NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
648047 6otb cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   GLY A   1       2.783   1.316  -1.497  1.00  0.00      A       
ATOM      2  CA  GLY A   1       2.071   0.001  -1.247  1.00  0.00      A       
ATOM      3  HT1 GLY A   1       1.811  -0.001   0.854  1.00  0.00      A       
ATOM      4  HA2 GLY A   1       2.803  -0.793  -1.219  1.00  0.00      A       
ATOM      5  HA1 GLY A   1       1.385  -0.184  -2.061  1.00  0.00      A       
ATOM      6  N   GLY A   1       1.330   0.000   0.000  1.00  0.00      A       
ATOM      7  O   GLY A   1       3.821   1.593  -0.896  1.00  0.00      A       
ATOM      8  C   CYS A   2       2.395   4.484  -1.710  1.00  0.00      A       
ATOM      9  CA  CYS A   2       2.815   3.420  -2.720  1.00  0.00      A       
ATOM     10  CB  CYS A   2       2.399   3.848  -4.129  1.00  0.00      A       
ATOM     11  HN  CYS A   2       1.398   1.852  -2.836  1.00  0.00      A       
ATOM     12  HA  CYS A   2       3.888   3.314  -2.687  1.00  0.00      A       
ATOM     13  HB2 CYS A   2       1.322   3.908  -4.176  1.00  0.00      A       
ATOM     14  HB1 CYS A   2       2.818   4.820  -4.340  1.00  0.00      A       
ATOM     15  N   CYS A   2       2.226   2.128  -2.389  1.00  0.00      A       
ATOM     16  O   CYS A   2       1.221   4.588  -1.352  1.00  0.00      A       
ATOM     17  SG  CYS A   2       2.946   2.710  -5.443  1.00  0.00      A       
ATOM     18  C   CYS A   3       2.116   7.353  -0.852  1.00  0.00      A       
ATOM     19  CA  CYS A   3       3.095   6.329  -0.284  1.00  0.00      A       
ATOM     20  CB  CYS A   3       4.398   7.021   0.119  1.00  0.00      A       
ATOM     21  HN  CYS A   3       4.279   5.141  -1.576  1.00  0.00      A       
ATOM     22  HA  CYS A   3       2.654   5.874   0.590  1.00  0.00      A       
ATOM     23  HB2 CYS A   3       5.089   6.982  -0.711  1.00  0.00      A       
ATOM     24  HB1 CYS A   3       4.189   8.054   0.358  1.00  0.00      A       
ATOM     25  N   CYS A   3       3.362   5.273  -1.253  1.00  0.00      A       
ATOM     26  O   CYS A   3       2.129   7.644  -2.048  1.00  0.00      A       
ATOM     27  SG  CYS A   3       5.223   6.273   1.560  1.00  0.00      A       
ATOM     28  C   CYS A   4       0.197  10.025   0.617  1.00  0.00      A       
ATOM     29  CA  CYS A   4       0.283   8.888  -0.397  1.00  0.00      A       
ATOM     30  CB  CYS A   4      -1.090   8.234  -0.564  1.00  0.00      A       
ATOM     31  HN  CYS A   4       1.308   7.624   0.957  1.00  0.00      A       
ATOM     32  HA  CYS A   4       0.597   9.293  -1.347  1.00  0.00      A       
ATOM     33  HB2 CYS A   4      -1.386   7.791   0.377  1.00  0.00      A       
ATOM     34  HB1 CYS A   4      -1.809   8.990  -0.842  1.00  0.00      A       
ATOM     35  N   CYS A   4       1.269   7.897   0.016  1.00  0.00      A       
ATOM     36  O   CYS A   4       0.106  11.194   0.248  1.00  0.00      A       
ATOM     37  SG  CYS A   4      -1.141   6.925  -1.830  1.00  0.00      A       
ATOM     38  C   ASN A   5       1.451  11.455   3.064  1.00  0.00      A       
ATOM     39  CA  ASN A   5       0.152  10.661   2.967  1.00  0.00      A       
ATOM     40  CB  ASN A   5      -0.142   9.978   4.304  1.00  0.00      A       
ATOM     41  CG  ASN A   5       0.721   8.751   4.528  1.00  0.00      A       
ATOM     42  HN  ASN A   5       0.301   8.722   2.131  1.00  0.00      A       
ATOM     43  HA  ASN A   5      -0.655  11.339   2.734  1.00  0.00      A       
ATOM     44  HB2 ASN A   5       0.043  10.676   5.106  1.00  0.00      A       
ATOM     45  HB1 ASN A   5      -1.179   9.676   4.327  1.00  0.00      A       
ATOM     46 HD21 ASN A   5      -0.896   7.594   4.587  1.00  0.00      A       
ATOM     47 HD22 ASN A   5       0.615   6.784   4.796  1.00  0.00      A       
ATOM     48  N   ASN A   5       0.227   9.671   1.898  1.00  0.00      A       
ATOM     49  ND2 ASN A   5       0.082   7.593   4.649  1.00  0.00      A       
ATOM     50  O   ASN A   5       2.517  11.004   2.643  1.00  0.00      A       
ATOM     51  OD1 ASN A   5       1.946   8.844   4.593  1.00  0.00      A       
ATOM     52  C   PRO A   6       3.504  13.025   4.841  1.00  0.00      A       
ATOM     53  CA  PRO A   6       2.521  13.550   3.799  1.00  0.00      A       
ATOM     54  CB  PRO A   6       1.898  14.867   4.268  1.00  0.00      A       
ATOM     55  CD  PRO A   6       0.125  13.268   4.156  1.00  0.00      A       
ATOM     56  CG  PRO A   6       0.615  14.471   4.913  1.00  0.00      A       
ATOM     57  HA  PRO A   6       3.038  13.706   2.864  1.00  0.00      A       
ATOM     58  HB2 PRO A   6       2.562  15.352   4.970  1.00  0.00      A       
ATOM     59  HB1 PRO A   6       1.730  15.512   3.419  1.00  0.00      A       
ATOM     60  HD2 PRO A   6      -0.385  12.586   4.820  1.00  0.00      A       
ATOM     61  HD1 PRO A   6      -0.528  13.570   3.350  1.00  0.00      A       
ATOM     62  HG2 PRO A   6       0.787  14.219   5.948  1.00  0.00      A       
ATOM     63  HG1 PRO A   6      -0.098  15.279   4.836  1.00  0.00      A       
ATOM     64  N   PRO A   6       1.362  12.667   3.632  1.00  0.00      A       
ATOM     65  O   PRO A   6       4.715  13.191   4.703  1.00  0.00      A       
ATOM     66  C   ALA A   7       4.919  10.968   6.374  1.00  0.00      A       
ATOM     67  CA  ALA A   7       3.805  11.840   6.944  1.00  0.00      A       
ATOM     68  CB  ALA A   7       2.954  11.041   7.920  1.00  0.00      A       
ATOM     69  HN  ALA A   7       2.001  12.290   5.935  1.00  0.00      A       
ATOM     70  HA  ALA A   7       4.248  12.665   7.484  1.00  0.00      A       
ATOM     71  HB1 ALA A   7       2.212  10.478   7.372  1.00  0.00      A       
ATOM     72  HB2 ALA A   7       3.584  10.362   8.475  1.00  0.00      A       
ATOM     73  HB3 ALA A   7       2.460  11.716   8.603  1.00  0.00      A       
ATOM     74  N   ALA A   7       2.974  12.391   5.881  1.00  0.00      A       
ATOM     75  O   ALA A   7       6.030  10.937   6.904  1.00  0.00      A       
ATOM     76  C   CYS A   8       6.865  10.150   4.313  1.00  0.00      A       
ATOM     77  CA  CYS A   8       5.588   9.386   4.650  1.00  0.00      A       
ATOM     78  CB  CYS A   8       4.996   8.774   3.379  1.00  0.00      A       
ATOM     79  HN  CYS A   8       3.711  10.326   4.916  1.00  0.00      A       
ATOM     80  HA  CYS A   8       5.830   8.593   5.342  1.00  0.00      A       
ATOM     81  HB2 CYS A   8       4.188   8.111   3.651  1.00  0.00      A       
ATOM     82  HB1 CYS A   8       4.611   9.565   2.754  1.00  0.00      A       
ATOM     83  N   CYS A   8       4.614  10.260   5.292  1.00  0.00      A       
ATOM     84  O   CYS A   8       7.972   9.646   4.503  1.00  0.00      A       
ATOM     85  SG  CYS A   8       6.189   7.815   2.390  1.00  0.00      A       
ATOM     86  C   GLY A   9       7.456  13.463   2.744  1.00  0.00      A       
ATOM     87  CA  GLY A   9       7.851  12.185   3.456  1.00  0.00      A       
ATOM     88  HN  GLY A   9       5.797  11.721   3.682  1.00  0.00      A       
ATOM     89  HA2 GLY A   9       8.391  12.438   4.356  1.00  0.00      A       
ATOM     90  HA1 GLY A   9       8.498  11.611   2.808  1.00  0.00      A       
ATOM     91  N   GLY A   9       6.703  11.370   3.811  1.00  0.00      A       
ATOM     92  O   GLY A   9       6.296  13.875   2.759  1.00  0.00      A       
ATOM     93  C   PRO A  10       7.391  15.155   0.104  1.00  0.00      A       
ATOM     94  CA  PRO A  10       8.211  15.366   1.372  1.00  0.00      A       
ATOM     95  CB  PRO A  10       9.626  15.833   1.022  1.00  0.00      A       
ATOM     96  CD  PRO A  10       9.844  13.684   2.044  1.00  0.00      A       
ATOM     97  CG  PRO A  10      10.443  14.588   1.002  1.00  0.00      A       
ATOM     98  HA  PRO A  10       7.728  16.107   1.992  1.00  0.00      A       
ATOM     99  HB2 PRO A  10       9.619  16.318   0.055  1.00  0.00      A       
ATOM    100  HB1 PRO A  10       9.977  16.524   1.774  1.00  0.00      A       
ATOM    101  HD2 PRO A  10       9.917  12.651   1.736  1.00  0.00      A       
ATOM    102  HD1 PRO A  10      10.332  13.830   2.997  1.00  0.00      A       
ATOM    103  HG2 PRO A  10      10.386  14.126   0.028  1.00  0.00      A       
ATOM    104  HG1 PRO A  10      11.468  14.818   1.251  1.00  0.00      A       
ATOM    105  N   PRO A  10       8.437  14.116   2.104  1.00  0.00      A       
ATOM    106  O   PRO A  10       6.624  16.026  -0.303  1.00  0.00      A       
ATOM    107  C   ASN A  11       6.354  12.217  -1.719  1.00  0.00      A       
ATOM    108  CA  ASN A  11       6.832  13.666  -1.739  1.00  0.00      A       
ATOM    109  CB  ASN A  11       7.720  13.905  -2.962  1.00  0.00      A       
ATOM    110  CG  ASN A  11       7.109  13.353  -4.236  1.00  0.00      A       
ATOM    111  HN  ASN A  11       8.184  13.336  -0.144  1.00  0.00      A       
ATOM    112  HA  ASN A  11       5.972  14.316  -1.797  1.00  0.00      A       
ATOM    113  HB2 ASN A  11       7.870  14.967  -3.089  1.00  0.00      A       
ATOM    114  HB1 ASN A  11       8.675  13.426  -2.806  1.00  0.00      A       
ATOM    115 HD21 ASN A  11       5.343  14.130  -3.755  1.00  0.00      A       
ATOM    116 HD22 ASN A  11       5.400  13.262  -5.248  1.00  0.00      A       
ATOM    117  N   ASN A  11       7.558  13.991  -0.517  1.00  0.00      A       
ATOM    118  ND2 ASN A  11       5.821  13.608  -4.433  1.00  0.00      A       
ATOM    119  O   ASN A  11       7.100  11.312  -1.344  1.00  0.00      A       
ATOM    120  OD1 ASN A  11       7.788  12.706  -5.034  1.00  0.00      A       
ATOM    121  C   TYR A  12       4.101  10.287  -3.566  1.00  0.00      A       
ATOM    122  CA  TYR A  12       4.529  10.668  -2.152  1.00  0.00      A       
ATOM    123  CB  TYR A  12       3.329  10.589  -1.206  1.00  0.00      A       
ATOM    124  CD1 TYR A  12       2.741  12.651   0.127  1.00  0.00      A       
ATOM    125  CD2 TYR A  12       1.781  12.401  -2.041  1.00  0.00      A       
ATOM    126  CE1 TYR A  12       2.079  13.854   0.286  1.00  0.00      A       
ATOM    127  CE2 TYR A  12       1.117  13.604  -1.891  1.00  0.00      A       
ATOM    128  CG  TYR A  12       2.604  11.905  -1.037  1.00  0.00      A       
ATOM    129  CZ  TYR A  12       1.269  14.326  -0.726  1.00  0.00      A       
ATOM    130  HN  TYR A  12       4.562  12.768  -2.412  1.00  0.00      A       
ATOM    131  HA  TYR A  12       5.285   9.973  -1.817  1.00  0.00      A       
ATOM    132  HB2 TYR A  12       2.623   9.869  -1.590  1.00  0.00      A       
ATOM    133  HB1 TYR A  12       3.668  10.269  -0.232  1.00  0.00      A       
ATOM    134  HD1 TYR A  12       3.376  12.279   0.918  1.00  0.00      A       
ATOM    135  HD2 TYR A  12       1.664  11.833  -2.952  1.00  0.00      A       
ATOM    136  HE1 TYR A  12       2.198  14.420   1.198  1.00  0.00      A       
ATOM    137  HE2 TYR A  12       0.483  13.973  -2.683  1.00  0.00      A       
ATOM    138  HH  TYR A  12       0.239  15.795  -1.415  1.00  0.00      A       
ATOM    139  N   TYR A  12       5.107  12.006  -2.125  1.00  0.00      A       
ATOM    140  O   TYR A  12       4.215   9.132  -3.972  1.00  0.00      A       
ATOM    141  OH  TYR A  12       0.609  15.523  -0.572  1.00  0.00      A       
ATOM    142  C   GLY A  13       2.210   9.852  -5.770  1.00  0.00      A       
ATOM    143  CA  GLY A  13       3.171  11.021  -5.674  1.00  0.00      A       
ATOM    144  HN  GLY A  13       3.540  12.173  -3.937  1.00  0.00      A       
ATOM    145  HA2 GLY A  13       2.683  11.907  -6.052  1.00  0.00      A       
ATOM    146  HA1 GLY A  13       4.037  10.811  -6.285  1.00  0.00      A       
ATOM    147  N   GLY A  13       3.608  11.271  -4.313  1.00  0.00      A       
ATOM    148  O   GLY A  13       2.417   8.931  -6.560  1.00  0.00      A       
ATOM    149  C   CYS A  14      -0.457   8.648  -6.339  1.00  0.00      A       
ATOM    150  CA  CYS A  14       0.161   8.823  -4.955  1.00  0.00      A       
ATOM    151  CB  CYS A  14      -0.934   9.126  -3.930  1.00  0.00      A       
ATOM    152  HN  CYS A  14       1.046  10.649  -4.352  1.00  0.00      A       
ATOM    153  HA  CYS A  14       0.657   7.905  -4.677  1.00  0.00      A       
ATOM    154  HB2 CYS A  14      -0.476   9.492  -3.023  1.00  0.00      A       
ATOM    155  HB1 CYS A  14      -1.589   9.886  -4.329  1.00  0.00      A       
ATOM    156  N   CYS A  14       1.157   9.887  -4.961  1.00  0.00      A       
ATOM    157  O   CYS A  14      -0.916   9.611  -6.952  1.00  0.00      A       
ATOM    158  SG  CYS A  14      -1.959   7.685  -3.489  1.00  0.00      A       
ATOM    159  C   GLY A  15      -2.393   6.477  -8.049  1.00  0.00      A       
ATOM    160  CA  GLY A  15      -1.028   7.131  -8.134  1.00  0.00      A       
ATOM    161  HN  GLY A  15      -0.084   6.681  -6.293  1.00  0.00      A       
ATOM    162  HA2 GLY A  15      -1.118   8.058  -8.680  1.00  0.00      A       
ATOM    163  HA1 GLY A  15      -0.359   6.473  -8.668  1.00  0.00      A       
ATOM    164  N   GLY A  15      -0.464   7.410  -6.826  1.00  0.00      A       
ATOM    165  O   GLY A  15      -2.728   5.849  -7.045  1.00  0.00      A       
ATOM    166  C   THR A  16      -4.463   4.523  -9.108  1.00  0.00      A       
ATOM    167  CA  THR A  16      -4.521   6.046  -9.148  1.00  0.00      A       
ATOM    168  CB  THR A  16      -5.286   6.486 -10.410  1.00  0.00      A       
ATOM    169  CG2 THR A  16      -6.769   6.170 -10.282  1.00  0.00      A       
ATOM    170  HN  THR A  16      -2.861   7.136  -9.878  1.00  0.00      A       
ATOM    171  HA  THR A  16      -5.064   6.398  -8.282  1.00  0.00      A       
ATOM    172  HB  THR A  16      -4.890   5.947 -11.259  1.00  0.00      A       
ATOM    173  HG1 THR A  16      -4.520   8.029 -11.371  1.00  0.00      A       
ATOM    174 HG21 THR A  16      -7.128   6.512  -9.323  1.00  0.00      A       
ATOM    175 HG22 THR A  16      -6.918   5.104 -10.364  1.00  0.00      A       
ATOM    176 HG23 THR A  16      -7.312   6.671 -11.069  1.00  0.00      A       
ATOM    177  N   THR A  16      -3.185   6.625  -9.107  1.00  0.00      A       
ATOM    178  O   THR A  16      -5.258   3.879  -8.424  1.00  0.00      A       
ATOM    179  OG1 THR A  16      -5.109   7.891 -10.625  1.00  0.00      A       
ATOM    180  C   SER A  17      -2.752   1.978  -8.598  1.00  0.00      A       
ATOM    181  CA  SER A  17      -3.355   2.504  -9.897  1.00  0.00      A       
ATOM    182  CB  SER A  17      -2.469   2.109 -11.080  1.00  0.00      A       
ATOM    183  HN  SER A  17      -2.911   4.520 -10.369  1.00  0.00      A       
ATOM    184  HA  SER A  17      -4.333   2.067 -10.029  1.00  0.00      A       
ATOM    185  HB2 SER A  17      -3.063   2.093 -11.981  1.00  0.00      A       
ATOM    186  HB1 SER A  17      -1.673   2.832 -11.187  1.00  0.00      A       
ATOM    187  HG  SER A  17      -2.385   0.179 -11.400  1.00  0.00      A       
ATOM    188  N   SER A  17      -3.515   3.953  -9.845  1.00  0.00      A       
ATOM    189  O   SER A  17      -3.104   0.895  -8.130  1.00  0.00      A       
ATOM    190  OG  SER A  17      -1.899   0.827 -10.885  1.00  0.00      A       
ATOM    191  C   CYS A  18      -1.652   3.248  -5.620  1.00  0.00      A       
ATOM    192  CA  CYS A  18      -1.186   2.367  -6.775  1.00  0.00      A       
ATOM    193  CB  CYS A  18       0.334   2.462  -6.923  1.00  0.00      A       
ATOM    194  HN  CYS A  18      -1.600   3.606  -8.441  1.00  0.00      A       
ATOM    195  HA  CYS A  18      -1.455   1.344  -6.562  1.00  0.00      A       
ATOM    196  HB2 CYS A  18       0.615   2.112  -7.905  1.00  0.00      A       
ATOM    197  HB1 CYS A  18       0.635   3.494  -6.815  1.00  0.00      A       
ATOM    198  N   CYS A  18      -1.840   2.753  -8.020  1.00  0.00      A       
ATOM    199  O   CYS A  18      -0.848   3.924  -4.977  1.00  0.00      A       
ATOM    200  SG  CYS A  18       1.262   1.482  -5.700  1.00  0.00      A       
ATOM    201  C   SER A  19      -3.346   3.347  -2.939  1.00  0.00      A       
ATOM    202  CA  SER A  19      -3.530   4.036  -4.287  1.00  0.00      A       
ATOM    203  CB  SER A  19      -5.017   4.286  -4.547  1.00  0.00      A       
ATOM    204  HN  SER A  19      -3.546   2.677  -5.910  1.00  0.00      A       
ATOM    205  HA  SER A  19      -3.013   4.984  -4.267  1.00  0.00      A       
ATOM    206  HB2 SER A  19      -5.393   4.994  -3.824  1.00  0.00      A       
ATOM    207  HB1 SER A  19      -5.144   4.686  -5.542  1.00  0.00      A       
ATOM    208  HG  SER A  19      -5.873   2.858  -3.513  1.00  0.00      A       
ATOM    209  N   SER A  19      -2.956   3.236  -5.362  1.00  0.00      A       
ATOM    210  OT1 SER A  19      -3.781   3.855  -1.906  1.00  0.00      A       
ATOM    211  OG  SER A  19      -5.762   3.085  -4.440  1.00  0.00      A       
END


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