101.587 – 134.369
C: 8.760 – 88.460
HN: 4.786 – 11.443
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
456
sparky, xeasy
420
sparky, xeasy
92.11
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 100.004 – 136.064
C: 12.357 – 85.020
HN: 4.793 – 11.437
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
315
sparky, xeasy
254
sparky, xeasy
80.63
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×269C1: 25.633 – 49.541
C2: 1.263 – 73.927
H1: -0.503 – 6.480
600 68.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2028
sparky, xeasy
1738
sparky, xeasy
85.70
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 100.004 – 136.064
C: 12.325 – 84.989
HN: 4.801 – 11.445
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
470
sparky, xeasy
385
sparky, xeasy
81.91
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 99.005 – 135.136
HN: 4.788 – 11.446
H: -0.222 – 9.764
600 512.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
325
sparky, xeasy
301
sparky, xeasy
92.62
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×269C: 33.625 – 57.533
HC: -1.846 – 11.442
H: -0.496 – 6.487
600 68.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3053
sparky, xeasy
2378
sparky, xeasy
77.89
10 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512N: 99.026 – 135.157
H: -0.225 – 9.761
HN: 4.790 – 11.448
600 512.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
703
sparky, xeasy
540
sparky, xeasy
76.81
11 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 101.639 – 134.421
C: 34.811 – 74.445
HN: 4.797 – 11.770
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
233
sparky, xeasy
216
sparky, xeasy
92.70
12 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×256N: 100.004 – 136.064
C: 167.986 – 185.159
HN: 4.799 – 11.443
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
160
sparky, xeasy
99
sparky, xeasy
61.88
13 HNHA
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 99.229 – 138.564
H: -2.163 – 11.783
HN: 4.781 – 11.767
500 128.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
366
sparky, xeasy
267
sparky, xeasy
72.95
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×512N: 101.242 – 135.109
H: 4.816 – 11.776
800 0.50 N–H: spectrum, spectrum with peaks 186
sparky, xeasy
130
sparky, xeasy
69.89
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×256N: 102.813 – 133.522
HN: 4.813 – 11.773
H: -2.147 – 11.798
800 128.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2214
sparky, xeasy
1751
sparky, xeasy
79.09

2LFI (122 residues, PDB, BMRB, 2011)

Reference:
Feldmann, E.A., Ramelot, T.A., Yang, Y.A., Wang, H., Ciccosanti, C., Janjua, H., Nair, R., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of a MucBP domain (fragment 187-294) of the protein LBA1460 from Lactobacillus acidophilus, Northeast structural genomics consortium target LaR80A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×615C: 5.911 – 85.798
H: -2.005 – 6.992
850 2.52 C–H: spectrum, spectrum with peaks 534
sparky, xeasy
508
sparky, xeasy
95.13
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×286C: 115.127 – 145.097
H: 4.997 – 10.002
600 1.23 C–H: spectrum, spectrum with peaks 59
sparky, xeasy
33
sparky, xeasy
55.93
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×401×256C: 10.964 – 76.816
HC: -1.003 – 6.001
H: -1.155 – 10.802
850 204.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9700
sparky, xeasy
8948
sparky, xeasy
92.25
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×201×256C: 111.532 – 141.302
HC: 5.500 – 9.003
H: -0.659 – 10.302
850 25.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
431
sparky, xeasy
230
sparky, xeasy
53.36
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×258N: 105.623 – 134.509
C: 13.376 – 79.119
HN: 5.998 – 10.511
600 68.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
455
sparky, xeasy
433
sparky, xeasy
95.16
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 2.516 – 68.258
C2: 2.438 – 68.181
H1: -1.010 – 6.489
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1889
sparky, xeasy
1793
sparky, xeasy
94.92
7 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×542C: 10.277 – 76.148
HC: -0.173 – 5.803
H: -2.000 – 7.501
600 272.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1928
sparky, xeasy
1826
sparky, xeasy
94.71
8 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×542C: 10.277 – 76.148
HC: -0.173 – 5.803
H: -1.997 – 7.505
600 272.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2784
sparky, xeasy
2646
sparky, xeasy
95.04
9 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 105.623 – 134.509
C: 41.246 – 71.011
HN: 5.991 – 10.504
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
233
sparky, xeasy
223
sparky, xeasy
95.71
10 HNCO
ucsf, pipe, .3D.16, .3D.param
256×64×258N: 105.623 – 134.509
C: 168.300 – 183.960
HN: 5.991 – 10.504
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
138
sparky, xeasy
124
sparky, xeasy
89.86
11 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 105.623 – 134.509
C: 41.339 – 71.105
HN: 5.991 – 10.504
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
116
sparky, xeasy
112
sparky, xeasy
96.55
12 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×401N: 105.660 – 134.601
H: 4.993 – 11.997
850 0.88 N–H: spectrum, spectrum with peaks 179
sparky, xeasy
137
sparky, xeasy
76.54
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×401×512N: 105.818 – 134.589
HN: 4.993 – 11.997
H: -1.178 – 10.802
850 106.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3246
sparky, xeasy
2690
sparky, xeasy
82.87

2JQN (122 residues, PDB, BMRB, 2007)

Reference:
Aramini, J.M., Rossi, P., Moseley, H.N.B., Wang, D., Nwosu, C., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M.C., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T.. Solution NMR structure of CC0527 from Caulobacter crescentus. (To be published)

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 1.859 – 81.787
H: -3.180 – 12.834
600 8.00 C–H: spectrum, spectrum with peaks 507
sparky, xeasy
486
sparky, xeasy
95.86
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×2048C: 107.963 – 147.662
H: -2.160 – 11.781
800 1.00 C–H: spectrum, spectrum with peaks 61
sparky, xeasy
42
sparky, xeasy
68.85
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×552×512C: 33.834 – 57.737
HC: -1.012 – 6.493
H: -0.909 – 10.565
800 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
4978
sparky, xeasy
4795
sparky, xeasy
96.32
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.906 – 142.797
HC: 4.823 – 11.784
H: -0.916 – 10.558
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
351
sparky, xeasy
289
sparky, xeasy
82.34
5 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×256×550C: 31.801 – 55.755
HC: -3.381 – 7.576
H: -1.021 – 6.474
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2541
sparky, xeasy
2474
sparky, xeasy
97.36
6 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.821 – 135.678
C: 40.887 – 72.825
HN: 4.856 – 11.817
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
213
sparky, xeasy
90.64
7 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 98.766 – 133.622
C: 167.832 – 189.830
HN: 4.821 – 11.781
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
129
sparky, xeasy
119
sparky, xeasy
92.25
8 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×512N: 98.779 – 133.636
C: 167.814 – 189.813
HN: 4.822 – 11.782
800 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
214
sparky, xeasy
91.06
9 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 100.821 – 135.678
C: 40.837 – 72.775
HN: 4.851 – 11.811
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
117
sparky, xeasy
106
sparky, xeasy
90.60
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 98.662 – 133.631
H: 4.823 – 11.790
800 4.00 N–H: spectrum, spectrum with peaks 181
sparky, xeasy
128
sparky, xeasy
70.72
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 102.278 – 137.144
HN: 4.862 – 11.822
H: -2.117 – 11.850
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1899
sparky, xeasy
1548
sparky, xeasy
81.52

2L7Q (124 residues, PDB, BMRB, 2010)

Reference:
Ramelot, T.A., Yang, Y., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Kennedy, M.A. (2012). Solution NMR structure of BT_0084, a conjugative transposon lipoprotein from Bacteroides thetaiotamicron. Proteins 80: 667-670

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×385C: 2.180 – 82.102
H: -1.013 – 6.488
600 1.69 C–H: spectrum, spectrum with peaks 1090
sparky, xeasy
525
sparky, xeasy
48.17
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×481×256C: 9.265 – 77.001
HC: -1.005 – 6.505
H: -1.357 – 11.005
749 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8156
sparky, xeasy
7732
sparky, xeasy
94.80
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×224×256C: 110.234 – 140.000
HC: 5.004 – 8.498
H: -1.357 – 11.005
749 28.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
891
sparky, xeasy
638
sparky, xeasy
71.60
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×563N: 101.711 – 134.572
C: 11.547 – 81.000
HN: 5.487 – 10.992
600 74.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
918
sparky, xeasy
436
sparky, xeasy
47.49
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×563N: 101.711 – 134.572
C: 11.547 – 81.000
HN: 5.487 – 10.992
600 74.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
570
sparky, xeasy
270
sparky, xeasy
47.37
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×385C1: 38.238 – 62.049
C2: 8.438 – 78.164
H1: -1.013 – 6.488
600 51.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
3768
sparky, xeasy
1827
sparky, xeasy
48.49
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×128N: 101.711 – 134.572
HN: 5.989 – 10.985
H: -1.156 – 6.781
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
651
sparky, xeasy
309
sparky, xeasy
47.47
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×487C: 8.357 – 78.080
HC: -1.013 – 6.488
H: -1.997 – 7.495
600 127.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3966
sparky, xeasy
1917
sparky, xeasy
48.34
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×241×486C: 8.113 – 77.833
HC: -1.031 – 6.469
H: -2.016 – 7.486
600 127.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
5602
sparky, xeasy
2721
sparky, xeasy
48.57
10 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.794 – 134.568
C: 41.164 – 70.930
HN: 5.994 – 10.999
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
475
sparky, xeasy
226
sparky, xeasy
47.58
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×256N: 101.711 – 134.572
C: 165.821 – 182.308
HN: 5.983 – 10.979
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
293
sparky, xeasy
137
sparky, xeasy
46.76
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 105.794 – 134.568
C: 41.164 – 70.930
HN: 6.000 – 11.005
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
237
sparky, xeasy
113
sparky, xeasy
47.68
13 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×347×256N: 101.673 – 134.455
HN: 5.509 – 11.012
H: -1.337 – 11.015
800 89.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2687
sparky, xeasy
2307
sparky, xeasy
85.86

2KFP (125 residues, PDB, BMRB, 2009)

Reference:
Feldmann, E.A., Seetharaman, J., Ramelot, T.A., Lew, S., Zhao, L., Hamilton, K., Ciccosanti, C., Xiao, R., Acton, T.B., Everett, J.K., Tong, L., Montelione, G.T., Kennedy, M.A. (2012). Solution NMR and X-ray crystal structures of Pseudomonas syringae Pspto_3016 from protein domain family PF04237 (DUF419) adopt a "double wing" DNA binding motif. J Struct Funct Genomics 13: 155-162

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×547C: 4.112 – 83.800
H: -1.007 – 6.993
850 0.60 C–H: spectrum, spectrum with peaks 586
sparky, xeasy
567
sparky, xeasy
96.76
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×231C: 110.059 – 140.000
H: 5.503 – 9.997
600 0.56 C–H: spectrum, spectrum with peaks 81
sparky, xeasy
50
sparky, xeasy
61.73
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×547×256C: 9.672 – 78.197
HC: -1.002 – 6.998
H: -1.036 – 10.682
850 140.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
11314
sparky, xeasy
10557
sparky, xeasy
93.31
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×240×256C: 112.514 – 140.305
HC: 5.503 – 9.005
H: -1.036 – 10.682
850 30.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
799
sparky, xeasy
542
sparky, xeasy
67.83
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×258N: 102.734 – 132.500
C: 14.008 – 78.500
HN: 5.997 – 11.013
600 18.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
455
sparky, xeasy
413
sparky, xeasy
90.77
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×119×258N: 102.617 – 132.500
C: 15.023 – 74.945
HN: 5.997 – 11.013
600 31.61 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
267
sparky, xeasy
247
sparky, xeasy
92.51
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×385C1: 3.596 – 83.278
C2: 3.500 – 83.187
H1: -1.003 – 6.492
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2155
sparky, xeasy
2107
sparky, xeasy
97.77
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.986
C2: 13.617 – 33.986
H1: -3.670 – 9.653
H2: -0.459 – 6.484
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
5244
sparky, xeasy
5091
sparky, xeasy
97.08
9 CcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 102.617 – 132.500
C: 14.008 – 78.500
HN: 5.991 – 11.007
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
419
sparky, xeasy
389
sparky, xeasy
92.84
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×308×128N: 102.764 – 132.756
HN: 5.508 – 10.006
H: 0.435 – 6.271
850 20.19 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
320
sparky, xeasy
293
sparky, xeasy
91.56
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×102×385C: 8.262 – 78.121
HC: -0.975 – 5.969
H: -0.998 – 6.498
600 81.28 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2212
sparky, xeasy
2139
sparky, xeasy
96.70
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×212×385C: 8.216 – 78.085
HC: -1.011 – 5.995
H: -0.998 – 6.498
600 167.06 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3274
sparky, xeasy
3185
sparky, xeasy
97.28
13 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 102.617 – 132.500
C: 41.094 – 70.859
HN: 5.985 – 11.002
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
233
sparky, xeasy
212
sparky, xeasy
90.99
14 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 102.617 – 132.500
C: 165.633 – 182.500
HN: 5.991 – 11.007
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
136
sparky, xeasy
123
sparky, xeasy
90.44
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 102.617 – 132.500
C: 41.234 – 71.000
HN: 5.997 – 11.013
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
116
sparky, xeasy
106
sparky, xeasy
91.38
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×342N: 102.682 – 132.636
H: 6.002 – 10.998
850 0.42 N–H: spectrum, spectrum with peaks 188
sparky, xeasy
134
sparky, xeasy
71.28
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×308×256N: 102.682 – 132.636
HN: 6.006 – 10.504
H: -1.036 – 10.682
850 80.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3425
sparky, xeasy
2730
sparky, xeasy
79.71

1SE9 (126 residues, PDB, BMRB, 2004)

Reference:
Vinarov, D.A., Lytle, B.L., Peterson, F.C., Tyler, E.M., Volkman, B.F., Markley, J.L. (2004). Cell-free protein production and labeling protocol for NMR-based structural proteomics., Nat Methods 1: 149-153

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×1024C: 110.694 – 143.694
H: 4.781 – 13.104
600 1.00 C–H: spectrum, spectrum with peaks 35
sparky, xeasy
13
sparky, xeasy
37.14
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×256C: 22.800 – 63.892
HC: -3.511 – 13.136
H: -0.938 – 10.588
600 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
5373
sparky, xeasy
4075
sparky, xeasy
75.84
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×512×256C: 110.812 – 143.685
HC: 4.808 – 13.123
H: -0.942 – 10.584
600 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
251
sparky, xeasy
158
sparky, xeasy
62.95
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.933 – 135.561
C: 1.778 – 83.963
HN: 4.809 – 13.124
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
458
sparky, xeasy
418
sparky, xeasy
91.27
5 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.951 – 135.579
C: 2.426 – 84.610
HN: 4.810 – 13.126
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
418
sparky, xeasy
381
sparky, xeasy
91.15
6 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×512C: 22.810 – 63.902
HC: -2.070 – 8.303
H: -2.093 – 8.301
600 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3369
sparky, xeasy
1851
sparky, xeasy
54.94
7 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.927 – 135.556
C: 33.817 – 74.908
HN: 4.808 – 13.123
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
213
sparky, xeasy
90.64
8 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.940 – 135.568
C: 168.503 – 181.650
HN: 4.809 – 13.124
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
131
sparky, xeasy
114
sparky, xeasy
87.02
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.951 – 135.579
C: 168.537 – 181.685
HN: 4.809 – 13.124
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
235
sparky, xeasy
213
sparky, xeasy
90.64
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.907 – 135.535
C: 33.826 – 74.918
HN: 4.809 – 13.124
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
117
sparky, xeasy
106
sparky, xeasy
90.60
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 102.714 – 135.566
H: 4.799 – 13.123
600 4.00 N–H: spectrum, spectrum with peaks 172
sparky, xeasy
123
sparky, xeasy
71.51
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 102.884 – 135.512
HN: 4.808 – 13.123
H: -0.944 – 10.582
600 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
1642
sparky, xeasy
1318
sparky, xeasy
80.27

2L3G (126 residues, PDB, BMRB, 2010)

Reference:
Liu, G., Xiao, R., Janjua, H., Ciccosanti, C., Shastry, R., Acton, T.B., Everett, J., Montelione, G.T. Northeast Structural Genomics Consortium Target HR4495E, To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×2048C: 112.657 – 142.540
H: -1.912 – 11.423
600 2.00 C–H: spectrum, spectrum with peaks 47
sparky, xeasy
29
sparky, xeasy
61.70
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
112×415×414C: 20.014 – 80.717
HC: -0.259 – 5.380
H: -0.531 – 10.762
800 73.94 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8707
sparky, xeasy
8265
sparky, xeasy
94.92
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×99×443C: 113.210 – 142.741
HC: 6.490 – 7.825
H: -0.482 – 10.741
800 14.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
585
sparky, xeasy
413
sparky, xeasy
70.60
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.340 – 133.361
C: 13.816 – 83.275
HN: 4.765 – 11.423
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
464
sparky, xeasy
425
sparky, xeasy
91.59
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.462 – 133.483
C: 13.816 – 83.275
HN: 4.765 – 11.423
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
271
sparky, xeasy
252
sparky, xeasy
92.99
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024C1: 25.451 – 49.267
C2: 1.071 – 73.737
H1: -1.912 – 11.416
600 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2012
sparky, xeasy
1953
sparky, xeasy
97.07
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.462 – 133.484
C: 9.065 – 88.026
HN: 4.765 – 11.423
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
424
sparky, xeasy
401
sparky, xeasy
94.58
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 102.340 – 133.361
HN: 4.766 – 11.839
H: -0.173 – 9.755
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
325
sparky, xeasy
297
sparky, xeasy
91.38
9 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 102.706 – 133.483
C: 168.050 – 185.022
HN: 4.765 – 11.423
600 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
140
sparky, xeasy
111
sparky, xeasy
79.29
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 102.248 – 133.453
H: 4.759 – 11.756
600 2.00 N–H: spectrum, spectrum with peaks 185
sparky, xeasy
138
sparky, xeasy
74.59
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×385×414N: 102.822 – 133.381
HN: 5.257 – 10.488
H: -0.545 – 10.748
800 84.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2632
sparky, xeasy
2213
sparky, xeasy
84.08

2L3B (130 residues, PDB, BMRB, 2010)

Reference:
Ramelot, T.A., Yang, Y., Xiao, R., Acton, T.B., Everett, J.K., Montelione, G.T., Kennedy, M.A. (2012). Proteins 867-870

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×401C: 0.745 – 80.633
H: -0.503 – 6.501
850 1.76 C–H: spectrum, spectrum with peaks 564
sparky, xeasy
529
sparky, xeasy
93.79
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×429×256C: 8.895 – 78.651
HC: -0.994 – 6.501
H: -1.175 – 10.782
850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9215
sparky, xeasy
8442
sparky, xeasy
91.61
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×201×512C: 111.392 – 141.161
HC: 5.487 – 8.990
H: -1.204 – 10.773
850 51.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1067
sparky, xeasy
623
sparky, xeasy
58.39
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×286N: 103.012 – 132.894
C: 16.234 – 76.000
HN: 5.992 – 10.997
600 72.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
476
sparky, xeasy
440
sparky, xeasy
92.44
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×286N: 103.012 – 132.894
C: 16.469 – 76.000
HN: 5.992 – 10.997
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
293
sparky, xeasy
259
sparky, xeasy
88.40
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 8.270 – 78.004
C2: 8.273 – 78.000
H1: -1.003 – 6.496
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1904
sparky, xeasy
1825
sparky, xeasy
95.85
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4190
sparky, xeasy
4043
sparky, xeasy
96.49
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×286×128N: 103.012 – 132.894
HN: 5.992 – 10.997
H: -0.175 – 5.778
600 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
337
sparky, xeasy
302
sparky, xeasy
89.61
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×371C: 8.192 – 77.917
HC: -0.175 – 5.802
H: -0.496 – 6.002
600 97.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2054
sparky, xeasy
1939
sparky, xeasy
94.40
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C: 8.188 – 77.922
HC: -0.182 – 5.795
H: -0.987 – 6.002
600 102.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2850
sparky, xeasy
2727
sparky, xeasy
95.68
11 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×286N: 103.047 – 132.930
C: 41.164 – 70.930
HN: 5.992 – 10.997
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
245
sparky, xeasy
227
sparky, xeasy
92.65
12 HNCO
ucsf, pipe, .3D.16, .3D.param
256×64×286N: 103.047 – 132.930
C: 168.251 – 183.911
HN: 5.992 – 10.997
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
150
sparky, xeasy
133
sparky, xeasy
88.67
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×286N: 103.047 – 132.930
C: 41.164 – 70.930
HN: 5.992 – 10.997
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
122
sparky, xeasy
113
sparky, xeasy
92.62
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×286N: 103.038 – 133.009
H: 6.006 – 10.997
850 1.23 N–H: spectrum, spectrum with peaks 189
sparky, xeasy
138
sparky, xeasy
73.02
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×286×512N: 103.117 – 133.000
HN: 6.006 – 10.997
H: -1.197 – 10.780
850 144.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2974
sparky, xeasy
2404
sparky, xeasy
80.83

2LRH (134 residues, PDB, BMRB, 2012)

Reference:
Liu, G., Koga, N., Koga, R., Xiao, R., Lee, H., Janjua, H., Kohan, E., Acton, T.B., Everett, J.K., Baker, D., Montelione, G.T. Solution NMR structure of de novo designed protein, p-loop ntpase fold, Northeast Structural Genomics Consortium target or137. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×2048C: 6.707 – 76.571
H: -2.163 – 11.777
800 4.00 C–H: spectrum, spectrum with peaks 687
sparky, xeasy
671
sparky, xeasy
97.67
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×248C: 112.899 – 142.665
H: 6.010 – 7.692
800 0.13 C–H: spectrum, spectrum with peaks 44
sparky, xeasy
31
sparky, xeasy
70.45
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×524×512C: 20.079 – 89.532
HC: -0.797 – 6.327
H: -2.170 – 11.803
800 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9780
sparky, xeasy
9382
sparky, xeasy
95.93
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×124×256C: 113.124 – 142.656
HC: 6.016 – 7.692
H: -1.641 – 11.309
800 8.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
479
sparky, xeasy
405
sparky, xeasy
84.55
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.022 – 132.569
C: 4.390 – 79.097
HN: 4.821 – 11.781
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
526
sparky, xeasy
494
sparky, xeasy
93.92
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
64×256×512N: 104.045 – 132.592
C: 4.431 – 79.138
HN: 4.816 – 11.776
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
322
sparky, xeasy
306
sparky, xeasy
95.03
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×1024C1: 29.751 – 53.564
C2: 4.721 – 79.135
H1: -2.163 – 11.771
800 64.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2666
sparky, xeasy
2633
sparky, xeasy
98.76
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 104.008 – 132.555
HN: 4.816 – 11.776
H: -0.424 – 6.549
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
373
sparky, xeasy
352
sparky, xeasy
94.37
9 HNCO
ucsf, pipe, .3D.16, .3D.param
64×64×512N: 104.008 – 132.555
C: 167.924 – 189.581
HN: 4.816 – 11.776
800 8.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
163
sparky, xeasy
126
sparky, xeasy
77.30
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.609 – 132.552
H: 4.811 – 11.778
800 2.00 N–H: spectrum, spectrum with peaks 210
sparky, xeasy
156
sparky, xeasy
74.29
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×286×382N: 102.544 – 133.483
HN: 6.051 – 9.933
H: -0.204 – 10.214
800 54.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2844
sparky, xeasy
2368
sparky, xeasy
83.26

1VEE (134 residues, PDB, BMRB, 2004)

Reference:
Pantoja-Uceda, D., Lopez-Mendez, B., Koshiba, S., Inoue, M., Kigawa, T., Terada, T., Shirouzu, M., Tanaka, A., Seki, M., Shinozaki, K., Yokoyama, S., Guntert, P. (2005). Solution structure of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thaliana. Protein Sci 14: 224-230

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×1029C: -0.195 – 74.493
H: -1.038 – 5.961
800 2.01 C–H: spectrum, spectrum with peaks 583
sparky, xeasy
573
sparky, xeasy
98.28
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×1029×800C: 8.908 – 46.716
HC: -1.036 – 5.963
H: -2.289 – 11.638
800 401.95 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12604
sparky, xeasy
12093
sparky, xeasy
95.95
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×368×800C: 109.663 – 134.998
HC: 5.467 – 7.966
H: -2.289 – 11.638
800 143.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1131
sparky, xeasy
735
sparky, xeasy
64.99
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.575 – 135.199
C: 0.047 – 74.699
HN: 6.295 – 10.198
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
477
sparky, xeasy
476
sparky, xeasy
99.79
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.575 – 135.199
C: 0.369 – 75.021
HN: 6.296 – 10.199
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
279
sparky, xeasy
279
sparky, xeasy
100.00
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×661N: 102.575 – 135.199
C: 0.200 – 74.852
HN: 6.293 – 10.797
600 82.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
423
sparky, xeasy
422
sparky, xeasy
99.76
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×661×256N: 102.600 – 135.224
HN: 6.297 – 10.801
H: -1.552 – 10.981
600 82.63 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
337
sparky, xeasy
335
sparky, xeasy
99.41
8 HCCHCOSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×286×571C: 109.750 – 135.071
HC: 5.495 – 7.993
H: 5.496 – 7.994
600 79.74 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
119
sparky, xeasy
67
sparky, xeasy
56.30
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×514×1027C: 0.720 – 75.080
HC: -1.012 – 5.990
H: -1.006 – 5.996
600 257.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3227
sparky, xeasy
3121
sparky, xeasy
96.72
10 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×661N: 102.575 – 135.199
H: -1.552 – 10.981
HN: 6.296 – 10.800
600 82.63 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
619
sparky, xeasy
615
sparky, xeasy
99.35
11 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.575 – 135.199
C: 38.091 – 70.033
HN: 6.297 – 10.200
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
253
sparky, xeasy
252
sparky, xeasy
99.60
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.575 – 135.199
C: 162.039 – 184.036
HN: 6.297 – 10.200
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
146
sparky, xeasy
125
sparky, xeasy
85.62
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.600 – 135.224
C: 162.056 – 184.054
HN: 6.296 – 10.199
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
253
sparky, xeasy
251
sparky, xeasy
99.21
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 102.575 – 135.199
C: 38.091 – 70.033
HN: 6.295 – 10.199
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
126
sparky, xeasy
126
sparky, xeasy
100.00
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×574N: 102.375 – 135.193
H: 6.283 – 10.184
800 1.12 N–H: spectrum, spectrum with peaks 179
sparky, xeasy
153
sparky, xeasy
85.47
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×662×800N: 102.574 – 135.199
HN: 6.283 – 10.784
H: -2.275 – 11.652
800 258.59 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3981
sparky, xeasy
3610
sparky, xeasy
90.68

2K1G (136 residues, PDB, BMRB, 2008)

Reference:
Aramini, J.M., Rossi, P., Huang, Y.J., Zhao, L., Jiang, M., Maglaqui, M., Xiao, R., Locke, J., Nair, R., Rost, B., Acton, T.B., Inouye, M., Montelione, G.T. (2008). Biochemistry 47: 9715-9717

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 5.421 – 80.307
H: -2.185 – 11.749
800 4.00 C–H: spectrum, spectrum with peaks 587
sparky, xeasy
566
sparky, xeasy
96.42
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×512C: 112.785 – 142.764
H: 4.795 – 11.756
800 2.00 C–H: spectrum, spectrum with peaks 77
sparky, xeasy
57
sparky, xeasy
74.03
3 C13NOESY
ucsf, pipe, .3D.16, .3D.param
512×1024×440C: 16.001 – 85.860
HC: -2.177 – 11.756
H: -1.012 – 10.987
800 884.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
14042
sparky, xeasy
13184
sparky, xeasy
93.89
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512C: 112.923 – 142.814
HC: 4.768 – 11.728
H: -0.973 – 10.501
800 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1381
sparky, xeasy
1212
sparky, xeasy
87.76
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.225 – 133.111
C: 4.403 – 79.329
HN: 4.803 – 11.764
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
508
sparky, xeasy
456
sparky, xeasy
89.76
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 101.678 – 134.458
C: 15.586 – 81.769
HN: 4.807 – 11.793
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
301
sparky, xeasy
277
sparky, xeasy
92.03
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×576C1: 25.662 – 49.573
C2: 4.505 – 70.689
H1: -0.997 – 6.493
600 288.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1992
sparky, xeasy
1950
sparky, xeasy
97.89
8 CCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×256×1024C1: 112.829 – 142.720
C2: 112.970 – 142.861
H1: -2.184 – 11.750
800 256.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
225
sparky, xeasy
187
sparky, xeasy
83.11
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 101.639 – 134.420
C: 15.547 – 81.730
HN: 4.803 – 11.784
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
447
sparky, xeasy
421
sparky, xeasy
94.18
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.225 – 133.111
HN: 4.799 – 11.759
H: 1.044 – 6.035
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
360
sparky, xeasy
323
sparky, xeasy
89.72
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×552C: 29.816 – 53.719
HC: 0.292 – 6.280
H: -1.005 – 6.500
800 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2135
sparky, xeasy
2072
sparky, xeasy
97.05
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×550C: 25.607 – 49.518
HC: -0.185 – 9.800
H: -0.994 – 6.506
600 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3007
sparky, xeasy
2944
sparky, xeasy
97.90
13 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 101.678 – 134.458
C: 43.650 – 73.595
HN: 4.811 – 11.797
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
267
sparky, xeasy
240
sparky, xeasy
89.89
14 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.260 – 133.147
C: 168.790 – 188.747
HN: 4.807 – 11.767
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
157
sparky, xeasy
140
sparky, xeasy
89.17
15 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.225 – 133.111
C: 168.790 – 188.747
HN: 4.798 – 11.758
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
267
sparky, xeasy
239
sparky, xeasy
89.51
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048N: 103.140 – 133.108
H: -2.178 – 11.762
800 8.00 N–H: spectrum, spectrum with peaks 246
sparky, xeasy
147
sparky, xeasy
59.76
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 103.263 – 133.143
HN: 4.804 – 11.764
H: -0.936 – 10.539
800 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4412
sparky, xeasy
3406
sparky, xeasy
77.20

2KKZ (140 residues, PDB, BMRB, 2009)

Reference:
Aramini, J.M., Ma, L., Lee, H., Zhao, L., Cunningham, K., Ciccosanti, C., Janjua, H., Fang, Y., Xiao, R., Krug, R.M., Montelione, G.T. Solution NMR structure of the monomeric W187R mutant of A/Udorn NS1 effector domain. Northeast Structural Genomics target OR8C[W187R]. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 4.327 – 79.254
H: -2.178 – 11.794
600 8.00 C–H: spectrum, spectrum with peaks 642
sparky, xeasy
612
sparky, xeasy
95.33
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 112.807 – 142.778
H: 4.823 – 11.789
800 4.00 C–H: spectrum, spectrum with peaks 58
sparky, xeasy
44
sparky, xeasy
75.86
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×551×440C: 19.914 – 89.778
HC: -0.999 – 6.492
H: -1.004 – 11.000
800 484.30 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
13793
sparky, xeasy
13145
sparky, xeasy
95.30
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512×512C: 112.837 – 142.778
HC: 4.820 – 11.780
H: -0.668 – 10.311
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
700
sparky, xeasy
658
sparky, xeasy
94.00
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.246 – 132.136
C: 4.246 – 79.100
HN: 4.824 – 11.784
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
509
sparky, xeasy
471
sparky, xeasy
92.53
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 101.269 – 135.136
C: 4.466 – 79.319
HN: 4.822 – 11.782
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
294
sparky, xeasy
276
sparky, xeasy
93.88
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×1024C1: 31.848 – 55.754
C2: 9.109 – 78.836
H1: -2.176 – 11.789
600 256.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2326
sparky, xeasy
2240
sparky, xeasy
96.30
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024C: 29.897 – 53.804
HC: -0.798 – 6.685
H: -2.149 – 11.784
800 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2338
sparky, xeasy
2220
sparky, xeasy
94.95
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024C: 31.848 – 55.754
HC: -0.061 – 6.427
H: -2.178 – 11.787
600 512.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3396
sparky, xeasy
3260
sparky, xeasy
96.00
10 HNCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.278 – 132.169
C: 40.807 – 72.807
HN: 4.824 – 11.784
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
263
sparky, xeasy
246
sparky, xeasy
93.54
11 HNCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.246 – 132.136
C: 167.832 – 189.789
HN: 4.824 – 11.784
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
151
sparky, xeasy
141
sparky, xeasy
93.38
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.246 – 132.136
C: 167.806 – 189.763
HN: 4.824 – 11.784
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
263
sparky, xeasy
242
sparky, xeasy
92.02
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×512×512N: 104.246 – 132.136
C: 40.833 – 72.781
HN: 4.878 – 11.838
800 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
131
sparky, xeasy
123
sparky, xeasy
93.89
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×2048N: 103.174 – 133.145
H: -2.171 – 11.801
600 8.00 N–H: spectrum, spectrum with peaks 212
sparky, xeasy
147
sparky, xeasy
69.34
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×512×440N: 104.342 – 135.051
HN: 4.834 – 11.794
H: -1.004 – 11.000
800 221.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4174
sparky, xeasy
3494
sparky, xeasy
83.71

1VDY (140 residues, PDB, BMRB, 2004)

Reference:
Lopez-Mendez, B., Pantoja-Uceda, D., Tomizawa, T., Koshiba, S., Kigawa, T., Shirouzu, M., Terada, T., Inoue, M., Yabuki, T., Aoki, M., Seki, E., Matsuda, T., Hirota, H., Yoshida, M., Tanaka, A., Osanai, T., Seki, M., Shinozaki, K., Yokoyama, S., Guntert, P. Solution structure of the hypothetical ENTH-VHS domain AT3G16270 from arabidopsis thaliana. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC
ucsf, pipe, .3D.16, .3D.param
512×1322C: 3.315 – 46.456
H: -0.998 – 8.000
800 2.58 C–H: spectrum, spectrum with peaks 685
sparky, xeasy
646
sparky, xeasy
94.31
2 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×1248×800C: 3.568 – 46.456
HC: -0.498 – 7.996
H: -0.786 – 10.200
800 487.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
14979
sparky, xeasy
13765
sparky, xeasy
91.90
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×572N: 106.440 – 128.439
C: -0.093 – 74.590
HN: 6.295 – 10.193
600 71.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
520
sparky, xeasy
471
sparky, xeasy
90.58
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 106.440 – 128.439
C: 0.229 – 74.913
HN: 6.293 – 10.198
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
288
sparky, xeasy
260
sparky, xeasy
90.28
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1026C1: 3.606 – 46.492
C2: -20.798 – 70.845
H1: -0.996 – 6.002
600 128.25 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2267
sparky, xeasy
2176
sparky, xeasy
95.99
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 106.440 – 128.440
C: 0.142 – 74.825
HN: 6.288 – 10.193
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
451
sparky, xeasy
418
sparky, xeasy
92.68
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×572×256N: 106.440 – 128.439
HN: 6.295 – 10.193
H: -0.958 – 10.397
600 71.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
365
sparky, xeasy
327
sparky, xeasy
89.59
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×629×1105C: 3.572 – 46.458
HC: -0.991 – 6.000
H: -0.998 – 5.999
600 339.38 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2353
sparky, xeasy
2221
sparky, xeasy
94.39
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×629×1105C: 3.572 – 46.458
HC: -0.981 – 6.010
H: -0.990 – 6.007
600 339.38 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3443
sparky, xeasy
3279
sparky, xeasy
95.24
10 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×210×405C: 111.479 – 137.829
HC: 6.311 – 8.012
H: 6.312 – 8.010
600 41.53 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
182
sparky, xeasy
161
sparky, xeasy
88.46
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 106.440 – 128.439
H: -0.960 – 10.395
HN: 6.285 – 10.190
600 71.63 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
664
sparky, xeasy
608
sparky, xeasy
91.57
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×572N: 106.440 – 128.439
C: 35.765 – 67.720
HN: 6.297 – 10.195
600 71.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
269
sparky, xeasy
241
sparky, xeasy
89.59
13 HNCO
ucsf, pipe, .3D.16, .3D.param
128×256×573N: 106.457 – 128.457
C: 161.595 – 183.602
HN: 6.291 – 10.196
600 71.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
148
sparky, xeasy
118
sparky, xeasy
79.73
14 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×256×572N: 106.423 – 128.422
C: 161.595 – 183.602
HN: 6.292 – 10.190
600 71.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
269
sparky, xeasy
236
sparky, xeasy
87.73
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×256×572N: 106.423 – 128.422
C: 35.777 – 67.733
HN: 6.292 – 10.190
600 71.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
134
sparky, xeasy
120
sparky, xeasy
89.55
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×574N: 106.310 – 128.439
H: 6.298 – 10.201
800 1.12 N–H: spectrum, spectrum with peaks 216
sparky, xeasy
135
sparky, xeasy
62.50
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×574×800N: 106.440 – 128.439
HN: 6.298 – 10.201
H: -1.583 – 11.002
800 224.22 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4492
sparky, xeasy
3476
sparky, xeasy
77.38

2KKL (140 residues, PDB, BMRB, 2009)

Reference:
Yang, Y., Ramelot, T.A., Wang, D., Foote, E.L., Jiang, M., Nair, R., Rost, B., Swapna, G., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155). To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
481×513C: 0.000 – 75.000
H: -1.991 – 7.001
600 1.19 C–H: spectrum, spectrum with peaks 570
sparky, xeasy
561
sparky, xeasy
98.42
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×478C: 111.394 – 141.335
H: 5.005 – 11.994
850 1.04 C–H: spectrum, spectrum with peaks 62
sparky, xeasy
44
sparky, xeasy
70.97
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×486×512C: 9.073 – 78.800
HC: -0.996 – 7.497
H: -2.173 – 11.800
850 247.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8762
sparky, xeasy
8407
sparky, xeasy
95.95
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×124×227C: 115.503 – 141.300
HC: 6.429 – 8.582
H: -0.942 – 11.417
850 15.47 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
430
sparky, xeasy
325
sparky, xeasy
75.58
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×343N: 104.164 – 133.930
C: 11.547 – 81.000
HN: 6.000 – 12.006
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
509
sparky, xeasy
487
sparky, xeasy
95.68
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×400N: 104.164 – 133.930
C: 11.547 – 81.000
HN: 4.998 – 12.006
600 25.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
298
sparky, xeasy
284
sparky, xeasy
95.30
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 8.282 – 78.016
C2: 8.203 – 77.930
H1: -1.001 – 6.498
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1934
sparky, xeasy
1916
sparky, xeasy
99.07
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.666 – 9.658
H2: -0.447 – 6.496
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4102
sparky, xeasy
4075
sparky, xeasy
99.34
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×314N: 104.047 – 133.930
C: 11.547 – 81.000
HN: 5.502 – 10.999
600 40.38 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
442
sparky, xeasy
424
sparky, xeasy
95.93
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×371×256N: 104.164 – 133.930
HN: 5.508 – 12.006
H: -0.169 – 5.808
600 48.88 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
353
sparky, xeasy
339
sparky, xeasy
96.03
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×428C: 8.357 – 78.081
HC: -0.669 – 6.277
H: -0.990 – 6.509
600 55.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1974
sparky, xeasy
1947
sparky, xeasy
98.63
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×542C: 8.352 – 78.086
HC: -0.669 – 6.304
H: -1.991 – 7.510
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2766
sparky, xeasy
2739
sparky, xeasy
99.02
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 104.047 – 133.930
H: -0.884 – 6.558
HN: 5.502 – 12.001
600 48.88 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
624
sparky, xeasy
598
sparky, xeasy
95.83
14 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×400N: 104.164 – 133.930
C: 41.467 – 71.002
HN: 4.998 – 12.006
600 12.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
267
sparky, xeasy
256
sparky, xeasy
95.88
15 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×400N: 104.164 – 133.930
C: 165.766 – 182.500
HN: 4.993 – 12.001
600 12.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
155
sparky, xeasy
147
sparky, xeasy
94.84
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×400N: 104.164 – 133.930
C: 41.467 – 71.002
HN: 4.998 – 12.006
600 12.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
133
sparky, xeasy
128
sparky, xeasy
96.24
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×401N: 104.152 – 134.035
H: 4.993 – 11.997
850 0.49 N–H: spectrum, spectrum with peaks 213
sparky, xeasy
156
sparky, xeasy
73.24
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×444×256N: 104.305 – 134.070
HN: 5.503 – 11.994
H: -1.401 – 11.050
850 57.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3074
sparky, xeasy
2490
sparky, xeasy
81.00

2N4B (142 residues, PDB, BMRB, 2015)

Reference:
Tang, Y., Huang, Y.J., Hopf, T.A., Sander, C., Marks, D.S., Montelione, G.T. (2015). Protein structure determination by combining sparse NMR data with evolutionary couplings. Nat Methods 12: 751-754

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×547C: 6.019 – 85.706
H: -1.696 – 6.304
850 0.60 C–H: spectrum, spectrum with peaks 575
sparky, xeasy
560
sparky, xeasy
97.39
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×228C: 108.033 – 142.000
H: 5.008 – 8.995
600 0.98 C–H: spectrum, spectrum with peaks 89
sparky, xeasy
74
sparky, xeasy
83.15
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×444×256C: 11.975 – 75.725
HC: -0.495 – 5.996
H: -0.975 – 10.580
850 114.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
10581
sparky, xeasy
10211
sparky, xeasy
96.50
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×206×256C: 111.534 – 141.300
HC: 5.498 – 8.502
H: -1.024 – 10.630
850 27.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
872
sparky, xeasy
813
sparky, xeasy
93.23
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×428N: 105.511 – 132.300
C: 14.250 – 78.000
HN: 3.001 – 10.500
600 55.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
532
sparky, xeasy
512
sparky, xeasy
96.24
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×428N: 105.511 – 132.300
C: 14.500 – 78.000
HN: 3.001 – 10.500
600 27.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
313
sparky, xeasy
305
sparky, xeasy
97.44
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×853C1: 10.327 – 76.070
C2: 10.327 – 76.070
H1: -1.009 – 6.491
600 214.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1882
sparky, xeasy
1852
sparky, xeasy
98.41
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4753
sparky, xeasy
4740
sparky, xeasy
99.73
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428N: 105.406 – 132.300
C: 13.258 – 79.000
HN: 3.001 – 10.500
600 110.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
457
sparky, xeasy
449
sparky, xeasy
98.25
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×428×256N: 105.406 – 132.300
HN: 3.001 – 10.500
H: 0.397 – 6.374
600 110.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
359
sparky, xeasy
347
sparky, xeasy
96.66
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×542C: 10.267 – 77.998
HC: -0.681 – 6.292
H: -1.994 – 7.507
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2787
sparky, xeasy
2742
sparky, xeasy
98.39
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×428N: 105.511 – 132.300
C: 166.294 – 181.955
HN: 3.001 – 10.500
600 14.91 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
161
sparky, xeasy
157
sparky, xeasy
97.52
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×428N: 105.511 – 132.300
C: 41.164 – 70.930
HN: 3.001 – 10.500
600 27.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
137
sparky, xeasy
133
sparky, xeasy
97.08
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×512N: 105.429 – 132.403
H: 2.998 – 10.486
850 2.00 N–H: spectrum, spectrum with peaks 217
sparky, xeasy
168
sparky, xeasy
77.42
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×481×256N: 105.637 – 132.427
HN: 2.996 – 10.488
H: -1.173 – 10.780
850 63.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3917
sparky, xeasy
3468
sparky, xeasy
88.54

2L8V (143 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Yang, Y., Cort, J.R., Lee, D., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the phycobilisome linker polypeptide domain of CpcC (20-153) from Thermosynechococcus elongatus, Northeast Structural Genomics Consortium Target TeR219A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×401C: 10.164 – 76.035
H: -0.999 – 6.006
850 0.88 C–H: spectrum, spectrum with peaks 615
sparky, xeasy
494
sparky, xeasy
80.33
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×429×256C: 10.690 – 76.413
HC: -0.994 – 6.501
H: -1.175 – 10.782
850 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
10300
sparky, xeasy
8562
sparky, xeasy
83.13
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×151×454C: 112.209 – 141.979
HC: 6.198 – 8.825
H: -0.073 – 10.547
850 36.56 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
666
sparky, xeasy
377
sparky, xeasy
56.61
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 104.704 – 131.493
C: 15.502 – 77.018
HN: 5.495 – 10.500
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
540
sparky, xeasy
401
sparky, xeasy
74.26
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 104.704 – 131.493
C: 15.502 – 77.018
HN: 5.495 – 10.500
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
305
sparky, xeasy
222
sparky, xeasy
72.79
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×839C1: 8.436 – 78.166
C2: 8.438 – 78.164
H1: -1.007 – 6.493
600 214.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2121
sparky, xeasy
1716
sparky, xeasy
80.91
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.612 – 33.991
C2: 13.936 – 33.991
H1: -0.487 – 6.462
H2: -3.716 – 9.649
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4654
sparky, xeasy
3996
sparky, xeasy
85.86
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×314×256N: 104.704 – 131.493
HN: 5.484 – 10.981
H: 0.561 – 6.538
600 40.38 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
378
sparky, xeasy
276
sparky, xeasy
73.02
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C: 8.357 – 78.081
HC: -0.182 – 5.795
H: -0.998 – 6.501
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2195
sparky, xeasy
1722
sparky, xeasy
78.45
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×542C: 8.374 – 78.108
HC: -0.182 – 5.795
H: -1.994 – 7.507
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3085
sparky, xeasy
2438
sparky, xeasy
79.03
11 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 104.704 – 131.493
C: 41.243 – 71.009
HN: 5.495 – 10.500
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
277
sparky, xeasy
207
sparky, xeasy
74.73
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×280N: 104.704 – 131.493
C: 168.251 – 183.911
HN: 5.595 – 10.495
600 8.75 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
156
sparky, xeasy
110
sparky, xeasy
70.51
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 104.704 – 131.493
C: 41.243 – 71.009
HN: 5.495 – 10.500
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
138
sparky, xeasy
103
sparky, xeasy
74.64
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×315N: 104.613 – 131.587
H: 5.487 – 10.986
850 1.37 N–H: spectrum, spectrum with peaks 222
sparky, xeasy
119
sparky, xeasy
53.60
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×377×256N: 104.700 – 131.595
HN: 5.489 – 10.999
H: -0.658 – 11.296
850 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3789
sparky, xeasy
2628
sparky, xeasy
69.36

2LGH (144 residues, PDB, BMRB, 2011)

Reference:
Ramelot, T.A., Yang, Y., Cort, J.R., Wang, D., Ciccosanti, C., Janjua, H., Rajesh, N., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the AHSA1-like protein AHA_2358 from Aeromonas hydrophila refined with NH RDCs. Northeast Structural Genomics Consortium Target AhR99. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×581C: 2.894 – 82.581
H: -0.993 – 7.505
850 0.63 C–H: spectrum, spectrum with peaks 551
sparky, xeasy
534
sparky, xeasy
96.91
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×386C: 110.081 – 139.966
H: 4.999 – 11.008
850 0.47 C–H: spectrum, spectrum with peaks 101
sparky, xeasy
66
sparky, xeasy
65.35
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×512×256C: 11.812 – 75.688
HC: -0.993 – 6.494
H: -1.421 – 11.030
850 256.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
10771
sparky, xeasy
10071
sparky, xeasy
93.50
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×342×256C: 111.380 – 141.267
HC: 5.000 – 9.996
H: -1.422 – 11.030
850 89.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1612
sparky, xeasy
1138
sparky, xeasy
70.60
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 104.851 – 132.235
C: 14.500 – 78.000
HN: 5.014 – 11.002
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
534
sparky, xeasy
512
sparky, xeasy
95.88
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 104.851 – 132.235
C: 14.500 – 78.000
HN: 5.014 – 11.002
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
306
sparky, xeasy
294
sparky, xeasy
96.08
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C1: 4.684 – 70.426
C2: 4.684 – 70.426
H1: -1.009 – 5.981
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1705
sparky, xeasy
1647
sparky, xeasy
96.60
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
4427
sparky, xeasy
4312
sparky, xeasy
97.40
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×342N: 104.851 – 132.235
C: 13.232 – 78.974
HN: 5.014 – 11.002
600 44.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
430
sparky, xeasy
416
sparky, xeasy
96.74
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×342×128N: 104.851 – 132.235
HN: 5.014 – 11.002
H: 0.561 – 6.514
600 22.31 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
365
sparky, xeasy
351
sparky, xeasy
96.16
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C: 10.258 – 76.000
HC: -0.681 – 6.292
H: -0.993 – 6.506
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1883
sparky, xeasy
1815
sparky, xeasy
96.39
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C: 10.267 – 77.998
HC: -0.672 – 6.300
H: -0.993 – 6.506
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2491
sparky, xeasy
2415
sparky, xeasy
96.95
13 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 104.851 – 132.235
C: 41.164 – 70.930
HN: 5.014 – 11.002
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
279
sparky, xeasy
268
sparky, xeasy
96.06
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 104.851 – 132.235
C: 168.126 – 183.911
HN: 5.014 – 11.002
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
159
sparky, xeasy
148
sparky, xeasy
93.08
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×342N: 104.851 – 132.235
C: 41.164 – 70.930
HN: 5.014 – 11.002
600 22.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
139
sparky, xeasy
134
sparky, xeasy
96.40
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×385N: 103.082 – 132.964
H: 5.004 – 11.012
600 0.47 N–H: spectrum, spectrum with peaks 216
sparky, xeasy
168
sparky, xeasy
77.78
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×343×512N: 104.841 – 132.331
HN: 5.008 – 10.997
H: -1.446 – 11.030
850 175.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4016
sparky, xeasy
3455
sparky, xeasy
86.03

2K1S (149 residues, PDB, BMRB, 2008)

Reference:
Ramelot, T.A., Zhao, L., Hamilton, K., Maglaqui, M., Xiao, R., Liu, J., Baran, M.C., Swapna, G., Acton, T.B., Rost, B., Montelione, G.T., Kennedy, M.A., Solution NMR structure of the folded C-terminal fragment of YiaD from Escherichia coli. Northeast Structural Genomics Consortium target ER553. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×400C: 0.203 – 80.047
H: -0.525 – 6.489
600 0.78 C–H: spectrum, spectrum with peaks 622
sparky, xeasy
613
sparky, xeasy
98.55
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×286C: 110.059 – 140.000
H: 4.993 – 10.003
600 0.62 C–H: spectrum, spectrum with peaks 35
sparky, xeasy
19
sparky, xeasy
54.29
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×439×256C: 31.066 – 54.972
HC: -1.493 – 6.206
H: -0.657 – 10.300
600 114.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12059
sparky, xeasy
11542
sparky, xeasy
95.71
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×225×256C: 115.078 – 135.000
HC: 4.997 – 9.009
H: -1.650 – 11.301
600 59.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
347
sparky, xeasy
214
sparky, xeasy
61.67
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×286N: 97.165 – 138.999
C: 11.547 – 81.000
HN: 4.999 – 10.009
600 36.13 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
337
sparky, xeasy
321
sparky, xeasy
95.25
6 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×32×128×1024C1: 13.617 – 33.986
C2: 13.940 – 33.986
H1: -0.449 – 6.494
H2: -3.660 – 9.663
600 1024.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
5354
sparky, xeasy
5327
sparky, xeasy
99.50
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×343N: 97.165 – 138.999
C: 15.531 – 75.063
HN: 5.004 – 11.016
600 44.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
501
sparky, xeasy
483
sparky, xeasy
96.41
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×343×256N: 97.165 – 138.999
HN: 4.993 – 11.005
H: 0.323 – 6.300
600 89.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
370
sparky, xeasy
358
sparky, xeasy
96.76
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×428C: 31.122 – 55.028
HC: -0.669 – 6.277
H: -1.001 – 6.505
600 55.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2178
sparky, xeasy
2151
sparky, xeasy
98.76
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×428C: 31.122 – 55.028
HC: -0.669 – 6.277
H: -1.001 – 6.505
600 55.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3094
sparky, xeasy
3067
sparky, xeasy
99.13
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×400N: 97.329 – 138.999
H: -0.669 – 6.277
HN: 4.993 – 12.007
600 25.00 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
709
sparky, xeasy
681
sparky, xeasy
96.05
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 97.329 – 138.999
C: 41.328 – 70.859
HN: 4.999 – 10.009
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
285
sparky, xeasy
276
sparky, xeasy
96.84
13 HNCO
ucsf, pipe, .3D.16, .3D.param
256×256×343N: 97.164 – 139.000
C: 165.586 – 182.520
HN: 4.993 – 11.005
600 89.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
174
sparky, xeasy
136
sparky, xeasy
78.16
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 97.329 – 138.999
C: 41.469 – 71.000
HN: 4.993 – 10.003
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
142
sparky, xeasy
138
sparky, xeasy
97.18
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×496N: 97.164 – 139.000
H: 4.999 – 10.800
600 0.48 N–H: spectrum, spectrum with peaks 233
sparky, xeasy
175
sparky, xeasy
75.11
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×285×256N: 97.165 – 138.999
HN: 5.498 – 10.490
H: -0.657 – 10.300
600 72.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4206
sparky, xeasy
3537
sparky, xeasy
84.09

2M4F (151 residues, PDB, BMRB, 2013)

Reference:
Bhattacharjee, A., Oeemig, J.S., Kolodziejczyk, R., Meri, T., Kajander, T., Lehtinen, M.J., Iwai, H., Jokiranta, T.S., Goldman, A. (2013). Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi. J Biol Chem 288: 18685-18695

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1024×2048C: 6.096 – 78.119
H: -1.175 – 10.696
800 8.00 C–H: spectrum, spectrum with peaks 687
sparky, xeasy
633
sparky, xeasy
92.14
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
1024×1024C: 106.374 – 156.045
H: 4.779 – 10.712
800 4.00 C–H: spectrum, spectrum with peaks 68
sparky, xeasy
35
sparky, xeasy
51.47
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×2048×1024C: 3.415 – 83.101
HC: -1.489 – 11.031
H: -1.472 – 11.018
800 2048.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9908
sparky, xeasy
8944
sparky, xeasy
90.27
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 96.652 – 136.004
C: 13.174 – 92.858
HN: 4.775 – 11.442
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
574
sparky, xeasy
572
sparky, xeasy
99.65
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 95.866 – 136.859
C: 8.371 – 78.097
HN: 4.767 – 11.433
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
338
sparky, xeasy
330
sparky, xeasy
97.63
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 96.635 – 135.988
C: 3.314 – 83.158
HN: 4.770 – 11.436
600 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
523
sparky, xeasy
510
sparky, xeasy
97.51
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×1024×256N: 96.620 – 135.972
HN: 4.768 – 11.434
H: -2.685 – 12.270
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
399
sparky, xeasy
388
sparky, xeasy
97.24
8 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×2048C: -4.554 – 75.133
HC: -1.461 – 11.017
H: -1.482 – 11.015
800 1024.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2559
sparky, xeasy
2239
sparky, xeasy
87.50
9 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×368×1472C: -4.586 – 75.102
HC: -1.471 – 7.491
H: -1.480 – 7.500
800 537.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3867
sparky, xeasy
3315
sparky, xeasy
85.73
10 HNCA
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 95.625 – 136.618
C: 40.221 – 70.103
HN: 4.762 – 11.429
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
301
sparky, xeasy
300
sparky, xeasy
99.67
11 HNCO
ucsf, pipe, .3D.16, .3D.param
128×256×1024N: 96.806 – 136.003
C: 161.685 – 186.595
HN: 4.766 – 11.432
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
176
sparky, xeasy
150
sparky, xeasy
85.23
12 HNcaCO
ucsf, pipe, .3D.16, .3D.param
256×256×1024N: 96.636 – 135.988
C: 161.684 – 186.597
HN: 4.769 – 11.435
600 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
301
sparky, xeasy
300
sparky, xeasy
99.67
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×1024N: 96.620 – 135.972
C: 41.363 – 71.128
HN: 4.768 – 11.434
600 128.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
150
sparky, xeasy
150
sparky, xeasy
100.00
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 97.657 – 138.769
H: 4.758 – 12.257
600 4.00 N–H: spectrum, spectrum with peaks 207
sparky, xeasy
174
sparky, xeasy
84.06
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
256×1024×2048N: 96.452 – 135.776
HN: 4.770 – 11.015
H: -2.741 – 12.279
800 2048.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3052
sparky, xeasy
2698
sparky, xeasy
88.40
16 N15TOCSY
ucsf, pipe, .3D.16, .3D.param
256×1024×256N: 96.682 – 136.034
HN: 4.770 – 11.436
H: -2.692 – 12.265
600 256.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
945
sparky, xeasy
743
sparky, xeasy
78.62

2JXP (155 residues, PDB, BMRB, 2007)

Reference:
Rossi, P., Xiao, R., Acton, T.B., Montelione, G.T. Solution NMR structure of uncharacterized lipoprotein B from Nitrosomonas europaea. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×479C: 8.356 – 83.169
H: -0.499 – 6.012
800 1.04 C–H: spectrum, spectrum with peaks 708
sparky, xeasy
651
sparky, xeasy
91.95
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×512C: 112.794 – 142.685
H: 4.750 – 11.710
800 0.50 C–H: spectrum, spectrum with peaks 55
sparky, xeasy
31
sparky, xeasy
56.36
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×474×385C: 19.953 – 89.675
HC: -0.256 – 6.187
H: -0.506 – 9.990
800 185.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8711
sparky, xeasy
7864
sparky, xeasy
90.28
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 106.242 – 132.044
C: 4.716 – 79.201
HN: 4.727 – 11.687
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
594
sparky, xeasy
553
sparky, xeasy
93.10
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 106.255 – 132.052
C: 4.517 – 79.185
HN: 4.726 – 11.701
600 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
336
sparky, xeasy
312
sparky, xeasy
92.86
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×479C1: 29.859 – 53.668
C2: 4.449 – 79.115
H1: -0.510 – 6.000
800 61.63 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2604
sparky, xeasy
2383
sparky, xeasy
91.51
7 CCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×128×224C1: 112.909 – 142.683
C2: 112.949 – 142.723
H1: 5.757 – 7.937
800 16.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
167
sparky, xeasy
91
sparky, xeasy
54.49
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×512×128N: 106.136 – 132.040
HN: 4.740 – 11.700
H: 1.011 – 5.973
800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
402
sparky, xeasy
372
sparky, xeasy
92.54
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×478C: 33.891 – 57.701
HC: -0.194 – 5.782
H: -0.492 – 6.005
800 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2592
sparky, xeasy
2337
sparky, xeasy
90.16
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×478C: 29.853 – 53.663
HC: -0.198 – 5.755
H: -0.499 – 5.998
800 30.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3786
sparky, xeasy
3403
sparky, xeasy
89.88
11 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×75×224C: 112.948 – 142.722
HC: 6.084 – 8.975
H: 5.748 – 7.929
800 9.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
167
sparky, xeasy
91
sparky, xeasy
54.49
12 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 106.244 – 132.046
C: 41.782 – 71.657
HN: 4.737 – 11.697
800 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
303
sparky, xeasy
285
sparky, xeasy
94.06
13 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 106.254 – 132.056
C: 168.847 – 188.687
HN: 4.732 – 11.692
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
171
sparky, xeasy
142
sparky, xeasy
83.04
14 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 106.250 – 132.052
C: 168.847 – 188.687
HN: 4.738 – 11.698
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
303
sparky, xeasy
284
sparky, xeasy
93.73
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×324N: 106.252 – 132.054
C: 41.878 – 71.636
HN: 5.936 – 10.335
800 24.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
151
sparky, xeasy
142
sparky, xeasy
94.04
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×512N: 106.151 – 132.049
H: 4.735 – 11.695
800 0.50 N–H: spectrum, spectrum with peaks 254
sparky, xeasy
162
sparky, xeasy
63.78
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×385N: 104.268 – 135.026
HN: 4.724 – 11.684
H: -0.509 – 9.987
800 102.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3007
sparky, xeasy
2240
sparky, xeasy
74.49

2L06 (155 residues, PDB, BMRB, 2010)

Reference:
Ramelot, T.A., Yang, Y., Cort, J.R., Hamilton, K., Ciccosanti, C., Lee, D., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the PBS linker polypeptide domain of phycobilisome linker protein apcE from Synechocystis sp. Northeast Structural Genomics Consortium Target SgR209C. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×578C: 3.909 – 83.753
H: -2.005 – 7.001
850 1.27 C–H: spectrum, spectrum with peaks 695
sparky, xeasy
646
sparky, xeasy
92.95
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×450×256C: 9.954 – 74.700
HC: -1.006 – 6.002
H: -0.558 – 10.200
850 119.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12328
sparky, xeasy
11326
sparky, xeasy
91.87
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×240×256C: 116.267 – 138.908
HC: 5.508 – 9.010
H: -0.644 – 10.313
850 15.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1069
sparky, xeasy
716
sparky, xeasy
66.98
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×285N: 102.426 – 131.805
C: 9.086 – 83.500
HN: 5.503 – 10.497
500 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
577
sparky, xeasy
529
sparky, xeasy
91.68
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×285N: 102.426 – 131.805
C: 9.086 – 83.500
HN: 5.498 – 10.492
500 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
337
sparky, xeasy
305
sparky, xeasy
90.50
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C1: 8.470 – 78.204
C2: 8.456 – 78.182
H1: -1.000 – 6.499
600 110.50 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2466
sparky, xeasy
2331
sparky, xeasy
94.53
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×399N: 102.426 – 131.805
C: 9.086 – 83.500
HN: 4.983 – 11.981
500 25.50 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
515
sparky, xeasy
475
sparky, xeasy
92.23
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×285×256N: 102.426 – 131.805
HN: 5.498 – 10.492
H: -1.197 – 6.772
500 36.13 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
405
sparky, xeasy
368
sparky, xeasy
90.86
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×243×371C: 8.507 – 78.231
HC: -0.179 – 5.493
H: -1.006 – 5.492
600 97.37 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2597
sparky, xeasy
2410
sparky, xeasy
92.80
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×542C: 8.452 – 78.186
HC: -0.179 – 5.798
H: -2.007 – 7.495
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3737
sparky, xeasy
3506
sparky, xeasy
93.82
11 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×285N: 102.310 – 131.805
H: -1.206 – 6.763
HN: 5.488 – 10.481
500 72.25 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
765
sparky, xeasy
690
sparky, xeasy
90.20
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×367N: 101.455 – 132.792
C: 166.294 – 181.955
HN: 5.493 – 10.497
500 12.66 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
172
sparky, xeasy
148
sparky, xeasy
86.05
13 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×285N: 102.426 – 131.805
C: 41.233 – 71.002
HN: 5.493 – 10.487
500 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
148
sparky, xeasy
136
sparky, xeasy
91.89
14 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×367N: 87.621 – 146.610
H: 5.489 – 10.495
500 0.44 N–H: spectrum, spectrum with peaks 249
sparky, xeasy
166
sparky, xeasy
66.67
15 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×321×256N: 102.531 – 131.900
HN: 5.512 – 10.506
H: -0.644 – 10.313
850 42.50 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4335
sparky, xeasy
3410
sparky, xeasy
78.66

2LAH (160 residues, PDB, BMRB, 2011)

Reference:
Liu, G., Shastry, R., Ciccosanti, C., Hamilton, K., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T. Northeast Structural Genomics Consortium Target HR5460A. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×491×470C: 20.261 – 88.522
HC: -0.763 – 5.912
H: -1.028 – 11.796
800 120.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
10687
sparky, xeasy
10019
sparky, xeasy
93.75
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×173×486C: 112.639 – 142.886
HC: 5.840 – 8.183
H: -1.009 – 11.305
800 24.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1375
sparky, xeasy
1221
sparky, xeasy
88.80
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 104.834 – 130.958
C: 13.761 – 83.221
HN: 4.790 – 10.782
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
598
sparky, xeasy
523
sparky, xeasy
87.46
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 104.834 – 130.958
C: 13.821 – 83.281
HN: 4.792 – 10.783
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
382
sparky, xeasy
342
sparky, xeasy
89.53
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024C1: 29.701 – 53.513
C2: 4.297 – 79.004
H1: -2.168 – 11.766
800 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2417
sparky, xeasy
2319
sparky, xeasy
95.95
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 104.834 – 130.958
C: 9.270 – 88.232
HN: 4.792 – 11.866
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
572
sparky, xeasy
522
sparky, xeasy
91.26
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 104.834 – 130.958
HN: 4.792 – 11.866
H: -0.164 – 9.764
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
430
sparky, xeasy
375
sparky, xeasy
87.21
8 HCCHTOCSY (aromatic)
ucsf, pipe, .3D.16, .3D.param
64×128×1024C: 112.098 – 143.598
HC: 3.095 – 10.040
H: -2.161 – 11.773
800 32.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
376
sparky, xeasy
349
sparky, xeasy
92.82
9 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1024N: 103.063 – 132.007
H: 4.803 – 11.770
800 2.00 N–H: spectrum, spectrum with peaks 250
sparky, xeasy
176
sparky, xeasy
70.40
10 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×496×451N: 102.933 – 133.240
HN: 4.251 – 10.993
H: -1.029 – 11.276
800 116.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3657
sparky, xeasy
2960
sparky, xeasy
80.94

2LAK (160 residues, PDB, BMRB, 2011)

Reference:
Yang, Y., Ramelot, T.A., Cort, J.R., Wang, D., Ciccosanti, C., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the AHSA1-like protein RHE_CH02687 (1-152) from Rhizobium etli, Northeast Structural Genomics Consortium Target ReR242. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×492C: 6.130 – 85.783
H: -0.993 – 6.201
850 0.48 C–H: spectrum, spectrum with peaks 675
sparky, xeasy
632
sparky, xeasy
93.63
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×478×256C: 12.053 – 75.797
HC: -0.993 – 5.996
H: -1.422 – 11.030
850 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
10771
sparky, xeasy
9998
sparky, xeasy
92.82
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×342×256C: 111.416 – 141.301
HC: 5.000 – 9.996
H: -1.421 – 11.030
850 89.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
769
sparky, xeasy
542
sparky, xeasy
70.48
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.045 – 132.932
C: 11.711 – 81.164
HN: 6.002 – 11.020
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
551
sparky, xeasy
502
sparky, xeasy
91.11
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.045 – 132.932
C: 11.711 – 81.164
HN: 5.996 – 11.014
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
287
sparky, xeasy
259
sparky, xeasy
90.24
6 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C1: 4.838 – 70.581
C2: 4.838 – 70.581
H1: -1.003 – 5.987
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2275
sparky, xeasy
2134
sparky, xeasy
93.80
7 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×64×1024×128C1: 13.617 – 33.987
C2: 13.617 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 2048.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
5167
sparky, xeasy
4924
sparky, xeasy
95.30
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×513N: 103.162 – 132.932
C: 6.814 – 86.186
HN: 6.006 – 11.004
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
442
sparky, xeasy
398
sparky, xeasy
90.05
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×343×128N: 103.162 – 132.932
HN: 5.996 – 11.004
H: 0.561 – 6.514
600 22.31 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
386
sparky, xeasy
351
sparky, xeasy
90.93
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×513C: 8.340 – 78.070
HC: -0.680 – 6.292
H: -1.000 – 6.498
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2421
sparky, xeasy
2256
sparky, xeasy
93.18
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×513C: 8.272 – 78.002
HC: -0.672 – 6.300
H: -0.996 – 6.502
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3363
sparky, xeasy
3144
sparky, xeasy
93.49
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×343N: 103.162 – 132.932
H: -1.179 – 6.789
HN: 6.000 – 11.009
600 44.63 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
638
sparky, xeasy
572
sparky, xeasy
89.66
13 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.045 – 132.932
C: 41.165 – 70.929
HN: 5.996 – 11.014
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
293
sparky, xeasy
268
sparky, xeasy
91.47
14 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.045 – 132.932
C: 166.236 – 185.956
HN: 6.002 – 11.020
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
152
sparky, xeasy
134
sparky, xeasy
88.16
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×258N: 103.045 – 132.932
C: 41.235 – 70.999
HN: 5.996 – 11.014
600 34.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
146
sparky, xeasy
134
sparky, xeasy
91.78
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×386N: 103.023 – 133.036
H: 4.999 – 11.008
850 0.84 N–H: spectrum, spectrum with peaks 229
sparky, xeasy
146
sparky, xeasy
63.76
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×386×256N: 103.234 – 133.001
HN: 5.003 – 11.012
H: -1.422 – 11.030
850 51.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3610
sparky, xeasy
2733
sparky, xeasy
75.71

2L82 (162 residues, PDB, BMRB, 2010)

Reference:
Liu, G., Koga, N., Koga, R., Xiao, R., Hamilton, K., Janjua, H., Tong, S., Acton, T.B., Everett, J., Baker, D., Montelione, G.T. Northeast Structural Genomics Consortium Target OR32. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×584×472C: 19.953 – 89.406
HC: -2.251 – 5.689
H: -1.724 – 11.155
800 142.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
11465
sparky, xeasy
10921
sparky, xeasy
95.26
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
44×224×512C: 113.149 – 133.305
HC: 5.111 – 8.148
H: -1.759 – 11.216
800 22.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
945
sparky, xeasy
892
sparky, xeasy
94.39
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.568 – 132.958
C: 13.701 – 83.161
HN: 4.700 – 11.358
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
628
sparky, xeasy
602
sparky, xeasy
95.86
4 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.568 – 132.958
C: 13.701 – 83.161
HN: 4.700 – 11.358
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
357
sparky, xeasy
345
sparky, xeasy
96.64
5 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024C1: 25.338 – 49.151
C2: 0.956 – 73.623
H1: -2.398 – 11.763
600 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2826
sparky, xeasy
2786
sparky, xeasy
98.58
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 103.568 – 132.958
C: 8.950 – 87.912
HN: 4.703 – 11.777
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
585
sparky, xeasy
570
sparky, xeasy
97.44
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 103.568 – 132.958
HN: 4.703 – 11.777
H: -0.238 – 9.690
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
433
sparky, xeasy
415
sparky, xeasy
95.84
8 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×1024N: 101.820 – 134.603
H: 4.699 – 12.030
600 1.00 N–H: spectrum, spectrum with peaks 297
sparky, xeasy
184
sparky, xeasy
61.95
9 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×324×512N: 102.363 – 133.617
HN: 6.187 – 10.586
H: -2.271 – 11.702
800 88.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3914
sparky, xeasy
2968
sparky, xeasy
75.83

2M47 (163 residues, PDB, BMRB, 2013)

Reference:
Yang, Y., Ramelot, T.A., Lee, D., Ciccosanti, C., Sapin, A., Janjua, H., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the Polyketide_cyc-like protein Cgl2372 from Corynebacterium glutamicum, Northeast Structural Genomics Consortium Target CgR160. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×547C: 6.112 – 85.800
H: -1.696 – 6.304
850 0.60 C–H: spectrum, spectrum with peaks 712
sparky, xeasy
657
sparky, xeasy
92.28
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 108.161 – 142.028
H: 5.499 – 9.499
850 0.33 C–H: spectrum, spectrum with peaks 94
sparky, xeasy
32
sparky, xeasy
34.04
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×547×256C: 10.076 – 77.811
HC: -1.697 – 6.303
H: -1.672 – 11.277
850 140.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
7701
sparky, xeasy
6844
sparky, xeasy
88.87
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
205×111×256C: 111.536 – 135.445
HC: 6.219 – 8.145
H: -1.169 – 10.787
850 24.17 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
573
sparky, xeasy
164
sparky, xeasy
28.62
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×128×342N: 102.816 – 131.703
C: 14.600 – 78.100
HN: 5.006 – 10.995
600 44.63 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
595
sparky, xeasy
548
sparky, xeasy
92.10
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 102.934 – 131.707
C: 14.600 – 78.100
HN: 5.995 – 11.000
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
329
sparky, xeasy
294
sparky, xeasy
89.36
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×910C1: 11.444 – 77.186
C2: 11.420 – 77.163
H1: -1.710 – 6.291
600 231.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2476
sparky, xeasy
2240
sparky, xeasy
90.47
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×286N: 102.789 – 131.675
C: 13.348 – 79.090
HN: 5.996 – 11.001
600 72.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
509
sparky, xeasy
451
sparky, xeasy
88.61
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×286×256N: 102.787 – 131.674
HN: 5.995 – 11.000
H: 0.311 – 6.287
600 72.25 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
408
sparky, xeasy
376
sparky, xeasy
92.16
10 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×428C: 10.461 – 76.203
HC: -0.701 – 6.272
H: -1.010 – 6.489
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2582
sparky, xeasy
2344
sparky, xeasy
90.78
11 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×542C: 10.366 – 78.097
HC: -0.333 – 5.942
H: -1.990 – 7.511
600 136.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3650
sparky, xeasy
3277
sparky, xeasy
89.78
12 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 102.934 – 131.707
H: -0.692 – 6.253
HN: 5.990 – 10.995
600 18.06 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
733
sparky, xeasy
644
sparky, xeasy
87.86
13 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×377N: 105.697 – 134.489
C: 40.155 – 69.920
HN: 5.499 – 11.008
850 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
307
sparky, xeasy
283
sparky, xeasy
92.18
14 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×286N: 102.934 – 131.707
C: 166.301 – 181.962
HN: 5.995 – 11.000
600 9.84 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
141
sparky, xeasy
83.43
15 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×286N: 102.934 – 131.707
C: 41.293 – 71.059
HN: 5.992 – 10.998
600 18.06 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
153
sparky, xeasy
141
sparky, xeasy
92.16
16 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×343N: 102.816 – 131.788
H: 5.995 – 11.006
850 1.48 N–H: spectrum, spectrum with peaks 237
sparky, xeasy
159
sparky, xeasy
67.09
17 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×386×256N: 103.024 – 131.798
HN: 4.999 – 11.008
H: -1.670 – 11.279
850 51.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2761
sparky, xeasy
2113
sparky, xeasy
76.53

2K3A (163 residues, PDB, BMRB, 2008)

Reference:
Rossi, P., Aramini, J.M., Xiao, R., Chen, C.X., Nwosu, C., Owens, L.A., Maglaqui, M., Nair, R., Fischer, M., Acton, T.B., Honig, B., Rost, B., Montelione, G.T. (2008). Structural elucidation of the Cys-His-Glu-Asn proteolytic relay in the secreted CHAP domain enzyme from the human pathogen Staphylococcus saprophyticus. Proteins 74: 515-519

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×478C: 4.522 – 79.335
H: -0.509 – 5.988
800 1.04 C–H: spectrum, spectrum with peaks 571
sparky, xeasy
540
sparky, xeasy
94.57
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
512×512C: 107.796 – 147.729
H: 4.765 – 11.725
800 1.00 C–H: spectrum, spectrum with peaks 74
sparky, xeasy
54
sparky, xeasy
72.97
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×478×256C: 33.968 – 57.778
HC: -0.509 – 5.988
H: -0.970 – 10.482
800 61.63 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9571
sparky, xeasy
9126
sparky, xeasy
95.35
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×512×256C: 112.963 – 142.718
HC: 4.753 – 11.713
H: -0.956 – 10.496
800 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1050
sparky, xeasy
938
sparky, xeasy
89.33
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 105.775 – 130.583
C: 4.478 – 79.257
HN: 4.774 – 11.734
800 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
601
sparky, xeasy
557
sparky, xeasy
92.68
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×512N: 105.834 – 130.642
C: 4.390 – 79.169
HN: 4.770 – 11.730
800 64.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
384
sparky, xeasy
359
sparky, xeasy
93.49
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×478C1: 31.912 – 55.722
C2: 6.392 – 81.171
H1: -0.503 – 5.994
800 61.63 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
1691
sparky, xeasy
1613
sparky, xeasy
95.39
8 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 105.775 – 130.583
HN: 4.770 – 11.730
H: -0.440 – 6.507
800 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
408
sparky, xeasy
379
sparky, xeasy
92.89
9 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×478C: 31.912 – 55.722
HC: -0.440 – 6.507
H: -0.508 – 5.990
800 30.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
1811
sparky, xeasy
1710
sparky, xeasy
94.42
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×478C: 31.856 – 55.665
HC: -0.442 – 6.505
H: -0.507 – 5.990
800 30.81 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2355
sparky, xeasy
2242
sparky, xeasy
95.20
11 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 105.834 – 130.642
C: 40.971 – 72.721
HN: 4.768 – 11.728
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
319
sparky, xeasy
297
sparky, xeasy
93.10
12 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 105.775 – 130.583
C: 167.852 – 189.764
HN: 4.770 – 11.730
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
201
sparky, xeasy
150
sparky, xeasy
74.63
13 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 105.775 – 130.583
C: 167.852 – 189.764
HN: 4.770 – 11.730
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
319
sparky, xeasy
300
sparky, xeasy
94.04
14 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 105.775 – 130.583
C: 40.971 – 72.721
HN: 4.768 – 11.728
800 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
159
sparky, xeasy
149
sparky, xeasy
93.71
15 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×512N: 105.622 – 130.522
H: 4.766 – 11.726
800 0.50 N–H: spectrum, spectrum with peaks 222
sparky, xeasy
194
sparky, xeasy
87.39
16 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 105.719 – 130.522
HN: 4.771 – 11.731
H: -0.947 – 10.505
800 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3509
sparky, xeasy
3212
sparky, xeasy
91.54
17 N15TOCSY
ucsf, pipe, .3D.16, .3D.param
64×512×256N: 106.048 – 130.657
HN: 4.777 – 11.753
H: -0.689 – 10.267
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
818
sparky, xeasy
716
sparky, xeasy
87.53

2M7U (165 residues, PDB, BMRB, 2013)

Reference:
Cornilescu, C.C. Structural and Flexibility Variations Between the Ground and Photoactivated States of a Blue/Green Light-Absorbing Cyanobacteriochrome. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×1364C: 1.763 – 81.611
H: -0.997 – 9.004
800 2.82 C–H: spectrum, spectrum with peaks 721
sparky, xeasy
570
sparky, xeasy
79.06
2 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×875×197C: 10.302 – 79.372
HC: -0.995 – 6.499
H: -0.502 – 10.986
800 91.44 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
17831
sparky, xeasy
13437
sparky, xeasy
75.36
3 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×468×512C: 111.187 – 140.783
HC: 4.996 – 9.000
H: -1.205 – 13.769
800 123.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
1706
sparky, xeasy
773
sparky, xeasy
45.31
4 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×1797N: 101.537 – 135.267
C: 12.649 – 82.381
HN: 5.799 – 13.110
600 231.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
624
sparky, xeasy
563
sparky, xeasy
90.22
5 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×1797N: 101.537 – 135.267
C: 12.649 – 82.381
HN: 5.800 – 13.112
600 231.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
375
sparky, xeasy
333
sparky, xeasy
88.80
6 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
64×256×861N: 101.802 – 135.267
C: 7.691 – 87.378
HN: 5.799 – 12.801
600 56.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
590
sparky, xeasy
506
sparky, xeasy
85.76
7 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
64×861×256N: 101.802 – 135.267
HN: 5.796 – 12.799
H: 0.296 – 6.273
600 56.31 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
422
sparky, xeasy
358
sparky, xeasy
84.83
8 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×512×1721N: 101.537 – 135.267
H: -0.712 – 6.278
HN: 5.800 – 12.802
600 437.25 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
839
sparky, xeasy
664
sparky, xeasy
79.14
9 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×860N: 101.537 – 135.267
C: 167.989 – 182.870
HN: 6.002 – 12.996
600 56.31 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
191
sparky, xeasy
142
sparky, xeasy
74.35
10 N15HSQC
ucsf, pipe, .3D.16, .3D.param
512×1657N: 98.476 – 138.398
H: 5.803 – 13.904
800 3.42 N–H: spectrum, spectrum with peaks 262
sparky, xeasy
185
sparky, xeasy
70.61
11 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×1533×778N: 102.194 – 135.930
HN: 6.007 – 12.804
H: -0.989 – 12.800
800 599.80 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
6167
sparky, xeasy
4455
sparky, xeasy
72.24

2B3W (168 residues, PDB, BMRB, 2005)

Reference:
Ramelot, T.A., Cort, J.R., Xiao, R., Shih, L.Y., Acton, T.B., Montelione, G.T., Kennedy, M.A.. NMR structure of the E.coli protein YbiA, Northeast Structural Genomics target ET24. To be published.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×385C: -2.168 – 82.500
H: -1.004 – 6.003
750 0.47 C–H: spectrum, spectrum with peaks 768
sparky, xeasy
728
sparky, xeasy
94.79
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
439×275C: 110.063 – 140.005
H: 4.997 – 9.997
750 0.71 C–H: spectrum, spectrum with peaks 96
sparky, xeasy
85
sparky, xeasy
88.54
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×483×256C: 31.082 – 54.989
HC: -2.000 – 7.010
H: -1.839 – 11.451
600 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8901
sparky, xeasy
8226
sparky, xeasy
92.42
4 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×486×256C: 31.268 – 55.081
HC: -1.996 – 7.004
H: -1.916 – 11.532
800 63.75 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
8901
sparky, xeasy
8226
sparky, xeasy
92.42
5 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×275×256C: 110.212 – 139.979
HC: 5.000 – 10.000
H: -1.839 – 11.451
750 36.13 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
801
sparky, xeasy
727
sparky, xeasy
90.76
6 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.371 – 134.659
C: 15.518 – 77.034
HN: 5.007 – 11.998
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
628
sparky, xeasy
568
sparky, xeasy
90.45
7 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.379 – 134.667
C: 15.446 – 76.961
HN: 5.006 – 11.997
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
365
sparky, xeasy
336
sparky, xeasy
92.05
8 CBHDaro
ucsf, pipe, .3D.16, .3D.param
256×342C: 20.114 – 50.003
H: 5.000 – 9.998
600 0.42 C–H: spectrum, spectrum with peaks 54
sparky, xeasy
36
sparky, xeasy
66.67
9 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×1024C1: 31.162 – 54.981
C2: 5.814 – 80.520
H1: -4.783 – 14.339
600 128.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2725
sparky, xeasy
2600
sparky, xeasy
95.41
10 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.897 – 33.950
C2: 13.897 – 33.950
H1: -3.651 – 9.664
H2: -0.445 – 6.500
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
6435
sparky, xeasy
6191
sparky, xeasy
96.21
11 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.379 – 134.667
C: 12.074 – 73.590
HN: 5.008 – 11.999
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
566
sparky, xeasy
527
sparky, xeasy
93.11
12 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×241×1024C: 31.206 – 55.019
HC: -0.988 – 6.513
H: -4.762 – 14.361
600 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2898
sparky, xeasy
2748
sparky, xeasy
94.82
13 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×241×1024C: 31.214 – 55.026
HC: -0.999 – 6.501
H: -4.774 – 14.348
600 127.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
4178
sparky, xeasy
3984
sparky, xeasy
95.36
14 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.371 – 134.659
H: -1.396 – 7.038
HN: 5.001 – 11.992
600 24.44 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
844
sparky, xeasy
786
sparky, xeasy
93.13
15 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.371 – 134.659
C: 41.293 – 71.059
HN: 5.010 – 12.001
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
323
sparky, xeasy
292
sparky, xeasy
90.40
16 HNCO
ucsf, pipe, .3D.16, .3D.param
128×64×375N: 100.372 – 134.659
C: 167.259 – 180.967
HN: 5.004 – 11.995
600 12.94 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
187
sparky, xeasy
153
sparky, xeasy
81.82
17 HNHA
ucsf, pipe, .3D.16, .3D.param
128×256×375N: 100.181 – 136.101
H: 2.533 – 10.838
HN: 5.004 – 11.995
600 48.88 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
462
sparky, xeasy
376
sparky, xeasy
81.39
18 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×375N: 100.360 – 134.648
C: 42.200 – 71.966
HN: 5.006 – 11.997
600 24.44 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
161
sparky, xeasy
146
sparky, xeasy
90.68
19 N15HSQC
ucsf, pipe, .3D.16, .3D.param
256×385N: 100.004 – 136.067
H: 5.002 – 12.009
750 0.47 N–H: spectrum, spectrum with peaks 286
sparky, xeasy
182
sparky, xeasy
63.64
20 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×385×512N: 100.191 – 136.115
HN: 5.002 – 12.009
H: -1.859 – 11.456
750 102.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3362
sparky, xeasy
2479
sparky, xeasy
73.74

KRAS4B (169 residues)

Reference:
Not available

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
1002×2206C: 4.309 – 72.737
H: -1.148 – 6.391
700 9.00 C–H: spectrum, spectrum with peaks 752
sparky, xeasy
586
sparky, xeasy
77.93
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
313×578C: 109.459 – 134.674
H: 5.713 – 7.687
600 0.94 C–H: spectrum, spectrum with peaks 70
sparky, xeasy
55
sparky, xeasy
78.57
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×1046×430C: 0.487 – 75.193
HC: -0.867 – 6.421
H: -0.881 – 10.849
700 457.54 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
13120
sparky, xeasy
9489
sparky, xeasy
72.32
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×272×392C: 0.678 – 75.385
HC: 6.174 – 8.064
H: -0.885 – 9.806
700 125.15 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
893
sparky, xeasy
704
sparky, xeasy
78.84
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×256×2048N: 99.028 – 134.751
C: 5.001 – 74.728
HN: 4.693 – 11.691
700 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
636
sparky, xeasy
624
sparky, xeasy
98.11
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
128×256×2048N: 99.041 – 134.764
C: 4.670 – 74.396
HN: 4.699 – 11.697
700 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
369
sparky, xeasy
354
sparky, xeasy
95.93
7 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 98.833 – 134.693
C: 2.833 – 74.692
HN: 4.692 – 11.687
700 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
574
sparky, xeasy
543
sparky, xeasy
94.60
8 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×512×1024N: 99.143 – 135.002
C: 3.142 – 75.001
HN: 4.707 – 11.702
700 512.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
574
sparky, xeasy
543
sparky, xeasy
94.60
9 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×723×519N: 98.870 – 134.729
HN: 6.151 – 10.992
H: -0.509 – 6.573
700 391.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
436
sparky, xeasy
388
sparky, xeasy
88.99
10 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×307×1060C: -0.528 – 74.179
HC: -1.485 – 6.882
H: -0.793 – 6.448
700 340.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
3964
sparky, xeasy
2463
sparky, xeasy
62.13
11 HNCA
ucsf, pipe, .3D.16, .3D.param
128×256×2048N: 99.012 – 134.731
C: 37.827 – 69.702
HN: 4.698 – 11.696
700 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
329
sparky, xeasy
326
sparky, xeasy
99.09
12 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×256×2048N: 99.029 – 134.748
C: 37.827 – 69.702
HN: 4.698 – 11.696
700 256.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
164
sparky, xeasy
163
sparky, xeasy
99.39
13 N15HSQC
ucsf, pipe, .3D.16, .3D.param
988×1425N: 99.197 – 133.896
H: 6.085 – 10.953
700 6.00 N–H: spectrum, spectrum with peaks 257
sparky, xeasy
185
sparky, xeasy
71.98
14 N15NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×342×419N: 97.126 – 136.463
HN: 6.071 – 10.827
H: -0.638 – 10.792
700 156.52 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
3975
sparky, xeasy
3056
sparky, xeasy
76.88

2G0Q (173 residues, PDB, BMRB, 2006)

Reference:
Lytle, B.L., Peterson, F.C., Tyler, E.M., Newman, C.L., Vinarov, D.A., Markley, J.L., Volkman, B.F. (2006). Solution structure of Arabidopsis thaliana protein At5g39720.1, a member of the AIG2-like protein family. Acta Crystallogr Sect F Struct Biol Cryst Commun 62: 490-493.

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13NOESY
ucsf, pipe, .3D.16, .3D.param
128×1024×256C: 22.859 – 63.969
HC: -3.526 – 13.128
H: -2.096 – 11.741
600 128.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
9482
sparky, xeasy
7026
sparky, xeasy
74.10
2 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
128×512×256C: 110.702 – 143.589
HC: 4.811 – 13.129
H: -2.099 – 11.738
600 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
700
sparky, xeasy
317
sparky, xeasy
45.29
3 CBCANH
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.638 – 135.280
C: 1.728 – 83.948
HN: 4.825 – 13.144
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
638
sparky, xeasy
546
sparky, xeasy
85.58
4 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.900 – 135.542
C: 2.557 – 84.777
HN: 4.825 – 13.144
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
576
sparky, xeasy
466
sparky, xeasy
80.90
5 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
128×512×128N: 102.635 – 135.277
HN: 4.823 – 13.142
H: -1.022 – 7.248
600 32.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
452
sparky, xeasy
355
sparky, xeasy
78.54
6 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
128×256×512C: 22.885 – 63.995
HC: -1.060 – 7.242
H: -1.075 – 7.244
600 64.00 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
4272
sparky, xeasy
2697
sparky, xeasy
63.13
7 HNCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.640 – 135.282
C: 33.892 – 75.001
HN: 4.824 – 13.143
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
331
sparky, xeasy
282
sparky, xeasy
85.20
8 HNCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.638 – 135.280
C: 169.532 – 182.685
HN: 4.826 – 13.145
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
193
sparky, xeasy
142
sparky, xeasy
73.58
9 HNcaCO
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.635 – 135.277
C: 169.534 – 182.688
HN: 4.825 – 13.144
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
331
sparky, xeasy
283
sparky, xeasy
85.50
10 HNcoCA
ucsf, pipe, .3D.16, .3D.param
128×128×512N: 102.638 – 135.280
C: 33.863 – 74.972
HN: 4.822 – 13.141
600 32.00 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
165
sparky, xeasy
142
sparky, xeasy
86.06
11 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×1024N: 102.686 – 135.553
H: 4.816 – 13.143
600 4.00 N–H: spectrum, spectrum with peaks 262
sparky, xeasy
171
sparky, xeasy
65.27
12 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×512×256N: 102.921 – 135.563
HN: 4.825 – 13.144
H: -2.086 – 11.751
600 64.00 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
2854
sparky, xeasy
2167
sparky, xeasy
75.93

2LF2 (175 residues, PDB, BMRB, 2011)

Reference:
Yang, Y., Ramelot, T.A., Lee, D., Ciccosanti, C., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Kennedy, M.A. Solution NMR structure of the AHSA1-like protein CHU_1110 from Cytophaga hutchinsonii, Northeast Structural Genomics Consortium Target ChR152. To be published

Experimental data:
  • Deposited structure
  • Deposited chemical shifts
Experimentally derived data:
  • ARTINA structure (based on experimental data)
  • ARTINA chemical shifts (based on experimental data)
In-silico data:
  • AlphaFold structure
  • UCBShift chemical shift predictions (based on AlphaFold structure)

#Experiment typeSizePPM rangeSpectrometer
frequency [MHz]
File size [MB] VisualizationsBack-calculated cross-peaks [?]
ExpectedAssigned% assigned
1 C13HSQC (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×527C: 6.112 – 85.800
H: -1.506 – 6.201
850 0.57 C–H: spectrum, spectrum with peaks 780
sparky, xeasy
744
sparky, xeasy
95.38
2 C13HSQC (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274C: 108.131 – 142.001
H: 5.498 – 9.498
850 0.33 C–H: spectrum, spectrum with peaks 107
sparky, xeasy
63
sparky, xeasy
58.88
3 C13NOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
512×547×256C: 11.925 – 75.800
HC: -1.506 – 6.494
H: -1.421 – 11.030
850 280.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
12403
sparky, xeasy
11590
sparky, xeasy
93.45
4 C13NOESY (aromatic)
ucsf, pipe, .3D.16, .3D.param
256×274×256C: 111.381 – 141.266
HC: 5.498 – 9.498
H: -1.421 – 11.030
850 72.25 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
H–HC: projection, projection with peaks
996
sparky, xeasy
582
sparky, xeasy
58.43
5 CBCANH
ucsf, pipe, .3D.16, .3D.param
256×256×342N: 103.047 – 132.930
C: 14.250 – 78.000
HN: 5.502 – 11.505
600 89.25 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
657
sparky, xeasy
635
sparky, xeasy
96.65
6 CBCAcoNH
ucsf, pipe, .3D.16, .3D.param
256×128×370N: 103.047 – 132.930
C: 14.008 – 78.500
HN: 5.502 – 11.998
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
368
sparky, xeasy
358
sparky, xeasy
97.28
7 CCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×399C1: 4.838 – 70.581
C2: 4.839 – 70.581
H1: -1.009 – 5.981
600 102.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C2–H1: projection, projection with peaks
2754
sparky, xeasy
2650
sparky, xeasy
96.22
8 CCNOESY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
32×32×1024×128C1: 13.940 – 33.987
C2: 13.940 – 33.987
H1: -3.685 – 9.638
H2: -0.474 – 6.469
600 512.00 C1–C2: projection, projection with peaks
C1–H1: projection, projection with peaks
C1–H2: projection, projection with peaks
C2–H1: projection, projection with peaks
H2–C2: projection, projection with peaks
H2–H1: projection, projection with peaks
5908
sparky, xeasy
5674
sparky, xeasy
96.04
9 CcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×128×370N: 103.047 – 132.930
C: 14.500 – 78.000
HN: 5.502 – 11.998
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
562
sparky, xeasy
549
sparky, xeasy
97.69
10 HBHAcoNH
ucsf, pipe, .3D.16, .3D.param
256×370×256N: 103.047 – 132.930
HN: 5.502 – 11.998
H: 0.050 – 7.022
600 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
HN–H: projection, projection with peaks
452
sparky, xeasy
434
sparky, xeasy
96.02
11 HCCHCOSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×427C: 8.357 – 78.081
HC: -0.681 – 6.292
H: -0.989 – 6.511
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
2870
sparky, xeasy
2753
sparky, xeasy
95.92
12 HCCHTOCSY (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×427C: 8.352 – 78.086
HC: -0.681 – 6.292
H: -0.994 – 6.505
600 110.50 C–HC: projection, projection with peaks
C–H: projection, projection with peaks
HC–H: projection, projection with peaks
4152
sparky, xeasy
3997
sparky, xeasy
96.27
13 HCcoNH (aliphatic)
ucsf, pipe, .3D.16, .3D.param
256×256×370N: 103.047 – 132.930
H: -0.689 – 6.284
HN: 5.502 – 11.998
600 97.75 N–H: projection, projection with peaks
N–HN: projection, projection with peaks
H–HN: projection, projection with peaks
818
sparky, xeasy
795
sparky, xeasy
97.19
14 HNCA
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.047 – 132.930
C: 41.305 – 71.070
HN: 5.501 – 12.005
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
339
sparky, xeasy
328
sparky, xeasy
96.76
15 HNCO
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.047 – 132.930
C: 168.093 – 183.968
HN: 5.500 – 11.998
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
189
sparky, xeasy
184
sparky, xeasy
97.35
16 HNcoCA
ucsf, pipe, .3D.16, .3D.param
256×128×371N: 103.047 – 132.930
C: 41.234 – 71.000
HN: 5.501 – 12.005
600 48.88 N–C: projection, projection with peaks
N–HN: projection, projection with peaks
C–HN: projection, projection with peaks
169
sparky, xeasy
164
sparky, xeasy
97.04
17 N15HSQC
ucsf, pipe, .3D.16, .3D.param
1024×370N: 104.945 – 132.918
H: 5.502 – 11.998
600 1.62 N–H: spectrum, spectrum with peaks 255
sparky, xeasy
192
sparky, xeasy
75.29
18 N15NOESY
ucsf, pipe, .3D.16, .3D.param
128×372×512N: 104.219 – 132.000
HN: 5.498 – 11.995
H: -1.446 – 11.030
850 97.75 N–HN: projection, projection with peaks
N–H: projection, projection with peaks
H–HN: projection, projection with peaks
4445
sparky, xeasy
3726
sparky, xeasy
83.82