NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
641127 6imh cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   1      -8.415  -5.433   0.467  1.00  0.00      A       
ATOM      2  CH3 ACE A   1      -9.939  -5.420   0.518  1.00  0.00      A       
ATOM      3  H1  ACE A   1     -10.314  -6.424   0.379  1.00  0.00      A       
ATOM      4  H2  ACE A   1     -10.320  -4.782  -0.266  1.00  0.00      A       
ATOM      5  H3  ACE A   1     -10.262  -5.044   1.477  1.00  0.00      A       
ATOM      6  O   ACE A   1      -7.796  -4.544  -0.118  1.00  0.00      A       
ATOM      7  C   GLY A   2      -5.729  -5.343   1.754  1.00  0.00      A       
ATOM      8  CA  GLY A   2      -6.364  -6.562   1.100  1.00  0.00      A       
ATOM      9  HN  GLY A   2      -8.359  -7.125   1.534  1.00  0.00      A       
ATOM     10  HA2 GLY A   2      -6.085  -7.449   1.653  1.00  0.00      A       
ATOM     11  HA1 GLY A   2      -6.001  -6.646   0.087  1.00  0.00      A       
ATOM     12  N   GLY A   2      -7.816  -6.446   1.082  1.00  0.00      A       
ATOM     13  O   GLY A   2      -6.150  -4.914   2.833  1.00  0.00      A       
ATOM     14  C   CYS A   3      -4.950  -2.422   1.668  1.00  0.00      A       
ATOM     15  CA  CYS A   3      -4.015  -3.638   1.638  1.00  0.00      A       
ATOM     16  CB  CYS A   3      -2.784  -3.314   0.791  1.00  0.00      A       
ATOM     17  HN  CYS A   3      -4.411  -5.181   0.255  1.00  0.00      A       
ATOM     18  HA  CYS A   3      -3.690  -3.888   2.633  1.00  0.00      A       
ATOM     19  HB2 CYS A   3      -2.512  -4.177   0.206  1.00  0.00      A       
ATOM     20  HB1 CYS A   3      -3.011  -2.486   0.134  1.00  0.00      A       
ATOM     21  N   CYS A   3      -4.707  -4.794   1.101  1.00  0.00      A       
ATOM     22  O   CYS A   3      -5.651  -2.146   0.693  1.00  0.00      A       
ATOM     23  SG  CYS A   3      -1.408  -2.858   1.880  1.00  0.00      A       
ATOM     24  C   PRO A   4      -5.405   0.661   2.001  1.00  0.00      A       
ATOM     25  CA  PRO A   4      -5.838  -0.487   2.909  1.00  0.00      A       
ATOM     26  CB  PRO A   4      -5.684  -0.112   4.386  1.00  0.00      A       
ATOM     27  CD  PRO A   4      -4.173  -1.937   3.965  1.00  0.00      A       
ATOM     28  CG  PRO A   4      -4.382  -0.698   4.811  1.00  0.00      A       
ATOM     29  HA  PRO A   4      -6.867  -0.744   2.714  1.00  0.00      A       
ATOM     30  HB2 PRO A   4      -5.663   0.965   4.495  1.00  0.00      A       
ATOM     31  HB1 PRO A   4      -6.487  -0.532   4.967  1.00  0.00      A       
ATOM     32  HD2 PRO A   4      -3.130  -2.042   3.711  1.00  0.00      A       
ATOM     33  HD1 PRO A   4      -4.533  -2.816   4.476  1.00  0.00      A       
ATOM     34  HG2 PRO A   4      -3.579   0.008   4.645  1.00  0.00      A       
ATOM     35  HG1 PRO A   4      -4.423  -0.977   5.855  1.00  0.00      A       
ATOM     36  N   PRO A   4      -4.973  -1.694   2.756  1.00  0.00      A       
ATOM     37  O   PRO A   4      -6.147   1.624   1.811  1.00  0.00      A       
ATOM     38  C   CYS A   5      -4.124   1.348  -0.865  1.00  0.00      A       
ATOM     39  CA  CYS A   5      -3.685   1.603   0.571  1.00  0.00      A       
ATOM     40  CB  CYS A   5      -2.157   1.646   0.654  1.00  0.00      A       
ATOM     41  HN  CYS A   5      -3.645  -0.229   1.636  1.00  0.00      A       
ATOM     42  HA  CYS A   5      -4.079   2.554   0.893  1.00  0.00      A       
ATOM     43  HB2 CYS A   5      -1.756   0.679   0.391  1.00  0.00      A       
ATOM     44  HB1 CYS A   5      -1.779   2.393  -0.027  1.00  0.00      A       
ATOM     45  N   CYS A   5      -4.197   0.557   1.448  1.00  0.00      A       
ATOM     46  O   CYS A   5      -3.921   0.258  -1.406  1.00  0.00      A       
ATOM     47  SG  CYS A   5      -1.656   2.063   2.346  1.00  0.00      A       
ATOM     48  C   GLU A   6      -4.851   3.514  -3.650  1.00  0.00      A       
ATOM     49  CA  GLU A   6      -5.174   2.239  -2.855  1.00  0.00      A       
ATOM     50  CB  GLU A   6      -6.668   1.977  -2.900  1.00  0.00      A       
ATOM     51  CD  GLU A   6      -8.584   1.418  -4.405  1.00  0.00      A       
ATOM     52  CG  GLU A   6      -7.106   1.781  -4.358  1.00  0.00      A       
ATOM     53  HN  GLU A   6      -4.843   3.212  -1.009  1.00  0.00      A       
ATOM     54  HA  GLU A   6      -4.686   1.386  -3.288  1.00  0.00      A       
ATOM     55  HB2 GLU A   6      -6.881   1.080  -2.339  1.00  0.00      A       
ATOM     56  HB1 GLU A   6      -7.198   2.810  -2.470  1.00  0.00      A       
ATOM     57  HG2 GLU A   6      -6.940   2.694  -4.910  1.00  0.00      A       
ATOM     58  HG1 GLU A   6      -6.527   0.983  -4.806  1.00  0.00      A       
ATOM     59  N   GLU A   6      -4.720   2.364  -1.482  1.00  0.00      A       
ATOM     60  O   GLU A   6      -5.447   4.569  -3.409  1.00  0.00      A       
ATOM     61  OE1 GLU A   6      -9.166   1.260  -3.345  1.00  0.00      A       
ATOM     62  OE2 GLU A   6      -9.113   1.302  -5.497  1.00  0.00      A       
ATOM     63  C   PRO A   7      -2.297   1.749  -3.737  1.00  0.00      A       
ATOM     64  CA  PRO A   7      -3.178   2.206  -4.904  1.00  0.00      A       
ATOM     65  CB  PRO A   7      -2.340   2.588  -6.113  1.00  0.00      A       
ATOM     66  CD  PRO A   7      -3.504   4.580  -5.429  1.00  0.00      A       
ATOM     67  CG  PRO A   7      -2.208   4.071  -6.042  1.00  0.00      A       
ATOM     68  HA  PRO A   7      -3.860   1.428  -5.182  1.00  0.00      A       
ATOM     69  HB2 PRO A   7      -1.369   2.108  -6.057  1.00  0.00      A       
ATOM     70  HB1 PRO A   7      -2.841   2.304  -7.025  1.00  0.00      A       
ATOM     71  HD2 PRO A   7      -3.320   5.469  -4.838  1.00  0.00      A       
ATOM     72  HD1 PRO A   7      -4.240   4.770  -6.190  1.00  0.00      A       
ATOM     73  HG2 PRO A   7      -1.377   4.338  -5.415  1.00  0.00      A       
ATOM     74  HG1 PRO A   7      -2.084   4.483  -7.027  1.00  0.00      A       
ATOM     75  N   PRO A   7      -3.926   3.453  -4.577  1.00  0.00      A       
ATOM     76  O   PRO A   7      -1.889   2.552  -2.896  1.00  0.00      A       
ATOM     77  C   SER A   8       0.225   0.338  -2.723  1.00  0.00      A       
ATOM     78  CA  SER A   8      -1.225  -0.107  -2.602  1.00  0.00      A       
ATOM     79  CB  SER A   8      -1.293  -1.633  -2.636  1.00  0.00      A       
ATOM     80  HN  SER A   8      -2.399  -0.146  -4.363  1.00  0.00      A       
ATOM     81  HA  SER A   8      -1.621   0.239  -1.656  1.00  0.00      A       
ATOM     82  HB2 SER A   8      -0.827  -2.038  -1.754  1.00  0.00      A       
ATOM     83  HB1 SER A   8      -2.330  -1.943  -2.669  1.00  0.00      A       
ATOM     84  HG  SER A   8       0.334  -2.052  -3.611  1.00  0.00      A       
ATOM     85  N   SER A   8      -2.031   0.449  -3.682  1.00  0.00      A       
ATOM     86  O   SER A   8       0.967   0.345  -1.741  1.00  0.00      A       
ATOM     87  OG  SER A   8      -0.608  -2.107  -3.787  1.00  0.00      A       
ATOM     88  C   TYR A   9       2.329   2.342  -3.308  1.00  0.00      A       
ATOM     89  CA  TYR A   9       1.990   1.138  -4.181  1.00  0.00      A       
ATOM     90  CB  TYR A   9       2.172   1.505  -5.657  1.00  0.00      A       
ATOM     91  CD1 TYR A   9       3.478   3.654  -5.784  1.00  0.00      A       
ATOM     92  CD2 TYR A   9       1.069   3.749  -5.958  1.00  0.00      A       
ATOM     93  CE1 TYR A   9       3.545   5.043  -5.919  1.00  0.00      A       
ATOM     94  CE2 TYR A   9       1.130   5.140  -6.094  1.00  0.00      A       
ATOM     95  CG  TYR A   9       2.240   3.006  -5.804  1.00  0.00      A       
ATOM     96  CZ  TYR A   9       2.369   5.789  -6.071  1.00  0.00      A       
ATOM     97  HN  TYR A   9      -0.009   0.668  -4.685  1.00  0.00      A       
ATOM     98  HA  TYR A   9       2.662   0.330  -3.940  1.00  0.00      A       
ATOM     99  HB2 TYR A   9       3.082   1.064  -6.029  1.00  0.00      A       
ATOM    100  HB1 TYR A   9       1.329   1.128  -6.223  1.00  0.00      A       
ATOM    101  HD1 TYR A   9       4.382   3.078  -5.665  1.00  0.00      A       
ATOM    102  HD2 TYR A   9       0.118   3.250  -5.974  1.00  0.00      A       
ATOM    103  HE1 TYR A   9       4.501   5.542  -5.902  1.00  0.00      A       
ATOM    104  HE2 TYR A   9       0.217   5.708  -6.211  1.00  0.00      A       
ATOM    105  HH  TYR A   9       3.230   7.372  -6.699  1.00  0.00      A       
ATOM    106  N   TYR A   9       0.623   0.701  -3.937  1.00  0.00      A       
ATOM    107  O   TYR A   9       3.500   2.662  -3.109  1.00  0.00      A       
ATOM    108  OH  TYR A   9       2.435   7.161  -6.203  1.00  0.00      A       
ATOM    109  C   LEU A  10       2.123   3.776  -0.613  1.00  0.00      A       
ATOM    110  CA  LEU A  10       1.502   4.177  -1.944  1.00  0.00      A       
ATOM    111  CB  LEU A  10       0.165   4.874  -1.698  1.00  0.00      A       
ATOM    112  CD1 LEU A  10      -1.758   6.003  -2.824  1.00  0.00      A       
ATOM    113  CD2 LEU A  10       0.577   6.777  -3.268  1.00  0.00      A       
ATOM    114  CG  LEU A  10      -0.303   5.553  -2.985  1.00  0.00      A       
ATOM    115  HN  LEU A  10       0.388   2.721  -2.985  1.00  0.00      A       
ATOM    116  HA  LEU A  10       2.165   4.860  -2.447  1.00  0.00      A       
ATOM    117  HB2 LEU A  10      -0.569   4.142  -1.389  1.00  0.00      A       
ATOM    118  HB1 LEU A  10       0.284   5.613  -0.924  1.00  0.00      A       
ATOM    119 HD11 LEU A  10      -2.017   6.680  -3.624  1.00  0.00      A       
ATOM    120 HD12 LEU A  10      -1.880   6.503  -1.875  1.00  0.00      A       
ATOM    121 HD13 LEU A  10      -2.408   5.140  -2.862  1.00  0.00      A       
ATOM    122 HD21 LEU A  10       0.106   7.395  -4.018  1.00  0.00      A       
ATOM    123 HD22 LEU A  10       1.542   6.451  -3.625  1.00  0.00      A       
ATOM    124 HD23 LEU A  10       0.703   7.347  -2.359  1.00  0.00      A       
ATOM    125  HG  LEU A  10      -0.228   4.856  -3.805  1.00  0.00      A       
ATOM    126  N   LEU A  10       1.300   3.012  -2.792  1.00  0.00      A       
ATOM    127  O   LEU A  10       2.766   4.593   0.046  1.00  0.00      A       
ATOM    128  C   CYS A  11       3.391   0.857   0.817  1.00  0.00      A       
ATOM    129  CA  CYS A  11       2.466   2.046   1.050  1.00  0.00      A       
ATOM    130  CB  CYS A  11       1.320   1.623   1.976  1.00  0.00      A       
ATOM    131  HN  CYS A  11       1.396   1.918  -0.778  1.00  0.00      A       
ATOM    132  HA  CYS A  11       3.021   2.840   1.518  1.00  0.00      A       
ATOM    133  HB2 CYS A  11       0.825   0.754   1.569  1.00  0.00      A       
ATOM    134  HB1 CYS A  11       1.721   1.384   2.951  1.00  0.00      A       
ATOM    135  N   CYS A  11       1.924   2.523  -0.216  1.00  0.00      A       
ATOM    136  O   CYS A  11       3.062  -0.281   1.145  1.00  0.00      A       
ATOM    137  SG  CYS A  11       0.133   2.982   2.133  1.00  0.00      A       
ATOM    138  C   PRO A  12       6.098  -0.582   1.267  1.00  0.00      A       
ATOM    139  CA  PRO A  12       5.563   0.050  -0.015  1.00  0.00      A       
ATOM    140  CB  PRO A  12       6.676   0.782  -0.774  1.00  0.00      A       
ATOM    141  CD  PRO A  12       5.017   2.439  -0.160  1.00  0.00      A       
ATOM    142  CG  PRO A  12       6.499   2.228  -0.455  1.00  0.00      A       
ATOM    143  HA  PRO A  12       5.137  -0.709  -0.651  1.00  0.00      A       
ATOM    144  HB2 PRO A  12       7.642   0.437  -0.430  1.00  0.00      A       
ATOM    145  HB1 PRO A  12       6.576   0.620  -1.836  1.00  0.00      A       
ATOM    146  HD2 PRO A  12       4.892   3.159   0.636  1.00  0.00      A       
ATOM    147  HD1 PRO A  12       4.494   2.755  -1.046  1.00  0.00      A       
ATOM    148  HG2 PRO A  12       7.097   2.497   0.407  1.00  0.00      A       
ATOM    149  HG1 PRO A  12       6.786   2.830  -1.306  1.00  0.00      A       
ATOM    150  N   PRO A  12       4.549   1.110   0.264  1.00  0.00      A       
ATOM    151  O   PRO A  12       6.567  -1.721   1.260  1.00  0.00      A       
ATOM    152  C   TRP A  13       5.567  -1.432   4.171  1.00  0.00      A       
ATOM    153  CA  TRP A  13       6.488  -0.336   3.646  1.00  0.00      A       
ATOM    154  CB  TRP A  13       6.542   0.808   4.660  1.00  0.00      A       
ATOM    155  CD1 TRP A  13       4.176   0.989   5.516  1.00  0.00      A       
ATOM    156  CD2 TRP A  13       4.711   2.657   4.105  1.00  0.00      A       
ATOM    157  CE2 TRP A  13       3.372   2.877   4.505  1.00  0.00      A       
ATOM    158  CE3 TRP A  13       5.297   3.574   3.215  1.00  0.00      A       
ATOM    159  CG  TRP A  13       5.196   1.447   4.758  1.00  0.00      A       
ATOM    160  CH2 TRP A  13       3.236   4.870   3.151  1.00  0.00      A       
ATOM    161  CZ2 TRP A  13       2.638   3.967   4.034  1.00  0.00      A       
ATOM    162  CZ3 TRP A  13       4.562   4.673   2.741  1.00  0.00      A       
ATOM    163  HN  TRP A  13       5.629   1.059   2.312  1.00  0.00      A       
ATOM    164  HA  TRP A  13       7.481  -0.739   3.526  1.00  0.00      A       
ATOM    165  HB2 TRP A  13       6.829   0.420   5.625  1.00  0.00      A       
ATOM    166  HB1 TRP A  13       7.265   1.541   4.333  1.00  0.00      A       
ATOM    167  HD1 TRP A  13       4.202   0.105   6.137  1.00  0.00      A       
ATOM    168  HE1 TRP A  13       2.220   1.718   5.797  1.00  0.00      A       
ATOM    169  HE3 TRP A  13       6.318   3.432   2.892  1.00  0.00      A       
ATOM    170  HH2 TRP A  13       2.675   5.716   2.783  1.00  0.00      A       
ATOM    171  HZ2 TRP A  13       1.617   4.113   4.354  1.00  0.00      A       
ATOM    172  HZ3 TRP A  13       5.022   5.372   2.058  1.00  0.00      A       
ATOM    173  N   TRP A  13       6.017   0.160   2.363  1.00  0.00      A       
ATOM    174  NE1 TRP A  13       3.090   1.831   5.361  1.00  0.00      A       
ATOM    175  O   TRP A  13       5.916  -2.140   5.121  1.00  0.00      A       
ATOM    176  C   LEU A  14       3.601  -3.852   3.132  1.00  0.00      A       
ATOM    177  CA  LEU A  14       3.442  -2.581   3.974  1.00  0.00      A       
ATOM    178  CB  LEU A  14       2.017  -2.055   3.839  1.00  0.00      A       
ATOM    179  CD1 LEU A  14       0.256  -0.713   4.994  1.00  0.00      A       
ATOM    180  CD2 LEU A  14       1.314  -2.648   6.175  1.00  0.00      A       
ATOM    181  CG  LEU A  14       1.556  -1.492   5.187  1.00  0.00      A       
ATOM    182  HN  LEU A  14       4.162  -0.984   2.810  1.00  0.00      A       
ATOM    183  HA  LEU A  14       3.628  -2.789   5.008  1.00  0.00      A       
ATOM    184  HB2 LEU A  14       1.991  -1.276   3.089  1.00  0.00      A       
ATOM    185  HB1 LEU A  14       1.363  -2.863   3.544  1.00  0.00      A       
ATOM    186 HD11 LEU A  14       0.381   0.001   4.193  1.00  0.00      A       
ATOM    187 HD12 LEU A  14       0.013  -0.191   5.908  1.00  0.00      A       
ATOM    188 HD13 LEU A  14      -0.539  -1.398   4.746  1.00  0.00      A       
ATOM    189 HD21 LEU A  14       2.262  -3.013   6.543  1.00  0.00      A       
ATOM    190 HD22 LEU A  14       0.793  -3.450   5.673  1.00  0.00      A       
ATOM    191 HD23 LEU A  14       0.718  -2.297   7.005  1.00  0.00      A       
ATOM    192  HG  LEU A  14       2.317  -0.834   5.578  1.00  0.00      A       
ATOM    193  N   LEU A  14       4.392  -1.571   3.554  1.00  0.00      A       
ATOM    194  O   LEU A  14       3.331  -3.844   1.933  1.00  0.00      A       
ATOM    195  C   PRO A  15       2.966  -6.666   2.262  1.00  0.00      A       
ATOM    196  CA  PRO A  15       4.226  -6.230   3.012  1.00  0.00      A       
ATOM    197  CB  PRO A  15       4.554  -7.219   4.136  1.00  0.00      A       
ATOM    198  CD  PRO A  15       4.390  -5.048   5.152  1.00  0.00      A       
ATOM    199  CG  PRO A  15       5.088  -6.387   5.250  1.00  0.00      A       
ATOM    200  HA  PRO A  15       5.059  -6.163   2.334  1.00  0.00      A       
ATOM    201  HB2 PRO A  15       3.661  -7.743   4.447  1.00  0.00      A       
ATOM    202  HB1 PRO A  15       5.307  -7.919   3.808  1.00  0.00      A       
ATOM    203  HD2 PRO A  15       3.505  -5.029   5.773  1.00  0.00      A       
ATOM    204  HD1 PRO A  15       5.065  -4.254   5.423  1.00  0.00      A       
ATOM    205  HG2 PRO A  15       4.859  -6.853   6.202  1.00  0.00      A       
ATOM    206  HG1 PRO A  15       6.152  -6.252   5.148  1.00  0.00      A       
ATOM    207  N   PRO A  15       4.032  -4.935   3.730  1.00  0.00      A       
ATOM    208  O   PRO A  15       3.043  -7.188   1.150  1.00  0.00      A       
ATOM    209  C   GLY A  16       0.317  -6.040   0.962  1.00  0.00      A       
ATOM    210  CA  GLY A  16       0.542  -6.811   2.257  1.00  0.00      A       
ATOM    211  HN  GLY A  16       1.811  -6.021   3.759  1.00  0.00      A       
ATOM    212  HA2 GLY A  16       0.553  -7.870   2.042  1.00  0.00      A       
ATOM    213  HA1 GLY A  16      -0.266  -6.596   2.942  1.00  0.00      A       
ATOM    214  N   GLY A  16       1.811  -6.443   2.876  1.00  0.00      A       
ATOM    215  O   GLY A  16      -0.202  -6.582  -0.013  1.00  0.00      A       
ATOM    216  C   CYS A  17       1.298  -4.494  -1.397  1.00  0.00      A       
ATOM    217  CA  CYS A  17       0.527  -3.924  -0.212  1.00  0.00      A       
ATOM    218  CB  CYS A  17       1.014  -2.503   0.084  1.00  0.00      A       
ATOM    219  HN  CYS A  17       1.103  -4.390   1.771  1.00  0.00      A       
ATOM    220  HA  CYS A  17      -0.522  -3.889  -0.461  1.00  0.00      A       
ATOM    221  HB2 CYS A  17       1.839  -2.542   0.778  1.00  0.00      A       
ATOM    222  HB1 CYS A  17       1.340  -2.041  -0.834  1.00  0.00      A       
ATOM    223  N   CYS A  17       0.701  -4.768   0.965  1.00  0.00      A       
ATOM    224  O   CYS A  17       2.506  -4.716  -1.309  1.00  0.00      A       
ATOM    225  SG  CYS A  17      -0.332  -1.529   0.805  1.00  0.00      A       
ATOM    226  HN1 NH2 A  18      -0.296  -4.566  -2.574  1.00  0.00      A       
ATOM    227  HN2 NH2 A  18       1.155  -5.112  -3.279  1.00  0.00      A       
ATOM    228  N   NH2 A  18       0.666  -4.744  -2.509  1.00  0.00      A       
END


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