NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type subtype
382020 1jc8 5139 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1       3.696  12.186   0.533  1.00  0.00      A       
ATOM      2  CH3 ACE A   1       3.297  12.393   1.991  1.00  0.00      A       
ATOM      3  H1  ACE A   1       2.910  11.461   2.443  1.00  0.00      A       
ATOM      4  H2  ACE A   1       4.153  12.740   2.601  1.00  0.00      A       
ATOM      5  H3  ACE A   1       2.502  13.155   2.081  1.00  0.00      A       
ATOM      6  O   ACE A   1       3.140  12.824  -0.363  1.00  0.00      A       
ATOM      7  C   ILE A   2       4.518   9.648  -1.603  1.00  0.00      A       
ATOM      8  CA  ILE A   2       5.192  10.938  -1.032  1.00  0.00      A       
ATOM      9  CB  ILE A   2       6.764  10.962  -1.124  1.00  0.00      A       
ATOM     10  CD1 ILE A   2       9.001   9.799  -0.406  1.00  0.00      A       
ATOM     11  CG1 ILE A   2       7.522  10.074  -0.087  1.00  0.00      A       
ATOM     12  CG2 ILE A   2       7.295  12.419  -1.099  1.00  0.00      A       
ATOM     13  HN  ILE A   2       4.980  10.798   1.173  1.00  0.00      A       
ATOM     14  HA  ILE A   2       4.864  11.727  -1.739  1.00  0.00      A       
ATOM     15  HB  ILE A   2       7.017  10.571  -2.129  1.00  0.00      A       
ATOM     16 HD11 ILE A   2       9.608  10.722  -0.398  1.00  0.00      A       
ATOM     17 HD12 ILE A   2       9.446   9.114   0.339  1.00  0.00      A       
ATOM     18 HD13 ILE A   2       9.124   9.326  -1.398  1.00  0.00      A       
ATOM     19 HG12 ILE A   2       7.442  10.519   0.923  1.00  0.00      A       
ATOM     20 HG11 ILE A   2       7.029   9.091  -0.001  1.00  0.00      A       
ATOM     21 HG21 ILE A   2       7.122  12.906  -0.121  1.00  0.00      A       
ATOM     22 HG22 ILE A   2       8.379  12.472  -1.304  1.00  0.00      A       
ATOM     23 HG23 ILE A   2       6.805  13.048  -1.866  1.00  0.00      A       
ATOM     24  N   ILE A   2       4.665  11.284   0.327  1.00  0.00      A       
ATOM     25  O   ILE A   2       3.915   9.713  -2.679  1.00  0.00      A       
ATOM     26  C   TRP A   3       2.442   7.138  -1.122  1.00  0.00      A       
ATOM     27  CA  TRP A   3       3.986   7.219  -1.354  1.00  0.00      A       
ATOM     28  CB  TRP A   3       4.770   6.039  -0.706  1.00  0.00      A       
ATOM     29  CD1 TRP A   3       4.432   4.162  -2.503  1.00  0.00      A       
ATOM     30  CD2 TRP A   3       3.766   3.609  -0.452  1.00  0.00      A       
ATOM     31  CE2 TRP A   3       3.502   2.541  -1.348  1.00  0.00      A       
ATOM     32  CE3 TRP A   3       3.418   3.494   0.921  1.00  0.00      A       
ATOM     33  CG  TRP A   3       4.351   4.636  -1.176  1.00  0.00      A       
ATOM     34  CH2 TRP A   3       2.560   1.263   0.472  1.00  0.00      A       
ATOM     35  CZ2 TRP A   3       2.892   1.357  -0.880  1.00  0.00      A       
ATOM     36  CZ3 TRP A   3       2.815   2.314   1.358  1.00  0.00      A       
ATOM     37  HN  TRP A   3       5.179   8.557  -0.058  1.00  0.00      A       
ATOM     38  HA  TRP A   3       4.149   7.135  -2.448  1.00  0.00      A       
ATOM     39  HB2 TRP A   3       5.852   6.151  -0.915  1.00  0.00      A       
ATOM     40  HB1 TRP A   3       4.694   6.099   0.397  1.00  0.00      A       
ATOM     41  HD1 TRP A   3       4.806   4.749  -3.329  1.00  0.00      A       
ATOM     42  HE1 TRP A   3       3.819   2.298  -3.482  1.00  0.00      A       
ATOM     43  HE3 TRP A   3       3.623   4.285   1.626  1.00  0.00      A       
ATOM     44  HH2 TRP A   3       2.099   0.361   0.838  1.00  0.00      A       
ATOM     45  HZ2 TRP A   3       2.684   0.540  -1.554  1.00  0.00      A       
ATOM     46  HZ3 TRP A   3       2.545   2.208   2.399  1.00  0.00      A       
ATOM     47  N   TRP A   3       4.602   8.498  -0.904  1.00  0.00      A       
ATOM     48  NE1 TRP A   3       3.911   2.863  -2.630  1.00  0.00      A       
ATOM     49  O   TRP A   3       1.714   6.812  -2.065  1.00  0.00      A       
ATOM     50  C   GLY A   4       0.064   5.908   0.862  1.00  0.00      A       
ATOM     51  CA  GLY A   4       0.511   7.318   0.429  1.00  0.00      A       
ATOM     52  HN  GLY A   4       2.640   7.794   0.757  1.00  0.00      A       
ATOM     53  HA2 GLY A   4       0.306   8.019   1.258  1.00  0.00      A       
ATOM     54  HA1 GLY A   4      -0.105   7.698  -0.411  1.00  0.00      A       
ATOM     55  N   GLY A   4       1.955   7.387   0.111  1.00  0.00      A       
ATOM     56  O   GLY A   4       0.145   5.569   2.046  1.00  0.00      A       
ATOM     57  C   ASP A   5      -0.595   2.788  -1.093  1.00  0.00      A       
ATOM     58  CA  ASP A   5      -0.902   3.717   0.143  1.00  0.00      A       
ATOM     59  CB  ASP A   5      -2.421   3.818   0.508  1.00  0.00      A       
ATOM     60  CG  ASP A   5      -3.116   2.537   1.007  1.00  0.00      A       
ATOM     61  HN  ASP A   5      -0.371   5.501  -1.052  1.00  0.00      A       
ATOM     62  HA  ASP A   5      -0.341   3.331   1.021  1.00  0.00      A       
ATOM     63  HB2 ASP A   5      -2.576   4.597   1.281  1.00  0.00      A       
ATOM     64  HB1 ASP A   5      -2.983   4.195  -0.369  1.00  0.00      A       
ATOM     65  N   ASP A   5      -0.419   5.107  -0.105  1.00  0.00      A       
ATOM     66  O   ASP A   5      -0.170   3.255  -2.157  1.00  0.00      A       
ATOM     67  OD1 ASP A   5      -3.943   1.967   0.290  1.00  0.00      A       
ATOM     68  C   SER A   6      -1.691   0.429  -3.135  1.00  0.00      A       
ATOM     69  CA  SER A   6      -0.562   0.478  -2.058  1.00  0.00      A       
ATOM     70  CB  SER A   6      -0.277  -0.904  -1.420  1.00  0.00      A       
ATOM     71  HN  SER A   6      -1.209   1.130  -0.076  1.00  0.00      A       
ATOM     72  HA  SER A   6       0.372   0.770  -2.578  1.00  0.00      A       
ATOM     73  HB2 SER A   6       0.522  -0.828  -0.659  1.00  0.00      A       
ATOM     74  HB1 SER A   6      -1.164  -1.294  -0.884  1.00  0.00      A       
ATOM     75  HG  SER A   6      -0.562  -1.870  -3.067  1.00  0.00      A       
ATOM     76  N   SER A   6      -0.810   1.457  -0.964  1.00  0.00      A       
ATOM     77  O   SER A   6      -1.399   0.652  -4.313  1.00  0.00      A       
ATOM     78  OG  SER A   6       0.134  -1.847  -2.405  1.00  0.00      A       
ATOM     79  C   GLY A   7      -4.297  -1.361  -4.311  1.00  0.00      A       
ATOM     80  CA  GLY A   7      -4.088   0.042  -3.700  1.00  0.00      A       
ATOM     81  HN  GLY A   7      -3.072  -0.034  -1.746  1.00  0.00      A       
ATOM     82  HA2 GLY A   7      -5.010   0.349  -3.172  1.00  0.00      A       
ATOM     83  HA1 GLY A   7      -3.978   0.786  -4.513  1.00  0.00      A       
ATOM     84  N   GLY A   7      -2.949   0.124  -2.752  1.00  0.00      A       
ATOM     85  O   GLY A   7      -4.127  -1.540  -5.519  1.00  0.00      A       
ATOM     86  C   LYS A   8      -5.834  -4.417  -2.817  1.00  0.00      A       
ATOM     87  CA  LYS A   8      -4.913  -3.749  -3.887  1.00  0.00      A       
ATOM     88  CB  LYS A   8      -3.580  -4.505  -4.186  1.00  0.00      A       
ATOM     89  CD  LYS A   8      -2.414  -6.609  -5.088  1.00  0.00      A       
ATOM     90  CE  LYS A   8      -2.597  -8.015  -5.687  1.00  0.00      A       
ATOM     91  CG  LYS A   8      -3.758  -5.917  -4.786  1.00  0.00      A       
ATOM     92  HN  LYS A   8      -4.782  -2.039  -2.492  1.00  0.00      A       
ATOM     93  HA  LYS A   8      -5.494  -3.724  -4.831  1.00  0.00      A       
ATOM     94  HB2 LYS A   8      -2.975  -3.905  -4.892  1.00  0.00      A       
ATOM     95  HB1 LYS A   8      -2.967  -4.564  -3.266  1.00  0.00      A       
ATOM     96  HD2 LYS A   8      -1.826  -5.977  -5.783  1.00  0.00      A       
ATOM     97  HD1 LYS A   8      -1.817  -6.670  -4.157  1.00  0.00      A       
ATOM     98  HE2 LYS A   8      -3.177  -8.656  -4.995  1.00  0.00      A       
ATOM     99  HE1 LYS A   8      -3.189  -7.962  -6.622  1.00  0.00      A       
ATOM    100  HG2 LYS A   8      -4.349  -6.544  -4.091  1.00  0.00      A       
ATOM    101  HG1 LYS A   8      -4.360  -5.848  -5.713  1.00  0.00      A       
ATOM    102  HZ1 LYS A   8      -1.392  -9.586  -6.368  1.00  0.00      A       
ATOM    103  HZ2 LYS A   8      -0.735  -8.096  -6.632  1.00  0.00      A       
ATOM    104  HZ3 LYS A   8      -0.723  -8.744  -5.117  1.00  0.00      A       
ATOM    105  N   LYS A   8      -4.668  -2.341  -3.466  1.00  0.00      A       
ATOM    106  NZ  LYS A   8      -1.290  -8.646  -5.967  1.00  0.00      A       
ATOM    107  O   LYS A   8      -7.007  -4.671  -3.102  1.00  0.00      A       
ATOM    108  C   LEU A   9      -5.686  -4.528   0.795  1.00  0.00      A       
ATOM    109  CA  LEU A   9      -6.061  -5.323  -0.492  1.00  0.00      A       
ATOM    110  CB  LEU A   9      -5.834  -6.866  -0.466  1.00  0.00      A       
ATOM    111  CD1 LEU A   9      -8.140  -7.653   0.394  1.00  0.00      A       
ATOM    112  CD2 LEU A   9      -6.112  -9.126   0.666  1.00  0.00      A       
ATOM    113  CG  LEU A   9      -6.613  -7.670   0.612  1.00  0.00      A       
ATOM    114  HN  LEU A   9      -4.317  -4.436  -1.508  1.00  0.00      A       
ATOM    115  HA  LEU A   9      -7.144  -5.154  -0.653  1.00  0.00      A       
ATOM    116  HB2 LEU A   9      -6.080  -7.284  -1.463  1.00  0.00      A       
ATOM    117  HB1 LEU A   9      -4.750  -7.059  -0.346  1.00  0.00      A       
ATOM    118 HD11 LEU A   9      -8.424  -8.071  -0.591  1.00  0.00      A       
ATOM    119 HD12 LEU A   9      -8.670  -8.242   1.165  1.00  0.00      A       
ATOM    120 HD13 LEU A   9      -8.552  -6.629   0.447  1.00  0.00      A       
ATOM    121 HD21 LEU A   9      -6.620  -9.705   1.461  1.00  0.00      A       
ATOM    122 HD22 LEU A   9      -6.281  -9.661  -0.287  1.00  0.00      A       
ATOM    123 HD23 LEU A   9      -5.029  -9.177   0.884  1.00  0.00      A       
ATOM    124  HG  LEU A   9      -6.407  -7.220   1.602  1.00  0.00      A       
ATOM    125  N   LEU A   9      -5.301  -4.706  -1.611  1.00  0.00      A       
ATOM    126  O   LEU A   9      -6.478  -3.685   1.228  1.00  0.00      A       
ATOM    127  C   ILE A  10      -3.067  -2.905   2.137  1.00  0.00      A       
ATOM    128  CA  ILE A  10      -4.016  -4.057   2.604  1.00  0.00      A       
ATOM    129  CB  ILE A  10      -3.413  -5.060   3.655  1.00  0.00      A       
ATOM    130  CD1 ILE A  10      -4.423  -4.039   5.845  1.00  0.00      A       
ATOM    131  CG1 ILE A  10      -3.161  -4.435   5.060  1.00  0.00      A       
ATOM    132  CG2 ILE A  10      -2.124  -5.789   3.199  1.00  0.00      A       
ATOM    133  HN  ILE A  10      -3.932  -5.497   0.931  1.00  0.00      A       
ATOM    134  HA  ILE A  10      -4.898  -3.606   3.101  1.00  0.00      A       
ATOM    135  HB  ILE A  10      -4.167  -5.858   3.805  1.00  0.00      A       
ATOM    136 HD11 ILE A  10      -4.162  -3.679   6.858  1.00  0.00      A       
ATOM    137 HD12 ILE A  10      -4.988  -3.228   5.352  1.00  0.00      A       
ATOM    138 HD13 ILE A  10      -5.109  -4.896   5.975  1.00  0.00      A       
ATOM    139 HG12 ILE A  10      -2.606  -5.154   5.693  1.00  0.00      A       
ATOM    140 HG11 ILE A  10      -2.490  -3.559   4.975  1.00  0.00      A       
ATOM    141 HG21 ILE A  10      -2.238  -6.258   2.205  1.00  0.00      A       
ATOM    142 HG22 ILE A  10      -1.263  -5.098   3.141  1.00  0.00      A       
ATOM    143 HG23 ILE A  10      -1.841  -6.597   3.899  1.00  0.00      A       
ATOM    144  N   ILE A  10      -4.498  -4.775   1.389  1.00  0.00      A       
ATOM    145  O   ILE A  10      -2.102  -3.133   1.397  1.00  0.00      A       
ATOM    146  C   Set A  11      -3.271   0.797   2.772  1.00  0.00      A       
ATOM    147  CA  Set A  11      -2.542  -0.461   2.224  1.00  0.00      A       
ATOM    148  CB  Set A  11      -1.028  -0.460   2.600  1.00  0.00      A       
ATOM    149  H   Set A  11      -4.196  -1.589   3.155  1.00  0.00      A       
ATOM    150  HA  Set A  11      -2.585  -0.397   1.119  1.00  0.00      A       
ATOM    151  HB2 Set A  11      -4.360   0.700   2.572  1.00  0.00      A       
ATOM    152  HB3 Set A  11      -3.202   0.791   3.877  1.00  0.00      A       
ATOM    153 HNT2 Set A  11      -2.054   2.696   2.676  1.00  0.00      A       
ATOM    154  N   Set A  11      -3.343  -1.667   2.591  1.00  0.00      A       
ATOM    155  NT  Set A  11      -2.766   2.097   2.225  1.00  0.00      A       
ATOM    156  OG  Set A  11      -0.253   0.144   1.854  1.00  0.00      A       
ATOM    157  C   THR A  12       1.556  -2.319   3.374  1.00  0.00      A       
ATOM    158  CA  THR A  12       0.837  -1.137   4.112  1.00  0.00      A       
ATOM    159  CB  THR A  12       0.950  -1.162   5.669  1.00  0.00      A       
ATOM    160  CG2 THR A  12       2.389  -1.031   6.199  1.00  0.00      A       
ATOM    161  HN  THR A  12      -1.337  -1.550   4.264  1.00  0.00      A       
ATOM    162  HA  THR A  12       1.329  -0.195   3.792  1.00  0.00      A       
ATOM    163  HB  THR A  12       0.523  -2.111   6.050  1.00  0.00      A       
ATOM    164  HG1 THR A  12       0.670   0.718   5.985  1.00  0.00      A       
ATOM    165 HG21 THR A  12       2.410  -1.029   7.305  1.00  0.00      A       
ATOM    166 HG22 THR A  12       3.031  -1.868   5.870  1.00  0.00      A       
ATOM    167 HG23 THR A  12       2.870  -0.094   5.861  1.00  0.00      A       
ATOM    168  N   THR A  12      -0.601  -1.094   3.713  1.00  0.00      A       
ATOM    169  O   THR A  12       1.902  -3.343   3.971  1.00  0.00      A       
ATOM    170  OG1 THR A  12       0.214  -0.085   6.247  1.00  0.00      A       
ATOM    171  C   THR A  13       3.360  -2.350   0.215  1.00  0.00      A       
ATOM    172  CA  THR A  13       2.436  -3.152   1.182  1.00  0.00      A       
ATOM    173  CB  THR A  13       1.398  -4.068   0.457  1.00  0.00      A       
ATOM    174  CG2 THR A  13       2.025  -5.176  -0.407  1.00  0.00      A       
ATOM    175  HN  THR A  13       1.220  -1.354   1.676  1.00  0.00      A       
ATOM    176  HA  THR A  13       3.077  -3.815   1.799  1.00  0.00      A       
ATOM    177  HB  THR A  13       0.750  -3.449  -0.192  1.00  0.00      A       
ATOM    178  HG1 THR A  13       0.122  -4.023   1.895  1.00  0.00      A       
ATOM    179 HG21 THR A  13       1.247  -5.806  -0.875  1.00  0.00      A       
ATOM    180 HG22 THR A  13       2.641  -4.763  -1.227  1.00  0.00      A       
ATOM    181 HG23 THR A  13       2.672  -5.845   0.191  1.00  0.00      A       
ATOM    182  N   THR A  13       1.757  -2.149   2.053  1.00  0.00      A       
ATOM    183  O   THR A  13       2.965  -2.017  -0.907  1.00  0.00      A       
ATOM    184  OG1 THR A  13       0.566  -4.722   1.408  1.00  0.00      A       
ATOM    185  C   ALA A  14       6.520  -2.254  -0.901  1.00  0.00      A       
ATOM    186  CA  ALA A  14       5.580  -1.285  -0.150  1.00  0.00      A       
ATOM    187  CB  ALA A  14       6.322  -0.303   0.775  1.00  0.00      A       
ATOM    188  HN  ALA A  14       4.806  -2.366   1.611  1.00  0.00      A       
ATOM    189  H'' ALA A  14       5.140  -2.240  -2.272  1.00  0.00      A       
ATOM    190  HA  ALA A  14       5.063  -0.660  -0.905  1.00  0.00      A       
ATOM    191  HB1 ALA A  14       6.881  -0.819   1.579  1.00  0.00      A       
ATOM    192  HB2 ALA A  14       7.053   0.307   0.212  1.00  0.00      A       
ATOM    193  HB3 ALA A  14       5.626   0.408   1.260  1.00  0.00      A       
ATOM    194  N   ALA A  14       4.597  -2.049   0.658  1.00  0.00      A       
ATOM    195  OT1 ALA A  14       7.598  -2.656  -0.461  1.00  0.00      A       
ATOM    196  OT2 ALA A  14       6.003  -2.628  -2.115  1.00  0.00      A       
END


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