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</