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
645145 6q8l 34337 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ACE A   0     -10.088  -3.874  -0.027  1.00  0.00      A       
ATOM      2  CH3 ACE A   0     -10.999  -4.934  -0.613  1.00  0.00      A       
ATOM      3  H1  ACE A   0     -10.779  -5.922  -0.175  1.00  0.00      A       
ATOM      4  H2  ACE A   0     -12.055  -4.697  -0.391  1.00  0.00      A       
ATOM      5  H3  ACE A   0     -10.910  -5.014  -1.713  1.00  0.00      A       
ATOM      6  O   ACE A   0     -10.452  -3.192   0.932  1.00  0.00      A       
ATOM      7  C   ARG A   1      -7.297  -2.097  -1.549  1.00  0.00      A       
ATOM      8  CA  ARG A   1      -7.910  -2.708  -0.247  1.00  0.00      A       
ATOM      9  CB  ARG A   1      -6.870  -3.255   0.785  1.00  0.00      A       
ATOM     10  CD  ARG A   1      -6.831  -3.964   3.288  1.00  0.00      A       
ATOM     11  CG  ARG A   1      -7.243  -2.904   2.248  1.00  0.00      A       
ATOM     12  CZ  ARG A   1      -8.747  -3.914   4.922  1.00  0.00      A       
ATOM     13  HN  ARG A   1      -8.753  -4.403  -1.396  1.00  0.00      A       
ATOM     14  HA  ARG A   1      -8.426  -1.873   0.258  1.00  0.00      A       
ATOM     15  HB2 ARG A   1      -6.740  -4.348   0.647  1.00  0.00      A       
ATOM     16  HB1 ARG A   1      -5.859  -2.849   0.579  1.00  0.00      A       
ATOM     17  HD2 ARG A   1      -7.071  -4.989   2.937  1.00  0.00      A       
ATOM     18  HD1 ARG A   1      -5.726  -3.960   3.390  1.00  0.00      A       
ATOM     19  HE  ARG A   1      -6.906  -3.330   5.393  1.00  0.00      A       
ATOM     20  HG2 ARG A   1      -6.814  -1.918   2.518  1.00  0.00      A       
ATOM     21  HG1 ARG A   1      -8.335  -2.739   2.316  1.00  0.00      A       
ATOM     22 HH11 ARG A   1     -10.137  -3.806   6.335  1.00  0.00      A       
ATOM     23 HH12 ARG A   1      -8.449  -3.291   6.785  1.00  0.00      A       
ATOM     24 HH21 ARG A   1     -10.608  -4.447   4.357  1.00  0.00      A       
ATOM     25 HH22 ARG A   1      -9.268  -4.484   3.118  1.00  0.00      A       
ATOM     26  N   ARG A   1      -8.895  -3.764  -0.608  1.00  0.00      A       
ATOM     27  NE  ARG A   1      -7.461  -3.700   4.616  1.00  0.00      A       
ATOM     28  NH1 ARG A   1      -9.148  -3.647   6.131  1.00  0.00      A       
ATOM     29  NH2 ARG A   1      -9.634  -4.362   4.065  1.00  0.00      A       
ATOM     30  O   ARG A   1      -6.267  -2.604  -2.008  1.00  0.00      A       
ATOM     31  C   PRO A   2      -5.858   0.520  -2.825  1.00  0.00      A       
ATOM     32  CA  PRO A   2      -7.146  -0.266  -3.260  1.00  0.00      A       
ATOM     33  CB  PRO A   2      -8.279   0.640  -3.783  1.00  0.00      A       
ATOM     34  CD  PRO A   2      -9.090  -0.324  -1.721  1.00  0.00      A       
ATOM     35  CG  PRO A   2      -9.118   0.966  -2.546  1.00  0.00      A       
ATOM     36  HA  PRO A   2      -6.847  -0.970  -4.062  1.00  0.00      A       
ATOM     37  HB2 PRO A   2      -7.911   1.544  -4.303  1.00  0.00      A       
ATOM     38  HB1 PRO A   2      -8.896   0.087  -4.516  1.00  0.00      A       
ATOM     39  HD2 PRO A   2      -9.091  -0.074  -0.642  1.00  0.00      A       
ATOM     40  HD1 PRO A   2      -9.976  -0.955  -1.924  1.00  0.00      A       
ATOM     41  HG2 PRO A   2      -8.642   1.793  -1.983  1.00  0.00      A       
ATOM     42  HG1 PRO A   2     -10.143   1.300  -2.786  1.00  0.00      A       
ATOM     43  N   PRO A   2      -7.850  -1.004  -2.167  1.00  0.00      A       
ATOM     44  O   PRO A   2      -4.889   0.603  -3.582  1.00  0.00      A       
ATOM     45  C   LEU A   3      -3.601   0.604  -0.356  1.00  0.00      A       
ATOM     46  CA  LEU A   3      -4.635   1.638  -0.940  1.00  0.00      A       
ATOM     47  CB  LEU A   3      -5.153   2.633   0.142  1.00  0.00      A       
ATOM     48  CD1 LEU A   3      -7.557   3.520   0.212  1.00  0.00      A       
ATOM     49  CD2 LEU A   3      -5.640   5.161   0.042  1.00  0.00      A       
ATOM     50  CG  LEU A   3      -6.133   3.753  -0.331  1.00  0.00      A       
ATOM     51  HN  LEU A   3      -6.680   0.798  -1.051  1.00  0.00      A       
ATOM     52  HA  LEU A   3      -4.081   2.233  -1.694  1.00  0.00      A       
ATOM     53  HB2 LEU A   3      -5.601   2.052   0.974  1.00  0.00      A       
ATOM     54  HB1 LEU A   3      -4.268   3.091   0.623  1.00  0.00      A       
ATOM     55 HD11 LEU A   3      -8.302   4.111  -0.351  1.00  0.00      A       
ATOM     56 HD12 LEU A   3      -7.867   2.462   0.130  1.00  0.00      A       
ATOM     57 HD13 LEU A   3      -7.651   3.798   1.278  1.00  0.00      A       
ATOM     58 HD21 LEU A   3      -5.241   5.204   1.073  1.00  0.00      A       
ATOM     59 HD22 LEU A   3      -4.831   5.488  -0.637  1.00  0.00      A       
ATOM     60 HD23 LEU A   3      -6.440   5.920  -0.027  1.00  0.00      A       
ATOM     61  HG  LEU A   3      -6.205   3.727  -1.437  1.00  0.00      A       
ATOM     62  N   LEU A   3      -5.834   1.029  -1.579  1.00  0.00      A       
ATOM     63  O   LEU A   3      -2.945   0.848   0.662  1.00  0.00      A       
ATOM     64  C   ASP A   4      -0.799  -0.740  -1.289  1.00  0.00      A       
ATOM     65  CA  ASP A   4      -2.187  -1.386  -0.899  1.00  0.00      A       
ATOM     66  CB  ASP A   4      -2.557  -2.667  -1.702  1.00  0.00      A       
ATOM     67  CG  ASP A   4      -1.699  -3.882  -1.400  1.00  0.00      A       
ATOM     68  HN  ASP A   4      -3.925  -0.545  -1.946  1.00  0.00      A       
ATOM     69  HA  ASP A   4      -2.124  -1.655   0.173  1.00  0.00      A       
ATOM     70  HB2 ASP A   4      -3.595  -2.986  -1.480  1.00  0.00      A       
ATOM     71  HB1 ASP A   4      -2.540  -2.475  -2.791  1.00  0.00      A       
ATOM     72  N   ASP A   4      -3.371  -0.505  -1.081  1.00  0.00      A       
ATOM     73  O   ASP A   4       0.250  -1.212  -0.845  1.00  0.00      A       
ATOM     74  OD1 ASP A   4      -1.954  -4.534  -0.360  1.00  0.00      A       
ATOM     75  OD2 ASP A   4      -0.738  -4.157  -2.145  1.00  0.00      A       
ATOM     76  C   THR A   5       0.618   2.527  -2.024  1.00  0.00      A       
ATOM     77  CA  THR A   5       0.402   1.066  -2.593  1.00  0.00      A       
ATOM     78  CB  THR A   5       0.489   0.952  -4.170  1.00  0.00      A       
ATOM     79  CG2 THR A   5      -0.395  -0.090  -4.896  1.00  0.00      A       
ATOM     80  HN  THR A   5      -1.757   0.613  -2.370  1.00  0.00      A       
ATOM     81  HA  THR A   5       1.283   0.537  -2.204  1.00  0.00      A       
ATOM     82  HB  THR A   5       1.538   0.688  -4.412  1.00  0.00      A       
ATOM     83  HG1 THR A   5       0.837   2.834  -4.456  1.00  0.00      A       
ATOM     84 HG21 THR A   5      -0.298  -1.098  -4.447  1.00  0.00      A       
ATOM     85 HG22 THR A   5      -1.465   0.185  -4.824  1.00  0.00      A       
ATOM     86 HG23 THR A   5      -0.156  -0.173  -5.969  1.00  0.00      A       
ATOM     87  N   THR A   5      -0.810   0.356  -2.074  1.00  0.00      A       
ATOM     88  O   THR A   5       1.460   3.273  -2.531  1.00  0.00      A       
ATOM     89  OG1 THR A   5       0.211   2.193  -4.814  1.00  0.00      A       
ATOM     90  C   VAL A   6       0.689   4.053   1.108  1.00  0.00      A       
ATOM     91  CA  VAL A   6      -0.044   4.229  -0.265  1.00  0.00      A       
ATOM     92  CB  VAL A   6      -1.503   4.841  -0.206  1.00  0.00      A       
ATOM     93  CG1 VAL A   6      -1.872   5.665   1.054  1.00  0.00      A       
ATOM     94  CG2 VAL A   6      -1.844   5.670  -1.472  1.00  0.00      A       
ATOM     95  HN  VAL A   6      -0.784   2.175  -0.695  1.00  0.00      A       
ATOM     96  HA  VAL A   6       0.604   4.929  -0.830  1.00  0.00      A       
ATOM     97  HB  VAL A   6      -2.228   4.003  -0.178  1.00  0.00      A       
ATOM     98 HG11 VAL A   6      -2.894   6.082   0.998  1.00  0.00      A       
ATOM     99 HG12 VAL A   6      -1.856   5.040   1.967  1.00  0.00      A       
ATOM    100 HG13 VAL A   6      -1.176   6.507   1.224  1.00  0.00      A       
ATOM    101 HG21 VAL A   6      -2.214   6.690  -1.249  1.00  0.00      A       
ATOM    102 HG22 VAL A   6      -0.983   5.806  -2.153  1.00  0.00      A       
ATOM    103 HG23 VAL A   6      -2.632   5.178  -2.071  1.00  0.00      A       
ATOM    104  N   VAL A   6      -0.131   2.914  -0.977  1.00  0.00      A       
ATOM    105  O   VAL A   6       1.690   4.725   1.367  1.00  0.00      A       
ATOM    106  C   GLN A   7       2.159   1.945   3.143  1.00  0.00      A       
ATOM    107  CA  GLN A   7       0.858   2.799   3.262  1.00  0.00      A       
ATOM    108  CB  GLN A   7      -0.213   2.112   4.163  1.00  0.00      A       
ATOM    109  CD  GLN A   7      -1.935   2.499   6.088  1.00  0.00      A       
ATOM    110  CG  GLN A   7      -0.856   3.091   5.174  1.00  0.00      A       
ATOM    111  HN  GLN A   7      -0.598   2.619   1.606  1.00  0.00      A       
ATOM    112  HA  GLN A   7       1.194   3.737   3.751  1.00  0.00      A       
ATOM    113  HB2 GLN A   7      -1.007   1.618   3.562  1.00  0.00      A       
ATOM    114  HB1 GLN A   7       0.229   1.271   4.733  1.00  0.00      A       
ATOM    115 HE21 GLN A   7      -1.863   4.151   7.202  1.00  0.00      A       
ATOM    116 HE22 GLN A   7      -3.029   2.808   7.693  1.00  0.00      A       
ATOM    117  HG2 GLN A   7      -0.049   3.512   5.806  1.00  0.00      A       
ATOM    118  HG1 GLN A   7      -1.293   3.949   4.631  1.00  0.00      A       
ATOM    119  N   GLN A   7       0.187   3.161   1.982  1.00  0.00      A       
ATOM    120  NE2 GLN A   7      -2.324   3.243   7.094  1.00  0.00      A       
ATOM    121  O   GLN A   7       3.055   2.074   3.979  1.00  0.00      A       
ATOM    122  OE1 GLN A   7      -2.446   1.396   5.923  1.00  0.00      A       
ATOM    123  C   ARG A   8       3.388  -0.372   0.477  1.00  0.00      A       
ATOM    124  CA  ARG A   8       3.381   0.123   1.962  1.00  0.00      A       
ATOM    125  CB  ARG A   8       3.357  -1.013   3.031  1.00  0.00      A       
ATOM    126  CD  ARG A   8       2.267  -3.354   2.835  1.00  0.00      A       
ATOM    127  CG  ARG A   8       2.059  -1.857   3.127  1.00  0.00      A       
ATOM    128  CZ  ARG A   8      -0.062  -4.210   2.487  1.00  0.00      A       
ATOM    129  HN  ARG A   8       1.462   1.109   1.479  1.00  0.00      A       
ATOM    130  HA  ARG A   8       4.327   0.670   2.134  1.00  0.00      A       
ATOM    131  HB2 ARG A   8       4.243  -1.658   2.874  1.00  0.00      A       
ATOM    132  HB1 ARG A   8       3.540  -0.555   4.022  1.00  0.00      A       
ATOM    133  HD2 ARG A   8       2.547  -3.514   1.771  1.00  0.00      A       
ATOM    134  HD1 ARG A   8       3.137  -3.733   3.408  1.00  0.00      A       
ATOM    135  HE  ARG A   8       1.048  -4.715   4.052  1.00  0.00      A       
ATOM    136  HG2 ARG A   8       1.598  -1.710   4.122  1.00  0.00      A       
ATOM    137  HG1 ARG A   8       1.298  -1.461   2.424  1.00  0.00      A       
ATOM    138 HH11 ARG A   8      -1.868  -4.968   2.321  1.00  0.00      A       
ATOM    139 HH12 ARG A   8      -0.888  -5.461   3.792  1.00  0.00      A       
ATOM    140 HH21 ARG A   8      -1.014  -3.896   0.736  1.00  0.00      A       
ATOM    141 HH22 ARG A   8       0.548  -2.990   1.056  1.00  0.00      A       
ATOM    142  N   ARG A   8       2.240   1.052   2.146  1.00  0.00      A       
ATOM    143  NE  ARG A   8       1.056  -4.135   3.209  1.00  0.00      A       
ATOM    144  NH1 ARG A   8      -1.030  -4.964   2.910  1.00  0.00      A       
ATOM    145  NH2 ARG A   8      -0.241  -3.560   1.371  1.00  0.00      A       
ATOM    146  O   ARG A   8       2.904  -1.481   0.222  1.00  0.00      A       
ATOM    147  C   PRO A   9       5.050  -1.309  -2.091  1.00  0.00      A       
ATOM    148  CA  PRO A   9       4.025  -0.150  -1.928  1.00  0.00      A       
ATOM    149  CB  PRO A   9       4.378   1.147  -2.696  1.00  0.00      A       
ATOM    150  CD  PRO A   9       4.496   1.726  -0.370  1.00  0.00      A       
ATOM    151  CG  PRO A   9       5.197   1.973  -1.705  1.00  0.00      A       
ATOM    152  HA  PRO A   9       3.053  -0.549  -2.269  1.00  0.00      A       
ATOM    153  HB2 PRO A   9       4.920   0.977  -3.646  1.00  0.00      A       
ATOM    154  HB1 PRO A   9       3.457   1.697  -2.969  1.00  0.00      A       
ATOM    155  HD2 PRO A   9       5.218   1.794   0.466  1.00  0.00      A       
ATOM    156  HD1 PRO A   9       3.695   2.473  -0.194  1.00  0.00      A       
ATOM    157  HG2 PRO A   9       6.238   1.596  -1.664  1.00  0.00      A       
ATOM    158  HG1 PRO A   9       5.250   3.045  -1.972  1.00  0.00      A       
ATOM    159  N   PRO A   9       3.918   0.374  -0.541  1.00  0.00      A       
ATOM    160  O   PRO A   9       5.738  -1.737  -1.155  1.00  0.00      A       
ATOM    161  C   LYS A  10       7.723  -2.090  -3.861  1.00  0.00      A       
ATOM    162  CA  LYS A  10       6.290  -2.740  -3.695  1.00  0.00      A       
ATOM    163  CB  LYS A  10       5.777  -3.486  -4.954  1.00  0.00      A       
ATOM    164  CD  LYS A  10       3.647  -4.467  -6.046  1.00  0.00      A       
ATOM    165  CE  LYS A  10       3.282  -5.910  -6.452  1.00  0.00      A       
ATOM    166  CG  LYS A  10       4.502  -4.361  -4.761  1.00  0.00      A       
ATOM    167  HN  LYS A  10       4.640  -1.297  -4.042  1.00  0.00      A       
ATOM    168  HA  LYS A  10       6.395  -3.495  -2.889  1.00  0.00      A       
ATOM    169  HB2 LYS A  10       5.633  -2.734  -5.756  1.00  0.00      A       
ATOM    170  HB1 LYS A  10       6.582  -4.138  -5.342  1.00  0.00      A       
ATOM    171  HD2 LYS A  10       2.714  -3.884  -5.898  1.00  0.00      A       
ATOM    172  HD1 LYS A  10       4.145  -3.920  -6.873  1.00  0.00      A       
ATOM    173  HE2 LYS A  10       3.977  -6.648  -5.990  1.00  0.00      A       
ATOM    174  HE1 LYS A  10       2.281  -6.176  -6.039  1.00  0.00      A       
ATOM    175  HG2 LYS A  10       4.806  -5.349  -4.361  1.00  0.00      A       
ATOM    176  HG1 LYS A  10       3.858  -3.955  -3.953  1.00  0.00      A       
ATOM    177  HZ1 LYS A  10       2.665  -5.392  -8.400  1.00  0.00      A       
ATOM    178  HZ2 LYS A  10       4.246  -5.807  -8.310  1.00  0.00      A       
ATOM    179  HZ3 LYS A  10       3.096  -6.980  -8.278  1.00  0.00      A       
ATOM    180  N   LYS A  10       5.210  -1.771  -3.335  1.00  0.00      A       
ATOM    181  NZ  LYS A  10       3.316  -6.037  -7.934  1.00  0.00      A       
ATOM    182  O   LYS A  10       8.518  -2.496  -4.710  1.00  0.00      A       
ATOM    183  C   GLY A  11       9.900  -0.501  -1.292  1.00  0.00      A       
ATOM    184  CA  GLY A  11       9.428  -0.598  -2.771  1.00  0.00      A       
ATOM    185  HN  GLY A  11       7.283  -0.939  -2.328  1.00  0.00      A       
ATOM    186  HA2 GLY A  11      10.184  -1.174  -3.337  1.00  0.00      A       
ATOM    187  HA1 GLY A  11       9.471   0.423  -3.195  1.00  0.00      A       
ATOM    188  N   GLY A  11       8.052  -1.122  -2.989  1.00  0.00      A       
ATOM    189  O   GLY A  11      10.836   0.248  -1.013  1.00  0.00      A       
ATOM    190  C   TYR A  12       9.848  -2.725   1.547  1.00  0.00      A       
ATOM    191  CA  TYR A  12       9.613  -1.251   1.090  1.00  0.00      A       
ATOM    192  CB  TYR A  12       8.507  -0.477   1.890  1.00  0.00      A       
ATOM    193  CD1 TYR A  12       9.168   1.962   1.523  1.00  0.00      A       
ATOM    194  CD2 TYR A  12       9.029   1.134   3.788  1.00  0.00      A       
ATOM    195  CE1 TYR A  12       9.551   3.215   2.003  1.00  0.00      A       
ATOM    196  CE2 TYR A  12       9.402   2.389   4.266  1.00  0.00      A       
ATOM    197  CG  TYR A  12       8.916   0.912   2.409  1.00  0.00      A       
ATOM    198  CZ  TYR A  12       9.665   3.423   3.378  1.00  0.00      A       
ATOM    199  HN  TYR A  12       8.497  -1.793  -0.744  1.00  0.00      A       
ATOM    200  HA  TYR A  12      10.590  -0.751   1.254  1.00  0.00      A       
ATOM    201  HB2 TYR A  12       7.574  -0.373   1.301  1.00  0.00      A       
ATOM    202  HB1 TYR A  12       8.174  -1.089   2.750  1.00  0.00      A       
ATOM    203  HD1 TYR A  12       9.090   1.808   0.455  1.00  0.00      A       
ATOM    204  HD2 TYR A  12       8.831   0.341   4.493  1.00  0.00      A       
ATOM    205  HE1 TYR A  12       9.763   4.011   1.309  1.00  0.00      A       
ATOM    206  HE2 TYR A  12       9.489   2.559   5.331  1.00  0.00      A       
ATOM    207  HH  TYR A  12      10.221   5.232   3.118  1.00  0.00      A       
ATOM    208  N   TYR A  12       9.272  -1.241  -0.360  1.00  0.00      A       
ATOM    209  O   TYR A  12      10.980  -3.162   1.734  1.00  0.00      A       
ATOM    210  OH  TYR A  12      10.045   4.648   3.857  1.00  0.00      A       
ATOM    211  HN1 NH2 A  13       9.124  -4.494   2.053  1.00  0.00      A       
ATOM    212  HN2 NH2 A  13       7.894  -3.192   1.610  1.00  0.00      A       
ATOM    213  N   NH2 A  13       8.840  -3.560   1.742  1.00  0.00      A       
END


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