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
395834 1s4h 6107 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   GLU A   1      -7.355   4.998  -2.087  1.00  0.00      A       
ATOM      2  CA  GLU A   1      -7.144   6.456  -2.483  1.00  0.00      A       
ATOM      3  CB  GLU A   1      -5.653   6.798  -2.462  1.00  0.00      A       
ATOM      4  CD  GLU A   1      -5.769   8.520  -4.314  1.00  0.00      A       
ATOM      5  CG  GLU A   1      -5.346   8.226  -2.886  1.00  0.00      A       
ATOM      6  HT1 GLU A   1      -7.887   8.312  -1.998  1.00  0.00      A       
ATOM      7  HT2 GLU A   1      -7.317   7.397  -0.662  1.00  0.00      A       
ATOM      8  HT3 GLU A   1      -8.811   6.996  -1.405  1.00  0.00      A       
ATOM      9  HA  GLU A   1      -7.531   6.609  -3.479  1.00  0.00      A       
ATOM     10  HB2 GLU A   1      -5.278   6.655  -1.459  1.00  0.00      A       
ATOM     11  HB1 GLU A   1      -5.132   6.127  -3.129  1.00  0.00      A       
ATOM     12  HG2 GLU A   1      -5.869   8.903  -2.227  1.00  0.00      A       
ATOM     13  HG1 GLU A   1      -4.282   8.392  -2.800  1.00  0.00      A       
ATOM     14  N   GLU A   1      -7.854   7.373  -1.553  1.00  0.00      A       
ATOM     15  O   GLU A   1      -7.358   4.660  -0.903  1.00  0.00      A       
ATOM     16  OE1 GLU A   1      -6.283   7.601  -4.985  1.00  0.00      A       
ATOM     17  OE2 GLU A   1      -5.580   9.670  -4.762  1.00  0.00      A       
ATOM     18  C   GLU A   2      -6.411   1.987  -2.705  1.00  0.00      A       
ATOM     19  CA  GLU A   2      -7.743   2.718  -2.841  1.00  0.00      A       
ATOM     20  CB  GLU A   2      -8.569   2.086  -3.968  1.00  0.00      A       
ATOM     21  CD  GLU A   2      -9.936   4.103  -4.687  1.00  0.00      A       
ATOM     22  CG  GLU A   2      -9.958   2.688  -4.135  1.00  0.00      A       
ATOM     23  HN  GLU A   2      -7.519   4.468  -4.008  1.00  0.00      A       
ATOM     24  HA  GLU A   2      -8.287   2.621  -1.913  1.00  0.00      A       
ATOM     25  HB2 GLU A   2      -8.035   2.209  -4.899  1.00  0.00      A       
ATOM     26  HB1 GLU A   2      -8.681   1.031  -3.766  1.00  0.00      A       
ATOM     27  HG2 GLU A   2     -10.524   2.067  -4.812  1.00  0.00      A       
ATOM     28  HG1 GLU A   2     -10.445   2.702  -3.171  1.00  0.00      A       
ATOM     29  N   GLU A   2      -7.532   4.138  -3.085  1.00  0.00      A       
ATOM     30  O   GLU A   2      -5.609   1.960  -3.638  1.00  0.00      A       
ATOM     31  OE1 GLU A   2      -8.846   4.585  -5.055  1.00  0.00      A       
ATOM     32  OE2 GLU A   2     -11.019   4.720  -4.773  1.00  0.00      A       
ATOM     33  C   ALA A   3      -5.101  -0.264  -0.080  1.00  0.00      A       
ATOM     34  CA  ALA A   3      -4.948   0.666  -1.278  1.00  0.00      A       
ATOM     35  CB  ALA A   3      -3.798   1.637  -1.052  1.00  0.00      A       
ATOM     36  HN  ALA A   3      -6.860   1.454  -0.831  1.00  0.00      A       
ATOM     37  HA  ALA A   3      -4.721   0.075  -2.154  1.00  0.00      A       
ATOM     38  HB1 ALA A   3      -4.184   2.566  -0.660  1.00  0.00      A       
ATOM     39  HB2 ALA A   3      -3.294   1.823  -1.989  1.00  0.00      A       
ATOM     40  HB3 ALA A   3      -3.101   1.211  -0.346  1.00  0.00      A       
ATOM     41  N   ALA A   3      -6.182   1.397  -1.536  1.00  0.00      A       
ATOM     42  O   ALA A   3      -4.140  -0.522   0.645  1.00  0.00      A       
ATOM     43  C   ASP A   4      -6.517  -3.124   0.775  1.00  0.00      A       
ATOM     44  CA  ASP A   4      -6.592  -1.670   1.231  1.00  0.00      A       
ATOM     45  CB  ASP A   4      -7.973  -1.372   1.823  1.00  0.00      A       
ATOM     46  CG  ASP A   4      -8.298  -2.253   3.014  1.00  0.00      A       
ATOM     47  HN  ASP A   4      -7.040  -0.524  -0.492  1.00  0.00      A       
ATOM     48  HA  ASP A   4      -5.842  -1.503   1.990  1.00  0.00      A       
ATOM     49  HB2 ASP A   4      -8.006  -0.341   2.143  1.00  0.00      A       
ATOM     50  HB1 ASP A   4      -8.725  -1.532   1.063  1.00  0.00      A       
ATOM     51  N   ASP A   4      -6.314  -0.766   0.121  1.00  0.00      A       
ATOM     52  O   ASP A   4      -7.370  -3.942   1.120  1.00  0.00      A       
ATOM     53  OD1 ASP A   4      -7.550  -2.202   4.012  1.00  0.00      A       
ATOM     54  OD2 ASP A   4      -9.302  -2.993   2.948  1.00  0.00      A       
ATOM     55  C   ASP A   5      -4.067  -5.440   0.114  1.00  0.00      A       
ATOM     56  CA  ASP A   5      -5.300  -4.794  -0.513  1.00  0.00      A       
ATOM     57  CB  ASP A   5      -5.167  -4.776  -2.038  1.00  0.00      A       
ATOM     58  CG  ASP A   5      -4.987  -6.164  -2.625  1.00  0.00      A       
ATOM     59  HN  ASP A   5      -4.842  -2.744  -0.249  1.00  0.00      A       
ATOM     60  HA  ASP A   5      -6.171  -5.373  -0.243  1.00  0.00      A       
ATOM     61  HB2 ASP A   5      -6.058  -4.339  -2.465  1.00  0.00      A       
ATOM     62  HB1 ASP A   5      -4.312  -4.176  -2.311  1.00  0.00      A       
ATOM     63  N   ASP A   5      -5.489  -3.439  -0.007  1.00  0.00      A       
ATOM     64  O   ASP A   5      -3.170  -5.906  -0.589  1.00  0.00      A       
ATOM     65  OD1 ASP A   5      -4.965  -7.141  -1.846  1.00  0.00      A       
ATOM     66  OD2 ASP A   5      -4.868  -6.273  -3.863  1.00  0.00      A       
ATOM     67  C   ASP A   6      -1.576  -5.553   1.632  1.00  0.00      A       
ATOM     68  CA  ASP A   6      -2.913  -6.056   2.173  1.00  0.00      A       
ATOM     69  CB  ASP A   6      -2.978  -7.581   2.083  1.00  0.00      A       
ATOM     70  CG  ASP A   6      -1.831  -8.259   2.806  1.00  0.00      A       
ATOM     71  HN  ASP A   6      -4.776  -5.083   1.948  1.00  0.00      A       
ATOM     72  HA  ASP A   6      -3.001  -5.763   3.208  1.00  0.00      A       
ATOM     73  HB2 ASP A   6      -3.905  -7.920   2.521  1.00  0.00      A       
ATOM     74  HB1 ASP A   6      -2.950  -7.872   1.044  1.00  0.00      A       
ATOM     75  N   ASP A   6      -4.031  -5.466   1.444  1.00  0.00      A       
ATOM     76  O   ASP A   6      -0.966  -6.184   0.769  1.00  0.00      A       
ATOM     77  OD1 ASP A   6      -0.664  -8.010   2.435  1.00  0.00      A       
ATOM     78  OD2 ASP A   6      -2.099  -9.039   3.745  1.00  0.00      A       
ATOM     79  C   MET A   7       0.456  -2.568   2.520  1.00  0.00      A       
ATOM     80  CA  MET A   7       0.137  -3.826   1.717  1.00  0.00      A       
ATOM     81  CB  MET A   7       0.089  -3.497   0.224  1.00  0.00      A       
ATOM     82  CE  MET A   7      -2.432  -1.017  -1.997  1.00  0.00      A       
ATOM     83  CG  MET A   7      -1.022  -2.528  -0.151  1.00  0.00      A       
ATOM     84  HN  MET A   7      -1.657  -3.956   2.832  1.00  0.00      A       
ATOM     85  HA  MET A   7       0.916  -4.554   1.890  1.00  0.00      A       
ATOM     86  HB2 MET A   7       1.033  -3.060  -0.068  1.00  0.00      A       
ATOM     87  HB1 MET A   7      -0.060  -4.412  -0.330  1.00  0.00      A       
ATOM     88  HE1 MET A   7      -2.628  -0.614  -1.014  1.00  0.00      A       
ATOM     89  HE2 MET A   7      -3.306  -1.545  -2.350  1.00  0.00      A       
ATOM     90  HE3 MET A   7      -2.200  -0.211  -2.676  1.00  0.00      A       
ATOM     91  HG2 MET A   7      -1.971  -2.970   0.119  1.00  0.00      A       
ATOM     92  HG1 MET A   7      -0.882  -1.609   0.401  1.00  0.00      A       
ATOM     93  N   MET A   7      -1.126  -4.413   2.147  1.00  0.00      A       
ATOM     94  O   MET A   7      -0.445  -1.839   2.936  1.00  0.00      A       
ATOM     95  SD  MET A   7      -1.045  -2.147  -1.913  1.00  0.00      A       
ATOM     96  C   GLY A   8       3.523  -1.343   4.131  1.00  0.00      A       
ATOM     97  CA  GLY A   8       2.163  -1.154   3.489  1.00  0.00      A       
ATOM     98  HN  GLY A   8       2.416  -2.940   2.380  1.00  0.00      A       
ATOM     99  HA2 GLY A   8       2.206  -0.305   2.825  1.00  0.00      A       
ATOM    100  HA1 GLY A   8       1.436  -0.958   4.263  1.00  0.00      A       
ATOM    101  N   GLY A   8       1.744  -2.322   2.735  1.00  0.00      A       
ATOM    102  O   GLY A   8       3.626  -1.869   5.239  1.00  0.00      A       
ATOM    103  C   PHE A   9       6.877  -0.112   3.204  1.00  0.00      A       
ATOM    104  CA  PHE A   9       5.928  -1.056   3.933  1.00  0.00      A       
ATOM    105  CB  PHE A   9       6.389  -2.506   3.787  1.00  0.00      A       
ATOM    106  CD1 PHE A   9       7.114  -2.494   1.371  1.00  0.00      A       
ATOM    107  CD2 PHE A   9       5.467  -4.072   2.065  1.00  0.00      A       
ATOM    108  CE1 PHE A   9       7.043  -2.985   0.081  1.00  0.00      A       
ATOM    109  CE2 PHE A   9       5.393  -4.567   0.777  1.00  0.00      A       
ATOM    110  CG  PHE A   9       6.326  -3.033   2.378  1.00  0.00      A       
ATOM    111  CZ  PHE A   9       6.183  -4.023  -0.216  1.00  0.00      A       
ATOM    112  HN  PHE A   9       4.430  -0.519   2.551  1.00  0.00      A       
ATOM    113  HA  PHE A   9       5.918  -0.796   4.981  1.00  0.00      A       
ATOM    114  HB2 PHE A   9       7.409  -2.588   4.128  1.00  0.00      A       
ATOM    115  HB1 PHE A   9       5.757  -3.131   4.401  1.00  0.00      A       
ATOM    116  HD1 PHE A   9       7.789  -1.687   1.598  1.00  0.00      A       
ATOM    117  HD2 PHE A   9       4.850  -4.497   2.841  1.00  0.00      A       
ATOM    118  HE1 PHE A   9       7.661  -2.557  -0.695  1.00  0.00      A       
ATOM    119  HE2 PHE A   9       4.719  -5.379   0.548  1.00  0.00      A       
ATOM    120  HZ  PHE A   9       6.126  -4.408  -1.224  1.00  0.00      A       
ATOM    121  N   PHE A   9       4.571  -0.922   3.430  1.00  0.00      A       
ATOM    122  O   PHE A   9       6.440   0.830   2.542  1.00  0.00      A       
ATOM    123  C   GLY A  10       9.006   0.496   1.171  1.00  0.00      A       
ATOM    124  CA  GLY A  10       9.159   0.476   2.680  1.00  0.00      A       
ATOM    125  HN  GLY A  10       8.465  -1.127   3.873  1.00  0.00      A       
ATOM    126  HA2 GLY A  10       9.050   1.483   3.052  1.00  0.00      A       
ATOM    127  HA1 GLY A  10      10.147   0.116   2.927  1.00  0.00      A       
ATOM    128  N   GLY A  10       8.175  -0.365   3.331  1.00  0.00      A       
ATOM    129  O   GLY A  10       9.669  -0.258   0.460  1.00  0.00      A       
ATOM    130  C   LEU A  11       6.928   2.661  -0.989  1.00  0.00      A       
ATOM    131  CA  LEU A  11       7.875   1.499  -0.741  1.00  0.00      A       
ATOM    132  CB  LEU A  11       7.286   0.196  -1.291  1.00  0.00      A       
ATOM    133  CD1 LEU A  11       6.688  -1.258  -3.250  1.00  0.00      A       
ATOM    134  CD2 LEU A  11       6.088   1.173  -3.285  1.00  0.00      A       
ATOM    135  CG  LEU A  11       7.099   0.139  -2.812  1.00  0.00      A       
ATOM    136  HN  LEU A  11       7.634   1.936   1.310  1.00  0.00      A       
ATOM    137  HA  LEU A  11       8.810   1.701  -1.229  1.00  0.00      A       
ATOM    138  HB2 LEU A  11       7.939  -0.614  -0.999  1.00  0.00      A       
ATOM    139  HB1 LEU A  11       6.320   0.043  -0.828  1.00  0.00      A       
ATOM    140 HD11 LEU A  11       6.427  -1.245  -4.298  1.00  0.00      A       
ATOM    141 HD12 LEU A  11       5.835  -1.580  -2.671  1.00  0.00      A       
ATOM    142 HD13 LEU A  11       7.509  -1.941  -3.091  1.00  0.00      A       
ATOM    143 HD21 LEU A  11       5.565   0.795  -4.151  1.00  0.00      A       
ATOM    144 HD22 LEU A  11       6.601   2.087  -3.545  1.00  0.00      A       
ATOM    145 HD23 LEU A  11       5.379   1.371  -2.494  1.00  0.00      A       
ATOM    146  N   LEU A  11       8.128   1.366   0.688  1.00  0.00      A       
ATOM    147  O   LEU A  11       7.267   3.628  -1.671  1.00  0.00      A       
ATOM    148  C   PHE A  12       4.195   4.004   0.833  1.00  0.00      A       
ATOM    149  CA  PHE A  12       4.725   3.592  -0.542  1.00  0.00      A       
ATOM    150  CB  PHE A  12       3.576   3.101  -1.429  1.00  0.00      A       
ATOM    151  CD1 PHE A  12       2.116   1.980   0.285  1.00  0.00      A       
ATOM    152  CD2 PHE A  12       2.925   0.678  -1.542  1.00  0.00      A       
ATOM    153  CE1 PHE A  12       1.460   0.873   0.786  1.00  0.00      A       
ATOM    154  CE2 PHE A  12       2.270  -0.431  -1.045  1.00  0.00      A       
ATOM    155  CG  PHE A  12       2.856   1.897  -0.885  1.00  0.00      A       
ATOM    156  CZ  PHE A  12       1.537  -0.333   0.121  1.00  0.00      A       
ATOM    157  HN  PHE A  12       5.550   1.760   0.121  1.00  0.00      A       
ATOM    158  HA  PHE A  12       5.185   4.451  -1.007  1.00  0.00      A       
ATOM    159  HB2 PHE A  12       2.852   3.896  -1.539  1.00  0.00      A       
ATOM    160  HB1 PHE A  12       3.970   2.841  -2.403  1.00  0.00      A       
ATOM    161  HD1 PHE A  12       2.050   2.923   0.805  1.00  0.00      A       
ATOM    162  HD2 PHE A  12       3.498   0.600  -2.454  1.00  0.00      A       
ATOM    163  HE1 PHE A  12       0.887   0.952   1.699  1.00  0.00      A       
ATOM    164  HE2 PHE A  12       2.332  -1.375  -1.567  1.00  0.00      A       
ATOM    165  HZ  PHE A  12       1.025  -1.199   0.513  1.00  0.00      A       
ATOM    166  N   PHE A  12       5.742   2.556  -0.414  1.00  0.00      A       
ATOM    167  O   PHE A  12       3.265   4.803   0.934  1.00  0.00      A       
ATOM    168  C   ASP A  13       4.495   5.248   3.537  1.00  0.00      A       
ATOM    169  CA  ASP A  13       4.379   3.754   3.253  1.00  0.00      A       
ATOM    170  CB  ASP A  13       5.232   2.964   4.251  1.00  0.00      A       
ATOM    171  CG  ASP A  13       6.706   3.306   4.152  1.00  0.00      A       
ATOM    172  HN  ASP A  13       5.526   2.818   1.747  1.00  0.00      A       
ATOM    173  HA  ASP A  13       3.347   3.458   3.362  1.00  0.00      A       
ATOM    174  HB2 ASP A  13       4.898   3.184   5.254  1.00  0.00      A       
ATOM    175  HB1 ASP A  13       5.113   1.905   4.060  1.00  0.00      A       
ATOM    176  N   ASP A  13       4.792   3.449   1.889  1.00  0.00      A       
ATOM    177  OT1 ASP A  13       5.338   5.908   2.894  1.00  0.00      A       
ATOM    178  OT2 ASP A  13       3.742   5.746   4.401  1.00  0.00      A       
ATOM    179  OD1 ASP A  13       7.065   4.155   3.309  1.00  0.00      A       
ATOM    180  OD2 ASP A  13       7.503   2.723   4.918  1.00  0.00      A       
END


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, May 10, 2024 6:15:06 PM GMT (wattos1)