NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1026 171d cing 1-original 3 MR format nomenclature mapping


  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1H5*    C   1          1H5*        C   1   6.346   5.768   7.551
    2   2H5*    C   1          2H5*        C   1   7.510   5.334   8.818
    3    H4*    C   1           H4*        C   1   8.137   3.503   7.593
    4    H3*    C   1           H3*        C   1   6.167   4.835   5.804
    5   1H2*    C   1          1H2*        C   1   6.658   2.194   4.585
    6   2H2*    C   1          2H2*        C   1   5.059   2.834   5.091
    7    H1*    C   1           H1*        C   1   6.971   1.053   6.643
    8   1H4     C   1          1H4         C   1   0.730  -1.012   7.607
    9   2H4     C   1          2H4         C   1   1.576  -2.318   6.860
   10    H5     C   1           H5         C   1   1.728   1.169   8.008
   11    H6     C   1           H6         C   1   3.790   2.501   7.728
   12    H5T    C   1           H5T        C   1   5.660   5.221   9.865
   13   1H5*    G   2          1H5*        G   2  10.080   2.611   3.276
   14   2H5*    G   2          2H5*        G   2   9.079   1.730   4.433
   15    H4*    G   2           H4*        G   2   9.992   0.205   2.671
   16    H3*    G   2           H3*        G   2   9.476   2.334   0.936
   17   1H2*    G   2          1H2*        G   2   7.105   2.050   0.727
   18   2H2*    G   2          2H2*        G   2   7.664   0.933  -0.547
   19    H1*    G   2           H1*        G   2   7.560  -0.956   0.899
   20    H8     G   2           H8         G   2   5.349   2.091   1.734
   21    H1     G   2           H1         G   2   2.377  -3.559   1.574
   22   1H2     G   2          1H2         G   2   5.527  -4.865   1.155
   23   2H2     G   2          2H2         G   2   3.841  -5.183   1.294
   24   1H5*    C   3          1H5*        C   3  10.718  -2.552  -1.260
   25   2H5*    C   3          2H5*        C   3  10.046  -2.564   0.378
   26    H4*    C   3           H4*        C   3   9.443  -4.705  -0.426
   27    H3*    C   3           H3*        C   3   9.896  -3.498  -2.952
   28   1H2*    C   3          1H2*        C   3   7.517  -4.561  -3.931
   29   2H2*    C   3          2H2*        C   3   7.683  -2.832  -3.509
   30    H1*    C   3           H1*        C   3   6.542  -5.121  -1.809
   31   1H4     C   3          1H4         C   3   2.317   0.035  -2.008
   32   2H4     C   3          2H4         C   3   1.377  -1.411  -2.065
   33    H5     C   3           H5         C   3   4.751   0.036  -1.945
   34    H6     C   3           H6         C   3   6.744  -1.403  -1.900
   35   1H5*    G   4          1H5*        G   4   7.771  -7.968  -3.560
   36   2H5*    G   4          2H5*        G   4   6.811  -6.604  -2.969
   37    H4*    G   4           H4*        G   4   5.704  -8.575  -4.478
   38    H3*    G   4           H3*        G   4   7.432  -7.378  -6.354
   39   1H2*    G   4          1H2*        G   4   6.224  -5.376  -6.747
   40   2H2*    G   4          2H2*        G   4   5.305  -6.495  -7.860
   41    H1*    G   4           H1*        G   4   3.694  -7.014  -6.208
   42    H8     G   4           H8         G   4   5.329  -3.458  -5.504
   43    H1     G   4           H1         G   4  -1.032  -3.674  -5.839
   44   1H2     G   4          1H2         G   4  -0.620  -7.067  -6.265
   45   2H2     G   4          2H2         G   4  -1.729  -5.753  -6.144
   46   1H5*    A   5          1H5*        A   5   3.712 -10.522  -8.856
   47   2H5*    A   5          2H5*        A   5   3.293  -9.665  -7.365
   48    H4*    A   5           H4*        A   5   1.258  -9.960  -8.758
   49    H3*    A   5           H3*        A   5   3.040  -9.468 -10.905
   50   1H2*    A   5          1H2*        A   5   2.774  -7.155 -11.061
   51   2H2*    A   5          2H2*        A   5   1.259  -7.612 -11.845
   52    H1*    A   5           H1*        A   5  -0.002  -7.482  -9.838
   53    H8     A   5           H8         A   5   3.267  -5.305  -9.355
   54   1H6     A   5          1H6         A   5   0.968  -1.150  -8.400
   55   2H6     A   5          2H6         A   5  -0.689  -0.688  -8.346
   56    H2     A   5           H2         A   5  -3.049  -4.413  -9.234
   57   1H5*    A   6          1H5*        A   6  -1.811 -10.371 -14.031
   58   2H5*    A   6          2H5*        A   6  -1.824 -10.732 -12.299
   59    H4*    A   6           H4*        A   6  -3.772  -9.479 -12.251
   60    H3*    A   6           H3*        A   6  -3.109  -9.171 -14.996
   61   1H2*    A   6          1H2*        A   6  -2.376  -6.953 -14.937
   62   2H2*    A   6          2H2*        A   6  -4.107  -6.616 -14.897
   63    H1*    A   6           H1*        A   6  -4.153  -6.450 -12.519
   64    H8     A   6           H8         A   6  -0.332  -6.231 -13.292
   65   1H6     A   6          1H6         A   6   0.238  -1.551 -12.125
   66   2H6     A   6          2H6         A   6  -0.854  -0.302 -11.650
   67    H2     A   6           H2         A   6  -4.940  -2.153 -11.575
   68   1H5*    T   7          1H5*        T   7  -7.163  -7.261 -13.624
   69   2H5*    T   7          2H5*        T   7  -5.621  -6.490 -13.852
   70    H4*    T   7           H4*        T   7  -8.149  -5.269 -13.784
   71    H3*    T   7           H3*        T   7  -7.678  -5.944 -16.462
   72   1H2*    T   7          1H2*        T   7  -7.136  -3.346 -17.152
   73   2H2*    T   7          2H2*        T   7  -5.824  -4.511 -16.878
   74    H1*    T   7           H1*        T   7  -7.032  -2.485 -14.941
   75    H3     T   7           H3         T   7  -3.354   0.020 -14.418
   76    H6     T   7           H6         T   7  -3.999  -4.487 -15.815
   77   1H5A    T   7          1H5A        T   7  -0.848  -4.116 -15.020
   78   2H5A    T   7          2H5A        T   7  -1.740  -4.667 -16.453
   79   3H5A    T   7          3H5A        T   7  -0.751  -3.192 -16.533
   80   1H5*    T   8          1H5*        T   8 -10.915  -1.644 -16.287
   81   2H5*    T   8          2H5*        T   8  -9.440  -2.064 -15.401
   82    H4*    T   8           H4*        T   8  -9.769   0.470 -15.860
   83    H3*    T   8           H3*        T   8 -10.062  -0.466 -18.557
   84   1H2*    T   8          1H2*        T   8  -8.098   1.359 -19.213
   85   2H2*    T   8          2H2*        T   8  -7.790  -0.390 -19.163
   86    H1*    T   8           H1*        T   8  -7.392   1.689 -16.963
   87    H3     T   8           H3         T   8  -2.928   1.585 -16.990
   88    H6     T   8           H6         T   8  -6.236  -1.589 -18.292
   89   1H5A    T   8          1H5A        T   8  -3.712  -2.481 -19.779
   90   2H5A    T   8          2H5A        T   8  -4.467  -3.309 -18.401
   91   3H5A    T   8          3H5A        T   8  -2.765  -2.805 -18.310
   92   1H5*    C   9          1H5*        C   9 -10.134   4.981 -18.515
   93   2H5*    C   9          2H5*        C   9  -9.086   4.021 -17.458
   94    H4*    C   9           H4*        C   9  -8.006   6.223 -18.115
   95    H3*    C   9           H3*        C   9  -8.952   5.472 -20.747
   96   1H2*    C   9          1H2*        C   9  -6.339   6.067 -21.598
   97   2H2*    C   9          2H2*        C   9  -6.995   4.397 -21.540
   98    H1*    C   9           H1*        C   9  -5.352   5.892 -19.447
   99   1H4     C   9          1H4         C   9  -2.538  -0.027 -20.662
  100   2H4     C   9          2H4         C   9  -1.270   1.076 -20.269
  101    H5     C   9           H5         C   9  -4.898   0.621 -20.735
  102    H6     C   9           H6         C   9  -6.433   2.491 -20.495
  103   1H5*    G  10          1H5*        G  10  -6.078   9.900 -20.832
  104   2H5*    G  10          2H5*        G  10  -5.207   8.564 -20.059
  105    H4*    G  10           H4*        G  10  -3.795  10.341 -21.410
  106    H3*    G  10           H3*        G  10  -5.550   9.573 -23.462
  107   1H2*    G  10          1H2*        G  10  -4.624   7.430 -23.943
  108   2H2*    G  10          2H2*        G  10  -3.543   8.453 -24.943
  109    H1*    G  10           H1*        G  10  -1.889   8.584 -23.245
  110    H8     G  10           H8         G  10  -4.259   5.501 -22.857
  111    H1     G  10           H1         G  10   1.980   4.238 -23.237
  112   1H2     G  10          1H2         G  10   2.373   7.659 -23.258
  113   2H2     G  10          2H2         G  10   3.143   6.117 -23.305
  114   1H5*    C  11          1H5*        C  11  -1.077  12.125 -24.889
  115   2H5*    C  11          2H5*        C  11  -1.190  10.855 -23.664
  116    H4*    C  11           H4*        C  11   1.137  10.968 -24.498
  117    H3*    C  11           H3*        C  11  -0.193  11.395 -27.036
  118   1H2*    C  11          1H2*        C  11   1.735   9.574 -27.996
  119   2H2*    C  11          2H2*        C  11  -0.009   9.207 -27.880
  120    H1*    C  11           H1*        C  11   2.197   8.598 -25.849
  121   1H4     C  11          1H4         C  11  -1.371   3.145 -27.293
  122   2H4     C  11          2H4         C  11   0.281   2.656 -27.235
  123    H5     C  11           H5         C  11  -2.101   5.436 -26.947
  124    H6     C  11           H6         C  11  -1.351   7.729 -26.459
  125   1H5*    G  12          1H5*        G  12   5.198  12.262 -27.745
  126   2H5*    G  12          2H5*        G  12   4.272  11.223 -26.654
  127    H4*    G  12           H4*        G  12   6.244   9.939 -27.313
  128    H3*    G  12           H3*        G  12   5.598  11.130 -29.993
  129   1H2*    G  12          1H2*        G  12   5.620   9.073 -31.162
  130   2H2*    G  12          2H2*        G  12   7.125   8.598 -30.324
  131    H1*    G  12           H1*        G  12   5.977   7.442 -28.666
  132    H8     G  12           H8         G  12   2.605   8.731 -30.215
  133    H1     G  12           H1         G  12   4.004   2.616 -31.346
  134   1H2     G  12          1H2         G  12   7.025   3.301 -29.847
  135   2H2     G  12          2H2         G  12   6.030   2.124 -30.619
  136    H3T    G  12           H3T        G  12   7.594  11.538 -29.838
  137   1H5*    C  13          1H5*        C  13   5.985  -5.936 -33.196
  138   2H5*    C  13          2H5*        C  13   7.149  -5.532 -34.475
  139    H4*    C  13           H4*        C  13   7.834  -3.719 -33.256
  140    H3*    C  13           H3*        C  13   5.847  -4.998 -31.449
  141   1H2*    C  13          1H2*        C  13   6.419  -2.371 -30.236
  142   2H2*    C  13          2H2*        C  13   4.800  -2.968 -30.726
  143    H1*    C  13           H1*        C  13   6.744  -1.238 -32.297
  144   1H4     C  13          1H4         C  13   0.550   0.991 -33.203
  145   2H4     C  13          2H4         C  13   1.438   2.275 -32.464
  146    H5     C  13           H5         C  13   1.487  -1.216 -33.612
  147    H6     C  13           H6         C  13   3.515  -2.602 -33.351
  148    H5T    C  13           H5T        C  13   5.292  -5.371 -35.504
  149   1H5*    G  14          1H5*        G  14   9.841  -2.877 -28.958
  150   2H5*    G  14          2H5*        G  14   8.854  -1.970 -30.107
  151    H4*    G  14           H4*        G  14   9.823  -0.470 -28.355
  152    H3*    G  14           H3*        G  14   9.267  -2.584 -26.613
  153   1H2*    G  14          1H2*        G  14   6.907  -2.237 -26.382
  154   2H2*    G  14          2H2*        G  14   7.507  -1.135 -25.114
  155    H1*    G  14           H1*        G  14   7.440   0.756 -26.559
  156    H8     G  14           H8         G  14   5.141  -2.232 -27.373
  157    H1     G  14           H1         G  14   2.321   3.495 -27.187
  158   1H2     G  14          1H2         G  14   5.508   4.717 -26.798
  159   2H2     G  14          2H2         G  14   3.830   5.079 -26.922
  160   1H5*    C  15          1H5*        C  15  10.659   2.268 -24.431
  161   2H5*    C  15          2H5*        C  15   9.972   2.298 -26.063
  162    H4*    C  15           H4*        C  15   9.434   4.454 -25.255
  163    H3*    C  15           H3*        C  15   9.879   3.236 -22.732
  164   1H2*    C  15          1H2*        C  15   7.537   4.362 -21.731
  165   2H2*    C  15          2H2*        C  15   7.653   2.629 -22.154
  166    H1*    C  15           H1*        C  15   6.557   4.947 -23.844
  167   1H4     C  15          1H4         C  15   2.200  -0.095 -23.603
  168   2H4     C  15          2H4         C  15   1.299   1.375 -23.538
  169    H5     C  15           H5         C  15   4.632  -0.161 -23.689
  170    H6     C  15           H6         C  15   6.662   1.226 -23.754
  171   1H5*    G  16          1H5*        G  16   7.879   7.761 -22.107
  172   2H5*    G  16          2H5*        G  16   6.877   6.423 -22.687
  173    H4*    G  16           H4*        G  16   5.837   8.422 -21.169
  174    H3*    G  16           H3*        G  16   7.550   7.181 -19.309
  175   1H2*    G  16          1H2*        G  16   6.293   5.212 -18.904
  176   2H2*    G  16          2H2*        G  16   5.414   6.355 -17.782
  177    H1*    G  16           H1*        G  16   3.803   6.916 -19.420
  178    H8     G  16           H8         G  16   5.336   3.317 -20.137
  179    H1     G  16           H1         G  16  -1.013   3.701 -19.742
  180   1H2     G  16          1H2         G  16  -0.507   7.083 -19.321
  181   2H2     G  16          2H2         G  16  -1.652   5.798 -19.432
  182   1H5*    A  17          1H5*        A  17   3.938  10.423 -16.774
  183   2H5*    A  17          2H5*        A  17   3.482   9.577 -18.261
  184    H4*    A  17           H4*        A  17   1.469   9.926 -16.848
  185    H3*    A  17           H3*        A  17   3.258   9.387 -14.718
  186   1H2*    A  17          1H2*        A  17   2.932   7.082 -14.558
  187   2H2*    A  17          2H2*        A  17   1.438   7.579 -13.760
  188    H1*    A  17           H1*        A  17   0.154   7.482 -15.755
  189    H8     A  17           H8         A  17   3.361   5.220 -16.268
  190   1H6     A  17          1H6         A  17   0.943   1.126 -17.199
  191   2H6     A  17          2H6         A  17  -0.726   0.709 -17.237
  192    H2     A  17           H2         A  17  -2.978   4.495 -16.329
  193   1H5*    A  18          1H5*        A  18  -1.537  10.419 -11.547
  194   2H5*    A  18          2H5*        A  18  -1.558  10.780 -13.279
  195    H4*    A  18           H4*        A  18  -3.538   9.579 -13.307
  196    H3*    A  18           H3*        A  18  -2.857   9.255 -10.568
  197   1H2*    A  18          1H2*        A  18  -2.185   7.017 -10.633
  198   2H2*    A  18          2H2*        A  18  -3.923   6.726 -10.657
  199    H1*    A  18           H1*        A  18  -3.996   6.563 -13.035
  200    H8     A  18           H8         A  18  -0.175   6.242 -12.298
  201   1H6     A  18          1H6         A  18   0.259   1.548 -13.467
  202   2H6     A  18          2H6         A  18  -0.869   0.329 -13.931
  203    H2     A  18           H2         A  18  -4.908   2.282 -13.960
  204   1H5*    T  19          1H5*        T  19  -6.974   7.452 -11.902
  205   2H5*    T  19          2H5*        T  19  -5.450   6.641 -11.687
  206    H4*    T  19           H4*        T  19  -8.011   5.486 -11.731
  207    H3*    T  19           H3*        T  19  -7.496   6.149  -9.058
  208   1H2*    T  19          1H2*        T  19  -7.016   3.539  -8.371
  209   2H2*    T  19          2H2*        T  19  -5.677   4.668  -8.658
  210    H1*    T  19           H1*        T  19  -6.956   2.674 -10.583
  211    H3     T  19           H3         T  19  -3.350   0.073 -11.140
  212    H6     T  19           H6         T  19  -3.863   4.595  -9.739
  213   1H5A    T  19          1H5A        T  19  -0.731   4.141 -10.564
  214   2H5A    T  19          2H5A        T  19  -1.594   4.716  -9.123
  215   3H5A    T  19          3H5A        T  19  -0.644   3.216  -9.052
  216   1H5*    T  20          1H5*        T  20 -10.849   1.936  -9.201
  217   2H5*    T  20          2H5*        T  20  -9.370   2.317 -10.101
  218    H4*    T  20           H4*        T  20  -9.760  -0.206  -9.636
  219    H3*    T  20           H3*        T  20 -10.003   0.736  -6.936
  220   1H2*    T  20          1H2*        T  20  -8.073  -1.146  -6.297
  221   2H2*    T  20          2H2*        T  20  -7.731   0.596  -6.353
  222    H1*    T  20           H1*        T  20  -7.404  -1.485  -8.560
  223    H3     T  20           H3         T  20  -2.942  -1.503  -8.572
  224    H6     T  20           H6         T  20  -6.152   1.759  -7.241
  225   1H5A    T  20          1H5A        T  20  -3.591   2.585  -5.776
  226   2H5A    T  20          2H5A        T  20  -4.337   3.430  -7.148
  227   3H5A    T  20          3H5A        T  20  -2.651   2.882  -7.256
  228   1H5*    C  21          1H5*        C  21 -10.218  -4.706  -6.972
  229   2H5*    C  21          2H5*        C  21  -9.157  -3.775  -8.041
  230    H4*    C  21           H4*        C  21  -8.132  -6.003  -7.393
  231    H3*    C  21           H3*        C  21  -9.026  -5.225  -4.757
  232   1H2*    C  21          1H2*        C  21  -6.424  -5.881  -3.932
  233   2H2*    C  21          2H2*        C  21  -7.044  -4.211  -3.989
  234    H1*    C  21           H1*        C  21  -5.455  -5.745  -6.083
  235   1H4     C  21          1H4         C  21  -2.474   0.100  -4.904
  236   2H4     C  21          2H4         C  21  -1.240  -1.036  -5.308
  237    H5     C  21           H5         C  21  -4.844  -0.482  -4.803
  238    H6     C  21           H6         C  21  -6.451  -2.307  -5.048
  239   1H5*    G  22          1H5*        G  22  -6.274  -9.727  -4.697
  240   2H5*    G  22          2H5*        G  22  -5.377  -8.415  -5.478
  241    H4*    G  22           H4*        G  22  -4.000 -10.232  -4.140
  242    H3*    G  22           H3*        G  22  -5.712  -9.421  -2.069
  243   1H2*    G  22          1H2*        G  22  -4.726  -7.313  -1.589
  244   2H2*    G  22          2H2*        G  22  -3.660  -8.353  -0.612
  245    H1*    G  22           H1*        G  22  -2.033  -8.523  -2.326
  246    H8     G  22           H8         G  22  -4.320  -5.369  -2.698
  247    H1     G  22           H1         G  22   1.953  -4.283  -2.370
  248   1H2     G  22          1H2         G  22   2.256  -7.713  -2.351
  249   2H2     G  22          2H2         G  22   3.067  -6.191  -2.311
  250   1H5*    C  23          1H5*        C  23  -1.299 -12.088  -0.686
  251   2H5*    C  23          2H5*        C  23  -1.390 -10.814  -1.910
  252    H4*    C  23           H4*        C  23   0.946 -10.994  -1.100
  253    H3*    C  23           H3*        C  23  -0.368 -11.372   1.458
  254   1H2*    C  23          1H2*        C  23   1.615  -9.606   2.386
  255   2H2*    C  23          2H2*        C  23  -0.118  -9.205   2.298
  256    H1*    C  23           H1*        C  23   2.081  -8.646   0.264
  257   1H4     C  23          1H4         C  23  -1.329  -3.100   1.717
  258   2H4     C  23          2H4         C  23   0.334  -2.655   1.644
  259    H5     C  23           H5         C  23  -2.125  -5.370   1.374
  260    H6     C  23           H6         C  23  -1.443  -7.674   0.885
  261   1H5*    G  24          1H5*        G  24   5.002 -12.385   2.117
  262   2H5*    G  24          2H5*        G  24   4.091 -11.325   1.029
  263    H4*    G  24           H4*        G  24   6.104 -10.093   1.672
  264    H3*    G  24           H3*        G  24   5.450 -11.244   4.357
  265   1H2*    G  24          1H2*        G  24   5.539  -9.227   5.511
  266   2H2*    G  24          2H2*        G  24   7.043  -8.780   4.670
  267    H1*    G  24           H1*        G  24   5.911  -7.596   3.028
  268    H8     G  24           H8         G  24   2.528  -8.787   4.591
  269    H1     G  24           H1         G  24   4.096  -2.713   5.720
  270   1H2     G  24          1H2         G  24   7.083  -3.478   4.192
  271   2H2     G  24          2H2         G  24   6.127  -2.274   4.972
  272    H3T    G  24           H3T        G  24   7.438 -11.727   4.182
   
  No H/Q in entry =         272


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