NMR Restraints Grid

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

image mrblock_id pdb_id cing stage program type subtype
389172 1niz cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   LYS A   5       4.762  -2.222  -4.146  1.00  0.00      A       
ATOM      2  CA  LYS A   5       6.188  -2.514  -3.698  1.00  0.00      A       
ATOM      3  CB  LYS A   5       6.934  -1.209  -3.400  1.00  0.00      A       
ATOM      4  CD  LYS A   5       6.858   1.165  -2.588  1.00  0.00      A       
ATOM      5  CE  LYS A   5       7.679   0.994  -1.320  1.00  0.00      A       
ATOM      6  CG  LYS A   5       6.049  -0.083  -2.900  1.00  0.00      A       
ATOM      7  HN  LYS A   5       7.275  -2.763  -5.484  1.00  0.00      A       
ATOM      8  HA  LYS A   5       6.161  -3.119  -2.804  1.00  0.00      A       
ATOM      9  HB2 LYS A   5       7.686  -1.402  -2.652  1.00  0.00      A       
ATOM     10  HB1 LYS A   5       7.416  -0.877  -4.306  1.00  0.00      A       
ATOM     11  HD2 LYS A   5       7.526   1.364  -3.413  1.00  0.00      A       
ATOM     12  HD1 LYS A   5       6.183   1.996  -2.460  1.00  0.00      A       
ATOM     13  HE2 LYS A   5       7.086   1.314  -0.477  1.00  0.00      A       
ATOM     14  HE1 LYS A   5       7.930  -0.051  -1.207  1.00  0.00      A       
ATOM     15  HG2 LYS A   5       5.325   0.151  -3.665  1.00  0.00      A       
ATOM     16  HG1 LYS A   5       5.540  -0.407  -2.005  1.00  0.00      A       
ATOM     17  HZ1 LYS A   5       9.236   2.034  -0.394  1.00  0.00      A       
ATOM     18  HZ2 LYS A   5       8.783   2.672  -1.893  1.00  0.00      A       
ATOM     19  HZ3 LYS A   5       9.691   1.248  -1.822  1.00  0.00      A       
ATOM     20  N   LYS A   5       6.901  -3.254  -4.724  1.00  0.00      A       
ATOM     21  NZ  LYS A   5       8.935   1.793  -1.360  1.00  0.00      A       
ATOM     22  O   LYS A   5       4.448  -2.291  -5.335  1.00  0.00      A       
ATOM     23  C   ARG A   6       1.921  -0.646  -2.446  1.00  0.00      A       
ATOM     24  CA  ARG A   6       2.518  -1.573  -3.500  1.00  0.00      A       
ATOM     25  CB  ARG A   6       1.691  -2.856  -3.602  1.00  0.00      A       
ATOM     26  CD  ARG A   6       0.400  -4.359  -5.147  1.00  0.00      A       
ATOM     27  CG  ARG A   6       1.556  -3.380  -5.023  1.00  0.00      A       
ATOM     28  CZ  ARG A   6       0.041  -6.769  -4.778  1.00  0.00      A       
ATOM     29  HN  ARG A   6       4.212  -1.840  -2.263  1.00  0.00      A       
ATOM     30  HA  ARG A   6       2.507  -1.070  -4.454  1.00  0.00      A       
ATOM     31  HB2 ARG A   6       2.164  -3.625  -3.002  1.00  0.00      A       
ATOM     32  HB1 ARG A   6       0.697  -2.663  -3.216  1.00  0.00      A       
ATOM     33  HD2 ARG A   6      -0.304  -4.167  -4.351  1.00  0.00      A       
ATOM     34  HD1 ARG A   6      -0.085  -4.205  -6.100  1.00  0.00      A       
ATOM     35  HE  ARG A   6       1.796  -5.927  -5.218  1.00  0.00      A       
ATOM     36  HG2 ARG A   6       1.381  -2.545  -5.688  1.00  0.00      A       
ATOM     37  HG1 ARG A   6       2.473  -3.882  -5.300  1.00  0.00      A       
ATOM     38 HH11 ARG A   6      -1.627  -5.637  -4.602  1.00  0.00      A       
ATOM     39 HH12 ARG A   6      -1.851  -7.335  -4.347  1.00  0.00      A       
ATOM     40 HH21 ARG A   6       1.502  -8.161  -4.884  1.00  0.00      A       
ATOM     41 HH22 ARG A   6      -0.076  -8.768  -4.507  1.00  0.00      A       
ATOM     42  N   ARG A   6       3.904  -1.886  -3.192  1.00  0.00      A       
ATOM     43  NE  ARG A   6       0.846  -5.747  -5.059  1.00  0.00      A       
ATOM     44  NH1 ARG A   6      -1.252  -6.563  -4.558  1.00  0.00      A       
ATOM     45  NH2 ARG A   6       0.529  -8.000  -4.719  1.00  0.00      A       
ATOM     46  O   ARG A   6       1.783  -1.021  -1.282  1.00  0.00      A       
ATOM     47  C   ILE A   7      -0.442   1.889  -2.365  1.00  0.00      A       
ATOM     48  CA  ILE A   7       0.987   1.548  -1.957  1.00  0.00      A       
ATOM     49  CB  ILE A   7       1.818   2.846  -1.916  1.00  0.00      A       
ATOM     50  CD1 ILE A   7       3.969   2.790  -3.275  1.00  0.00      A       
ATOM     51  CG1 ILE A   7       3.316   2.527  -1.935  1.00  0.00      A       
ATOM     52  CG2 ILE A   7       1.459   3.664  -0.684  1.00  0.00      A       
ATOM     53  HN  ILE A   7       1.705   0.805  -3.804  1.00  0.00      A       
ATOM     54  HA  ILE A   7       0.975   1.120  -0.964  1.00  0.00      A       
ATOM     55  HB  ILE A   7       1.571   3.431  -2.788  1.00  0.00      A       
ATOM     56 HD11 ILE A   7       3.292   3.350  -3.902  1.00  0.00      A       
ATOM     57 HD12 ILE A   7       4.206   1.849  -3.750  1.00  0.00      A       
ATOM     58 HD13 ILE A   7       4.876   3.358  -3.128  1.00  0.00      A       
ATOM     59 HG12 ILE A   7       3.820   3.139  -1.196  1.00  0.00      A       
ATOM     60 HG11 ILE A   7       3.458   1.480  -1.695  1.00  0.00      A       
ATOM     61 HG21 ILE A   7       0.689   4.377  -0.938  1.00  0.00      A       
ATOM     62 HG22 ILE A   7       2.335   4.190  -0.334  1.00  0.00      A       
ATOM     63 HG23 ILE A   7       1.099   3.006   0.093  1.00  0.00      A       
ATOM     64  N   ILE A   7       1.569   0.565  -2.864  1.00  0.00      A       
ATOM     65  O   ILE A   7      -0.696   2.275  -3.506  1.00  0.00      A       
ATOM     66  C   HIS A   8      -3.425   2.722  -0.494  1.00  0.00      A       
ATOM     67  CA  HIS A   8      -2.776   2.037  -1.693  1.00  0.00      A       
ATOM     68  CB  HIS A   8      -3.532   0.751  -2.031  1.00  0.00      A       
ATOM     69  CD2 HIS A   8      -1.843  -0.508  -3.546  1.00  0.00      A       
ATOM     70  CE1 HIS A   8      -3.094  -0.691  -5.338  1.00  0.00      A       
ATOM     71  CG  HIS A   8      -3.034   0.076  -3.272  1.00  0.00      A       
ATOM     72  HN  HIS A   8      -1.109   1.432  -0.537  1.00  0.00      A       
ATOM     73  HA  HIS A   8      -2.821   2.703  -2.541  1.00  0.00      A       
ATOM     74  HB2 HIS A   8      -3.428   0.052  -1.210  1.00  0.00      A       
ATOM     75  HB1 HIS A   8      -4.580   0.985  -2.176  1.00  0.00      A       
ATOM     76  HD1 HIS A   8      -4.713   0.269  -4.532  1.00  0.00      A       
ATOM     77  HD2 HIS A   8      -1.000  -0.590  -2.875  1.00  0.00      A       
ATOM     78  HE1 HIS A   8      -3.435  -0.934  -6.333  1.00  0.00      A       
ATOM     79  HE2 HIS A   8      -1.159  -1.360  -5.339  1.00  0.00      A       
ATOM     80  N   HIS A   8      -1.373   1.743  -1.427  1.00  0.00      A       
ATOM     81  ND1 HIS A   8      -3.795  -0.055  -4.415  1.00  0.00      A       
ATOM     82  NE2 HIS A   8      -1.907  -0.975  -4.836  1.00  0.00      A       
ATOM     83  O   HIS A   8      -3.353   2.227   0.630  1.00  0.00      A       
ATOM     84  C   ILE A   9      -6.088   5.115  -0.134  1.00  0.00      A       
ATOM     85  CA  ILE A   9      -4.718   4.617   0.316  1.00  0.00      A       
ATOM     86  CB  ILE A   9      -3.869   5.823   0.762  1.00  0.00      A       
ATOM     87  CD1 ILE A   9      -1.603   5.222  -0.229  1.00  0.00      A       
ATOM     88  CG1 ILE A   9      -2.427   5.388   1.030  1.00  0.00      A       
ATOM     89  CG2 ILE A   9      -4.473   6.468   2.000  1.00  0.00      A       
ATOM     90  HN  ILE A   9      -4.080   4.208  -1.660  1.00  0.00      A       
ATOM     91  HA  ILE A   9      -4.845   3.960   1.163  1.00  0.00      A       
ATOM     92  HB  ILE A   9      -3.875   6.553  -0.033  1.00  0.00      A       
ATOM     93 HD11 ILE A   9      -1.191   4.224  -0.260  1.00  0.00      A       
ATOM     94 HD12 ILE A   9      -0.800   5.944  -0.230  1.00  0.00      A       
ATOM     95 HD13 ILE A   9      -2.231   5.379  -1.093  1.00  0.00      A       
ATOM     96 HG12 ILE A   9      -1.942   6.131   1.647  1.00  0.00      A       
ATOM     97 HG11 ILE A   9      -2.435   4.439   1.550  1.00  0.00      A       
ATOM     98 HG21 ILE A   9      -4.373   5.797   2.840  1.00  0.00      A       
ATOM     99 HG22 ILE A   9      -5.519   6.673   1.825  1.00  0.00      A       
ATOM    100 HG23 ILE A   9      -3.955   7.391   2.214  1.00  0.00      A       
ATOM    101  N   ILE A   9      -4.058   3.864  -0.743  1.00  0.00      A       
ATOM    102  O   ILE A   9      -6.191   6.077  -0.895  1.00  0.00      A       
ATOM    103  C   GLY A  10      -9.220   5.518   1.127  1.00  0.00      A       
ATOM    104  CA  GLY A  10      -8.488   4.843  -0.018  1.00  0.00      A       
ATOM    105  HN  GLY A  10      -6.993   3.695   0.947  1.00  0.00      A       
ATOM    106  HA2 GLY A  10      -8.443   5.526  -0.855  1.00  0.00      A       
ATOM    107  HA1 GLY A  10      -9.038   3.959  -0.312  1.00  0.00      A       
ATOM    108  N   GLY A  10      -7.137   4.454   0.343  1.00  0.00      A       
ATOM    109  O   GLY A  10      -8.609   6.245   1.911  1.00  0.00      A       
ATOM    110  C   PRO A  11     -11.024   5.270   3.685  1.00  0.00      A       
ATOM    111  CA  PRO A  11     -11.336   5.891   2.329  1.00  0.00      A       
ATOM    112  CB  PRO A  11     -12.776   5.592   1.912  1.00  0.00      A       
ATOM    113  CD  PRO A  11     -11.350   4.435   0.372  1.00  0.00      A       
ATOM    114  CG  PRO A  11     -12.686   4.371   1.063  1.00  0.00      A       
ATOM    115  HA  PRO A  11     -11.187   6.958   2.382  1.00  0.00      A       
ATOM    116  HB2 PRO A  11     -13.380   5.417   2.793  1.00  0.00      A       
ATOM    117  HB1 PRO A  11     -13.171   6.428   1.355  1.00  0.00      A       
ATOM    118  HD2 PRO A  11     -10.920   3.447   0.293  1.00  0.00      A       
ATOM    119  HD1 PRO A  11     -11.454   4.880  -0.607  1.00  0.00      A       
ATOM    120  HG2 PRO A  11     -12.747   3.488   1.681  1.00  0.00      A       
ATOM    121  HG1 PRO A  11     -13.483   4.373   0.334  1.00  0.00      A       
ATOM    122  N   PRO A  11     -10.539   5.292   1.256  1.00  0.00      A       
ATOM    123  O   PRO A  11     -11.873   4.617   4.292  1.00  0.00      A       
ATOM    124  C   GLY A  12      -8.849   3.500   5.273  1.00  0.00      A       
ATOM    125  CA  GLY A  12      -9.383   4.911   5.420  1.00  0.00      A       
ATOM    126  HN  GLY A  12      -9.159   5.989   3.614  1.00  0.00      A       
ATOM    127  HA2 GLY A  12      -8.611   5.537   5.844  1.00  0.00      A       
ATOM    128  HA1 GLY A  12     -10.231   4.896   6.089  1.00  0.00      A       
ATOM    129  N   GLY A  12      -9.795   5.468   4.147  1.00  0.00      A       
ATOM    130  O   GLY A  12      -8.886   2.711   6.217  1.00  0.00      A       
ATOM    131  C   ARG A  13      -6.288   1.899   3.745  1.00  0.00      A       
ATOM    132  CA  ARG A  13      -7.813   1.859   3.798  1.00  0.00      A       
ATOM    133  CB  ARG A  13      -8.371   1.310   2.475  1.00  0.00      A       
ATOM    134  CD  ARG A  13     -10.722   2.116   2.863  1.00  0.00      A       
ATOM    135  CG  ARG A  13      -9.539   2.108   1.910  1.00  0.00      A       
ATOM    136  CZ  ARG A  13     -12.696   0.727   3.358  1.00  0.00      A       
ATOM    137  HN  ARG A  13      -8.356   3.857   3.367  1.00  0.00      A       
ATOM    138  HA  ARG A  13      -8.113   1.204   4.602  1.00  0.00      A       
ATOM    139  HB2 ARG A  13      -7.580   1.308   1.737  1.00  0.00      A       
ATOM    140  HB1 ARG A  13      -8.704   0.293   2.636  1.00  0.00      A       
ATOM    141  HD2 ARG A  13     -10.355   2.008   3.875  1.00  0.00      A       
ATOM    142  HD1 ARG A  13     -11.238   3.061   2.764  1.00  0.00      A       
ATOM    143  HE  ARG A  13     -11.508   0.502   1.771  1.00  0.00      A       
ATOM    144  HG2 ARG A  13      -9.221   3.127   1.743  1.00  0.00      A       
ATOM    145  HG1 ARG A  13      -9.847   1.663   0.973  1.00  0.00      A       
ATOM    146 HH11 ARG A  13     -12.332   2.180   4.717  1.00  0.00      A       
ATOM    147 HH12 ARG A  13     -13.714   1.189   5.043  1.00  0.00      A       
ATOM    148 HH21 ARG A  13     -13.325  -0.803   2.197  1.00  0.00      A       
ATOM    149 HH22 ARG A  13     -14.277  -0.506   3.612  1.00  0.00      A       
ATOM    150  N   ARG A  13      -8.355   3.183   4.079  1.00  0.00      A       
ATOM    151  NE  ARG A  13     -11.659   1.031   2.581  1.00  0.00      A       
ATOM    152  NH1 ARG A  13     -12.933   1.422   4.463  1.00  0.00      A       
ATOM    153  NH2 ARG A  13     -13.499  -0.276   3.029  1.00  0.00      A       
ATOM    154  O   ARG A  13      -5.694   1.925   2.667  1.00  0.00      A       
ATOM    155  C   ALA A  14      -3.586   0.699   4.376  1.00  0.00      A       
ATOM    156  CA  ALA A  14      -4.205   1.945   5.001  1.00  0.00      A       
ATOM    157  CB  ALA A  14      -3.764   2.086   6.450  1.00  0.00      A       
ATOM    158  HN  ALA A  14      -6.187   1.887   5.742  1.00  0.00      A       
ATOM    159  HA  ALA A  14      -3.862   2.815   4.459  1.00  0.00      A       
ATOM    160  HB1 ALA A  14      -3.740   3.132   6.719  1.00  0.00      A       
ATOM    161  HB2 ALA A  14      -2.778   1.661   6.569  1.00  0.00      A       
ATOM    162  HB3 ALA A  14      -4.461   1.565   7.090  1.00  0.00      A       
ATOM    163  N   ALA A  14      -5.660   1.907   4.916  1.00  0.00      A       
ATOM    164  O   ALA A  14      -3.245  -0.254   5.076  1.00  0.00      A       
ATOM    165  C   PHE A  15      -1.458  -0.091   1.854  1.00  0.00      A       
ATOM    166  CA  PHE A  15      -2.869  -0.416   2.335  1.00  0.00      A       
ATOM    167  CB  PHE A  15      -3.755  -0.794   1.146  1.00  0.00      A       
ATOM    168  CD1 PHE A  15      -4.813  -2.828   2.165  1.00  0.00      A       
ATOM    169  CD2 PHE A  15      -6.237  -1.146   1.253  1.00  0.00      A       
ATOM    170  CE1 PHE A  15      -5.919  -3.577   2.520  1.00  0.00      A       
ATOM    171  CE2 PHE A  15      -7.347  -1.891   1.605  1.00  0.00      A       
ATOM    172  CG  PHE A  15      -4.959  -1.606   1.529  1.00  0.00      A       
ATOM    173  CZ  PHE A  15      -7.188  -3.108   2.239  1.00  0.00      A       
ATOM    174  HN  PHE A  15      -3.738   1.502   2.552  1.00  0.00      A       
ATOM    175  HA  PHE A  15      -2.821  -1.252   3.016  1.00  0.00      A       
ATOM    176  HB2 PHE A  15      -4.103   0.108   0.664  1.00  0.00      A       
ATOM    177  HB1 PHE A  15      -3.174  -1.371   0.442  1.00  0.00      A       
ATOM    178  HD1 PHE A  15      -3.822  -3.195   2.385  1.00  0.00      A       
ATOM    179  HD2 PHE A  15      -6.363  -0.195   0.757  1.00  0.00      A       
ATOM    180  HE1 PHE A  15      -5.792  -4.528   3.015  1.00  0.00      A       
ATOM    181  HE2 PHE A  15      -8.338  -1.521   1.385  1.00  0.00      A       
ATOM    182  HZ  PHE A  15      -8.054  -3.691   2.515  1.00  0.00      A       
ATOM    183  N   PHE A  15      -3.446   0.714   3.055  1.00  0.00      A       
ATOM    184  O   PHE A  15      -1.105  -0.357   0.705  1.00  0.00      A       
ATOM    185  C   TYR A  16       1.668  -0.310   2.723  1.00  0.00      A       
ATOM    186  CA  TYR A  16       0.718   0.844   2.414  1.00  0.00      A       
ATOM    187  CB  TYR A  16       1.137   2.096   3.191  1.00  0.00      A       
ATOM    188  CD1 TYR A  16       3.604   1.788   3.638  1.00  0.00      A       
ATOM    189  CD2 TYR A  16       2.937   3.544   2.170  1.00  0.00      A       
ATOM    190  CE1 TYR A  16       4.929   2.139   3.463  1.00  0.00      A       
ATOM    191  CE2 TYR A  16       4.260   3.901   1.990  1.00  0.00      A       
ATOM    192  CG  TYR A  16       2.587   2.483   2.995  1.00  0.00      A       
ATOM    193  CZ  TYR A  16       5.251   3.196   2.639  1.00  0.00      A       
ATOM    194  HN  TYR A  16      -0.995   0.669   3.644  1.00  0.00      A       
ATOM    195  HA  TYR A  16       0.761   1.056   1.356  1.00  0.00      A       
ATOM    196  HB2 TYR A  16       0.528   2.928   2.871  1.00  0.00      A       
ATOM    197  HB1 TYR A  16       0.978   1.925   4.245  1.00  0.00      A       
ATOM    198  HD1 TYR A  16       3.348   0.961   4.283  1.00  0.00      A       
ATOM    199  HD2 TYR A  16       2.158   4.095   1.664  1.00  0.00      A       
ATOM    200  HE1 TYR A  16       5.705   1.587   3.971  1.00  0.00      A       
ATOM    201  HE2 TYR A  16       4.512   4.729   1.344  1.00  0.00      A       
ATOM    202  HH  TYR A  16       6.987   3.668   3.319  1.00  0.00      A       
ATOM    203  N   TYR A  16      -0.655   0.484   2.743  1.00  0.00      A       
ATOM    204  O   TYR A  16       1.870  -0.667   3.884  1.00  0.00      A       
ATOM    205  OH  TYR A  16       6.570   3.549   2.462  1.00  0.00      A       
ATOM    206  C   THR A  17       4.367  -1.859   0.895  1.00  0.00      A       
ATOM    207  CA  THR A  17       3.176  -2.003   1.837  1.00  0.00      A       
ATOM    208  CB  THR A  17       2.462  -3.330   1.576  1.00  0.00      A       
ATOM    209  CG2 THR A  17       1.124  -3.437   2.275  1.00  0.00      A       
ATOM    210  HN  THR A  17       2.047  -0.560   0.776  1.00  0.00      A       
ATOM    211  HA  THR A  17       3.534  -1.991   2.855  1.00  0.00      A       
ATOM    212  HB  THR A  17       3.086  -4.138   1.930  1.00  0.00      A       
ATOM    213  HG1 THR A  17       2.616  -4.354  -0.087  1.00  0.00      A       
ATOM    214 HG21 THR A  17       0.340  -3.117   1.604  1.00  0.00      A       
ATOM    215 HG22 THR A  17       1.125  -2.808   3.153  1.00  0.00      A       
ATOM    216 HG23 THR A  17       0.951  -4.463   2.567  1.00  0.00      A       
ATOM    217  N   THR A  17       2.248  -0.889   1.677  1.00  0.00      A       
ATOM    218  O   THR A  17       4.218  -1.928  -0.325  1.00  0.00      A       
ATOM    219  OG1 THR A  17       2.238  -3.515   0.189  1.00  0.00      A       
ATOM    220  C   THR A  18       7.433  -2.853   0.445  1.00  0.00      A       
ATOM    221  CA  THR A  18       6.765  -1.503   0.684  1.00  0.00      A       
ATOM    222  CB  THR A  18       7.738  -0.558   1.392  1.00  0.00      A       
ATOM    223  CG2 THR A  18       7.073   0.688   1.937  1.00  0.00      A       
ATOM    224  HN  THR A  18       5.601  -1.611   2.448  1.00  0.00      A       
ATOM    225  HA  THR A  18       6.492  -1.075  -0.269  1.00  0.00      A       
ATOM    226  HB  THR A  18       8.497  -0.247   0.690  1.00  0.00      A       
ATOM    227  HG1 THR A  18       7.713  -1.511   3.103  1.00  0.00      A       
ATOM    228 HG21 THR A  18       6.013   0.649   1.733  1.00  0.00      A       
ATOM    229 HG22 THR A  18       7.499   1.560   1.463  1.00  0.00      A       
ATOM    230 HG23 THR A  18       7.231   0.744   3.004  1.00  0.00      A       
ATOM    231  N   THR A  18       5.547  -1.657   1.471  1.00  0.00      A       
ATOM    232  O   THR A  18       7.857  -3.158  -0.670  1.00  0.00      A       
ATOM    233  OG1 THR A  18       8.375  -1.213   2.474  1.00  0.00      A       
END


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