NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1022 170d cing 1-original 7 MR format nomenclature mapping


  Entry H atom name         Orig H atom name
    1   1H5*    C   1          1H5*        C   1   9.830   8.920  -1.159
    2   2H5*    C   1          2H5*        C   1   8.093   9.078  -0.896
    3    H4*    C   1           H4*        C   1   9.798   6.591  -0.309
    4    H3*    C   1           H3*        C   1   8.270   7.554  -2.663
    5   1H2*    C   1          1H2*        C   1   7.679   4.661  -2.501
    6   2H2*    C   1          2H2*        C   1   6.440   5.960  -2.453
    7    H1*    C   1           H1*        C   1   7.789   4.544  -0.140
    8   1H4     C   1          1H4         C   1   1.314   5.362   1.173
    9   2H4     C   1          2H4         C   1   1.620   3.664   1.194
   10    H5     C   1           H5         C   1   3.010   7.013   0.568
   11    H6     C   1           H6         C   1   5.365   7.292  -0.125
   12    H5T    C   1           H5T        C   1   8.417   9.025   1.204
   13   1H5*    G   2          1H5*        G   2   9.976   3.665  -2.132
   14   2H5*    G   2          2H5*        G   2  11.008   3.158  -3.473
   15    H4*    G   2           H4*        G   2   9.819   1.242  -2.271
   16    H3*    G   2           H3*        G   2  10.381   1.612  -4.946
   17   1H2*    G   2          1H2*        G   2   8.197   2.149  -5.719
   18   2H2*    G   2          2H2*        G   2   8.136   0.377  -5.803
   19    H1*    G   2           H1*        G   2   7.139   0.150  -3.675
   20    H8     G   2           H8         G   2   6.409   3.843  -4.996
   21    H1     G   2           H1         G   2   1.349   0.187  -3.595
   22   1H2     G   2          1H2         G   2   3.674  -2.160  -2.673
   23   2H2     G   2          2H2         G   2   2.008  -1.758  -2.828
   24   1H5*    C   3          1H5*        C   3   8.801  -2.390  -3.505
   25   2H5*    C   3          2H5*        C   3   9.743  -3.738  -4.174
   26    H4*    C   3           H4*        C   3   7.474  -4.568  -3.950
   27    H3*    C   3           H3*        C   3   8.628  -4.157  -6.568
   28   1H2*    C   3          1H2*        C   3   5.986  -4.614  -7.428
   29   2H2*    C   3          2H2*        C   3   6.811  -3.040  -7.550
   30    H1*    C   3           H1*        C   3   5.001  -4.077  -5.346
   31   1H4     C   3          1H4         C   3   2.761   1.889  -7.307
   32   2H4     C   3          2H4         C   3   1.384   0.943  -6.871
   33    H5     C   3           H5         C   3   5.060   1.025  -7.243
   34    H6     C   3           H6         C   3   6.419  -0.959  -6.721
   35   1H5*    G   4          1H5*        G   4   4.922  -6.350  -6.311
   36   2H5*    G   4          2H5*        G   4   5.446  -8.031  -6.455
   37    H4*    G   4           H4*        G   4   3.313  -8.224  -7.403
   38    H3*    G   4           H3*        G   4   5.404  -8.175  -9.276
   39   1H2*    G   4          1H2*        G   4   4.918  -6.062 -10.289
   40   2H2*    G   4          2H2*        G   4   3.785  -7.083 -11.204
   41    H1*    G   4           H1*        G   4   1.979  -6.617  -9.740
   42    H8     G   4           H8         G   4   4.750  -3.899 -10.052
   43    H1     G   4           H1         G   4  -1.276  -1.780 -10.308
   44   1H2     G   4          1H2         G   4  -2.126  -5.021  -9.514
   45   2H2     G   4          2H2         G   4  -2.679  -3.430  -9.855
   46   1H5*    A   5          1H5*        A   5   0.982  -8.327  -9.985
   47   2H5*    A   5          2H5*        A   5   0.712  -9.853 -10.842
   48    H4*    A   5           H4*        A   5  -1.173  -8.483 -11.447
   49    H3*    A   5           H3*        A   5   0.780  -9.127 -13.418
   50   1H2*    A   5          1H2*        A   5   1.281  -6.964 -14.122
   51   2H2*    A   5          2H2*        A   5  -0.278  -7.069 -14.933
   52    H1*    A   5           H1*        A   5  -1.459  -6.081 -13.123
   53    H8     A   5           H8         A   5   2.384  -5.018 -12.755
   54   1H6     A   5          1H6         A   5   1.619  -0.242 -13.284
   55   2H6     A   5          2H6         A   5   0.200   0.708 -13.540
   56    H2     A   5           H2         A   5  -3.253  -2.148 -13.607
   57   1H5*    A   6          1H5*        A   6  -3.319  -8.154 -13.674
   58   2H5*    A   6          2H5*        A   6  -4.355  -9.199 -14.669
   59    H4*    A   6           H4*        A   6  -5.488  -7.030 -14.280
   60    H3*    A   6           H3*        A   6  -5.010  -8.206 -16.774
   61   1H2*    A   6          1H2*        A   6  -3.660  -6.497 -17.743
   62   2H2*    A   6          2H2*        A   6  -5.239  -5.691 -17.953
   63    H1*    A   6           H1*        A   6  -4.991  -4.413 -15.935
   64    H8     A   6           H8         A   6  -1.539  -5.927 -16.931
   65   1H6     A   6          1H6         A   6   0.843  -1.698 -17.457
   66   2H6     A   6          2H6         A   6   0.350  -0.049 -17.312
   67    H2     A   6           H2         A   6  -3.992  -0.089 -16.218
   68   1H5*    T   7          1H5*        T   7  -7.270  -4.655 -16.387
   69   2H5*    T   7          2H5*        T   7  -8.967  -4.928 -16.775
   70    H4*    T   7           H4*        T   7  -8.780  -2.662 -17.280
   71    H3*    T   7           H3*        T   7  -8.827  -4.396 -19.513
   72   1H2*    T   7          1H2*        T   7  -7.533  -2.510 -21.029
   73   2H2*    T   7          2H2*        T   7  -6.681  -3.922 -20.361
   74    H1*    T   7           H1*        T   7  -6.952  -1.134 -19.184
   75    H3     T   7           H3         T   7  -2.707   0.131 -19.728
   76    H6     T   7           H6         T   7  -4.749  -4.152 -19.369
   77   1H5A    T   7          1H5A        T   7  -2.082  -4.690 -20.766
   78   2H5A    T   7          2H5A        T   7  -2.558  -5.152 -19.117
   79   3H5A    T   7          3H5A        T   7  -1.103  -4.160 -19.384
   80   1H5*    T   8          1H5*        T   8  -9.693   0.360 -20.145
   81   2H5*    T   8          2H5*        T   8 -10.918   0.329 -21.416
   82    H4*    T   8           H4*        T   8  -9.355   2.291 -21.663
   83    H3*    T   8           H3*        T   8 -10.078   0.398 -23.684
   84   1H2*    T   8          1H2*        T   8  -7.836   1.276 -25.089
   85   2H2*    T   8          2H2*        T   8  -7.904  -0.299 -24.264
   86    H1*    T   8           H1*        T   8  -6.861   2.376 -23.203
   87    H3     T   8           H3         T   8  -2.524   1.245 -23.244
   88    H6     T   8           H6         T   8  -6.518  -1.355 -22.909
   89   1H5A    T   8          1H5A        T   8  -4.240  -3.223 -21.906
   90   2H5A    T   8          2H5A        T   8  -3.447  -3.251 -23.493
   91   3H5A    T   8          3H5A        T   8  -5.220  -3.354 -23.379
   92   1H5*  CAR   9           H5*      ARA   9  -8.192   5.017 -24.554
   93   2H5*  CAR   9          H5**      ARA   9  -8.810   5.294 -26.192
   94    H4*  CAR   9           H4*      ARA   9  -6.442   6.194 -25.853
   95    H3*  CAR   9           H3*      ARA   9  -7.059   4.030 -27.879
   96   1H2*  CAR   9          H2**      ARA   9  -4.505   5.542 -28.059
   97   2H2*  CAR   9           H2*      ARA   9  -5.039   3.938 -29.486
   98    H1*  CAR   9           H1*      ARA   9  -3.804   5.011 -25.960
   99   1H4   CAR   9           H41      ARA   9  -2.495  -1.500 -25.886
  100   2H4   CAR   9           H42      ARA   9  -0.992  -0.705 -26.161
  101    H5   CAR   9           H5       ARA   9  -4.622  -0.331 -25.811
  102    H6   CAR   9           H6       ARA   9  -5.674   1.870 -25.938
  103   1H5*    G  10          1H5*        G  10  -4.892   7.900 -28.966
  104   2H5*    G  10          2H5*        G  10  -5.291   8.246 -30.658
  105    H4*    G  10           H4*        G  10  -2.770   8.474 -29.885
  106    H3*    G  10           H3*        G  10  -3.983   7.936 -32.335
  107   1H2*    G  10          1H2*        G  10  -3.541   5.604 -32.469
  108   2H2*    G  10          2H2*        G  10  -2.013   6.239 -33.096
  109    H1*    G  10           H1*        G  10  -0.930   6.107 -31.016
  110    H8     G  10           H8         G  10  -4.075   3.819 -30.582
  111    H1     G  10           H1         G  10   1.600   0.878 -30.439
  112   1H2     G  10          1H2         G  10   2.901   4.032 -30.875
  113   2H2     G  10          2H2         G  10   3.225   2.355 -30.665
  114   1H5*    C  11          1H5*        C  11   1.001   7.996 -32.384
  115   2H5*    C  11          2H5*        C  11   1.186   8.860 -33.914
  116    H4*    C  11           H4*        C  11   2.906   7.054 -33.728
  117    H3*    C  11           H3*        C  11   1.006   7.370 -35.861
  118   1H2*    C  11          1H2*        C  11   1.758   4.759 -36.592
  119   2H2*    C  11          2H2*        C  11   0.167   5.174 -35.898
  120    H1*    C  11           H1*        C  11   2.695   4.227 -34.460
  121   1H4     C  11          1H4         C  11  -2.322   0.096 -32.879
  122   2H4     C  11          2H4         C  11  -0.856  -0.802 -32.773
  123    H5     C  11           H5         C  11  -2.411   2.440 -33.568
  124    H6     C  11           H6         C  11  -1.036   4.388 -34.196
  125    H4*    G  12           H4*        G  12   6.738   3.511 -37.139
  126    H3*    G  12           H3*        G  12   5.407   4.507 -39.583
  127    H1*    G  12           H1*        G  12   5.763   0.972 -37.941
  128    H8     G  12           H8         G  12   2.265   2.411 -39.184
  129    H1     G  12           H1         G  12   2.306  -3.660 -37.202
  130    H3T    G  12           H3T        G  12   7.333   3.830 -40.439
  131    H5*    G  12           H5*        G  12   5.218   5.096 -36.096
  132    H2*    G  12           H2*        G  12   4.550   2.440 -40.292
  133    H21    G  12           H21        G  12   5.636  -3.107 -36.498
  134    H22    G  12           H22        G  12   4.322  -4.216 -36.476
  135   1H5*    C  13          1H5*        C  13   3.072 -12.935 -35.951
  136   2H5*    C  13          2H5*        C  13   1.550 -12.094 -36.231
  137    H4*    C  13           H4*        C  13   4.379 -11.007 -36.798
  138    H3*    C  13           H3*        C  13   2.546 -10.927 -34.464
  139   1H2*    C  13          1H2*        C  13   3.700  -8.202 -34.611
  140   2H2*    C  13          2H2*        C  13   1.942  -8.581 -34.677
  141    H1*    C  13           H1*        C  13   3.876  -8.176 -36.980
  142   1H4     C  13          1H4         C  13  -1.908  -5.190 -38.351
  143   2H4     C  13          2H4         C  13  -0.693  -3.964 -38.367
  144    H5     C  13           H5         C  13  -1.455  -7.507 -37.737
  145    H6     C  13           H6         C  13   0.327  -9.073 -37.022
  146    H5T    C  13           H5T        C  13   1.855 -12.248 -38.333
  147   1H5*    G  14          1H5*        G  14   6.161  -8.685 -34.961
  148   2H5*    G  14          2H5*        G  14   7.288  -8.856 -33.613
  149    H4*    G  14           H4*        G  14   7.403  -6.604 -34.824
  150    H3*    G  14           H3*        G  14   7.627  -7.217 -32.136
  151   1H2*    G  14          1H2*        G  14   5.521  -6.426 -31.388
  152   2H2*    G  14          2H2*        G  14   6.477  -4.931 -31.301
  153    H1*    G  14           H1*        G  14   5.798  -4.178 -33.437
  154    H8     G  14           H8         G  14   3.094  -6.808 -32.132
  155    H1     G  14           H1         G  14   1.013  -0.935 -33.568
  156   1H2     G  14          1H2         G  14   4.263  -0.321 -34.465
  157   2H2     G  14          2H2         G  14   2.665   0.294 -34.323
  158   1H5*    C  15          1H5*        C  15   8.614  -3.032 -33.582
  159   2H5*    C  15          2H5*        C  15  10.142  -2.452 -32.904
  160    H4*    C  15           H4*        C  15   8.748  -0.486 -33.143
  161    H3*    C  15           H3*        C  15   9.443  -1.471 -30.525
  162   1H2*    C  15          1H2*        C  15   7.516   0.409 -29.680
  163   2H2*    C  15          2H2*        C  15   7.303  -1.356 -29.556
  164    H1*    C  15           H1*        C  15   6.420   0.519 -31.774
  165   1H4     C  15          1H4         C  15   1.176  -3.124 -29.850
  166   2H4     C  15          2H4         C  15   0.583  -1.566 -30.294
  167    H5     C  15           H5         C  15   3.561  -3.712 -29.887
  168    H6     C  15           H6         C  15   5.809  -2.853 -30.392
  169   1H5*    G  16          1H5*        G  16   7.629   2.437 -30.805
  170   2H5*    G  16          2H5*        G  16   9.021   3.524 -30.649
  171    H4*    G  16           H4*        G  16   7.355   4.894 -29.719
  172    H3*    G  16           H3*        G  16   9.040   3.680 -27.830
  173   1H2*    G  16          1H2*        G  16   7.429   2.213 -26.824
  174   2H2*    G  16          2H2*        G  16   7.065   3.696 -25.916
  175    H1*    G  16           H1*        G  16   5.330   4.343 -27.401
  176    H8     G  16           H8         G  16   6.069   0.523 -27.071
  177    H1     G  16           H1         G  16  -0.095   2.194 -26.880
  178   1H2     G  16          1H2         G  16   1.044   5.347 -27.672
  179   2H2     G  16          2H2         G  16  -0.316   4.348 -27.329
  180   1H5*    A  17          1H5*        A  17   5.474   6.309 -27.157
  181   2H5*    A  17          2H5*        A  17   6.107   7.721 -26.300
  182    H4*    A  17           H4*        A  17   3.774   7.663 -25.715
  183    H3*    A  17           H3*        A  17   5.732   7.095 -23.723
  184   1H2*    A  17          1H2*        A  17   4.913   5.031 -23.023
  185   2H2*    A  17          2H2*        A  17   3.678   6.000 -22.232
  186    H1*    A  17           H1*        A  17   2.163   5.849 -24.046
  187    H8     A  17           H8         A  17   4.729   2.798 -24.385
  188   1H6     A  17          1H6         A  17   1.386  -0.703 -23.877
  189   2H6     A  17          2H6         A  17  -0.319  -0.684 -23.634
  190    H2     A  17           H2         A  17  -1.546   3.625 -23.591
  191   1H5*    A  18          1H5*        A  18   1.796   8.613 -23.506
  192   2H5*    A  18          2H5*        A  18   1.531  10.068 -22.522
  193    H4*    A  18           H4*        A  18  -0.633   8.920 -22.931
  194    H3*    A  18           H3*        A  18   0.408   9.618 -20.421
  195   1H2*    A  18          1H2*        A  18   0.543   7.453 -19.448
  196   2H2*    A  18          2H2*        A  18  -1.217   7.690 -19.254
  197    H1*    A  18           H1*        A  18  -1.718   6.488 -21.274
  198    H8     A  18           H8         A  18   1.974   5.782 -20.243
  199   1H6     A  18          1H6         A  18   1.535   0.947 -19.709
  200   2H6     A  18          2H6         A  18   0.199  -0.135 -19.859
  201    H2     A  18           H2         A  18  -3.347   2.357 -20.995
  202   1H5*    T  19          1H5*        T  19  -3.464   7.978 -20.842
  203   2H5*    T  19          2H5*        T  19  -4.711   9.161 -20.469
  204    H4*    T  19           H4*        T  19  -5.845   7.197 -19.967
  205    H3*    T  19           H3*        T  19  -4.919   8.650 -17.731
  206   1H2*    T  19          1H2*        T  19  -4.935   6.370 -16.206
  207   2H2*    T  19          2H2*        T  19  -3.430   7.051 -16.865
  208    H1*    T  19           H1*        T  19  -5.223   4.906 -18.054
  209    H3     T  19           H3         T  19  -2.448   1.455 -17.476
  210    H6     T  19           H6         T  19  -1.700   6.143 -17.839
  211   1H5A    T  19          1H5A        T  19   0.791   5.080 -16.413
  212   2H5A    T  19          2H5A        T  19   0.676   5.721 -18.067
  213   3H5A    T  19          3H5A        T  19   1.314   4.084 -17.793
  214   1H5*    T  20          1H5*        T  20  -8.335   5.230 -17.120
  215   2H5*    T  20          2H5*        T  20  -9.342   5.953 -15.860
  216    H4*    T  20           H4*        T  20  -9.167   3.447 -15.603
  217    H3*    T  20           H3*        T  20  -8.705   5.421 -13.580
  218   1H2*    T  20          1H2*        T  20  -7.371   3.442 -12.163
  219   2H2*    T  20          2H2*        T  20  -6.516   4.765 -12.981
  220    H1*    T  20           H1*        T  20  -7.167   1.978 -14.034
  221    H3     T  20           H3         T  20  -2.952   0.444 -13.958
  222    H6     T  20           H6         T  20  -4.772   4.850 -14.325
  223   1H5A    T  20          1H5A        T  20  -1.824   5.097 -15.303
  224   2H5A    T  20          2H5A        T  20  -1.173   4.676 -13.707
  225   3H5A    T  20          3H5A        T  20  -2.576   5.761 -13.833
  226   1H5*  CAR  21           H5*      ARA  21  -9.775   0.556 -12.709
  227   2H5*  CAR  21          H5**      ARA  21 -10.455   0.679 -11.080
  228    H4*  CAR  21           H4*      ARA  21  -9.012  -1.403 -11.396
  229    H3*  CAR  21           H3*      ARA  21  -8.309   0.745  -9.378
  230   1H2*  CAR  21          H2**      ARA  21  -7.078  -1.987  -9.190
  231   2H2*  CAR  21           H2*      ARA  21  -6.614  -0.334  -7.746
  232    H1*  CAR  21           H1*      ARA  21  -6.169  -1.924 -11.270
  233   1H4   CAR  21           H41      ARA  21  -1.401   2.698 -11.309
  234   2H4   CAR  21           H42      ARA  21  -0.615   1.191 -11.023
  235    H5   CAR  21           H5       ARA  21  -3.821   2.940 -11.405
  236    H6   CAR  21           H6       ARA  21  -5.948   1.726 -11.302
  237   1H5*    G  22          1H5*        G  22  -8.731  -3.676  -8.279
  238   2H5*    G  22          2H5*        G  22  -9.271  -3.736  -6.594
  239    H4*    G  22           H4*        G  22  -7.319  -5.355  -7.339
  240    H3*    G  22           H3*        G  22  -8.031  -4.216  -4.901
  241   1H2*    G  22          1H2*        G  22  -6.351  -2.542  -4.754
  242   2H2*    G  22          2H2*        G  22  -5.441  -3.921  -4.102
  243    H1*    G  22           H1*        G  22  -4.470  -4.453  -6.189
  244    H8     G  22           H8         G  22  -5.746  -0.764  -6.602
  245    H1     G  22           H1         G  22   0.584  -1.567  -6.726
  246   1H2     G  22          1H2         G  22  -0.134  -4.903  -6.285
  247   2H2     G  22          2H2         G  22   1.082  -3.706  -6.491
  248   1H5*    C  23          1H5*        C  23  -3.964  -7.081  -4.807
  249   2H5*    C  23          2H5*        C  23  -4.309  -7.908  -3.281
  250    H4*    C  23           H4*        C  23  -1.876  -7.390  -3.447
  251    H3*    C  23           H3*        C  23  -3.625  -6.565  -1.323
  252   1H2*    C  23          1H2*        C  23  -1.540  -4.840  -0.590
  253   2H2*    C  23          2H2*        C  23  -3.077  -4.277  -1.295
  254    H1*    C  23           H1*        C  23  -0.456  -4.935  -2.692
  255   1H4     C  23          1H4         C  23  -2.225   1.308  -4.323
  256   2H4     C  23          2H4         C  23  -0.509   1.214  -4.407
  257    H5     C  23           H5         C  23  -3.635  -0.579  -3.638
  258    H6     C  23           H6         C  23  -3.623  -2.952  -3.005
  259   1H5*    G  24          1H5*        G  24   1.122  -7.079  -1.051
  260   2H5*    G  24          2H5*        G  24   1.188  -8.076   0.416
  261    H4*    G  24           H4*        G  24   3.274  -6.632   0.010
  262    H3*    G  24           H3*        G  24   1.586  -6.674   2.443
  263   1H2*    G  24          1H2*        G  24   2.039  -4.513   3.138
  264   2H2*    G  24          2H2*        G  24   3.778  -4.840   2.982
  265    H1*    G  24           H1*        G  24   3.879  -3.980   0.824
  266    H8     G  24           H8         G  24   0.191  -3.189   2.019
  267    H1     G  24           H1         G  24   3.673   1.786   0.058
  268   1H2     G  24          1H2         G  24   6.108  -0.557  -0.620
  269   2H2     G  24          2H2         G  24   5.663   1.105  -0.648
  270    H3T    G  24           H3T        G  24   3.545  -7.216   3.319
   


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

Contact the webmaster for help, if required. Monday, October 22, 2018 4:24:15 PM CDT (wattos1)