NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
3005 1d19 cing 1-original 10 MR format nomenclature mapping


  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1    H5*    G   1            HO      G     1   4.770   7.840  13.220
    2   1H5*    G   1          H51*      G     1   6.660   6.690  13.870
    3   2H5*    G   1          H52*      G     1   7.070   8.120  12.950
    4    H4*    G   1           H4*      G     1   8.370   6.210  12.170
    5    H3*    G   1           H3*      G     1   6.730   7.790  10.460
    6   1H2*    G   1          H21*      G     1   5.310   6.080   9.750
    7   2H2*    G   1          H22*      G     1   6.660   5.670   8.720
    8    H1*    G   1           H1*      G     1   7.480   4.020  10.230
    9    H8     G   1            H8      G     1   3.800   4.740  11.310
   10    H1     G   1            H1      G     1   5.290  -1.350   9.880
   11   1H2     G   1           H21      G     1   7.540  -1.360   9.140
   12   2H2     G   1           H22      G     1   8.410   0.060   9.060
   13   1H5*    T   2          H51*      T     2   9.740   4.870   8.790
   14   2H5*    T   2          H52*      T     2  10.660   5.540   7.450
   15    H4*    T   2           H4*      T     2  10.180   3.250   6.970
   16    H3*    T   2           H3*      T     2   9.160   5.420   5.340
   17   1H2*    T   2          H21*      T     2   7.030   4.520   5.120
   18   2H2*    T   2          H22*      T     2   7.820   3.310   4.110
   19    H1*    T   2           H1*      T     2   8.040   1.800   5.890
   20    H3     T   2            H3      T     2   4.100  -0.060   6.930
   21   1H5M    T   2           H71      T     2   2.150   4.280   6.890
   22   2H5M    T   2           H72      T     2   2.750   4.270   8.570
   23   3H5M    T   2           H73      T     2   3.570   5.270   7.340
   24    H6     T   2            H6      T     2   5.540   4.510   6.640
   25   1H5*    A   3          H51*      A     3  11.030   1.580   3.470
   26   2H5*    A   3          H52*      A     3  11.850   1.920   1.950
   27    H4*    A   3           H4*      A     3  10.640  -0.210   1.830
   28    H3*    A   3           H3*      A     3  10.300   1.960   0.000
   29   1H2*    A   3          H21*      A     3   8.040   2.240   0.290
   30   2H2*    A   3          H22*      A     3   7.920   0.770  -0.680
   31    H1*    A   3           H1*      A     3   7.720  -0.620   1.140
   32    H8     A   3            H8      A     3   6.760   3.070   1.810
   33   1H6     A   3           H61      A     3   2.760   2.230   4.220
   34   2H6     A   3           H62      A     3   1.840   0.890   4.600
   35    H2     A   3            H2      A     3   4.100  -2.670   2.990
   36   1H5*    C   4          H51*      C     4   9.560  -2.410  -0.610
   37   2H5*    C   4          H52*      C     4   9.830  -3.080  -2.210
   38    H4*    C   4           H4*      C     4   7.960  -4.200  -0.990
   39    H3*    C   4           H3*      C     4   7.950  -3.320  -3.690
   40   1H2*    C   4          H21*      C     4   6.320  -1.640  -3.370
   41   2H2*    C   4          H22*      C     4   5.250  -3.040  -3.580
   42    H1*    C   4           H1*      C     4   5.100  -3.420  -1.250
   43   1H4     C   4           H41      C     4   1.990   1.690   0.820
   44   2H4     C   4           H42      C     4   3.010   2.750   0.060
   45    H5     C   4            H5      C     4   4.860   2.050  -1.260
   46    H6     C   4            H6      C     4   6.160   0.100  -2.080
   47   1H5*    G   5          H51*      G     5   4.640  -6.020  -1.730
   48   2H5*    G   5          H52*      G     5   4.530  -7.420  -2.790
   49    H4*    G   5           H4*      G     5   2.390  -7.090  -1.730
   50    H3*    G   5           H3*      G     5   2.710  -7.120  -4.530
   51   1H2*    G   5          H21*      G     5   2.040  -4.900  -4.910
   52   2H2*    G   5          H22*      G     5   0.440  -5.620  -4.790
   53    H1*    G   5           H1*      G     5   0.200  -5.060  -2.530
   54    H8     G   5            H8      G     5   2.830  -2.830  -4.320
   55    H1     G   5            H1      G     5  -1.760   0.290  -1.140
   56   1H2     G   5           H21      G     5  -3.470  -1.280  -0.680
   57   2H2     G   5           H22      G     5  -3.270  -2.880  -1.070
   58   1H5*    T   6          H51*      T     6  -1.460  -7.210  -2.740
   59   2H5*    T   6          H52*      T     6  -2.550  -8.310  -3.570
   60    H4*    T   6           H4*      T     6  -3.750  -6.280  -3.140
   61    H3*    T   6           H3*      T     6  -3.060  -7.010  -5.910
   62   1H2*    T   6          H21*      T     6  -2.970  -4.780  -6.600
   63   2H2*    T   6          H22*      T     6  -4.660  -4.640  -6.070
   64    H1*    T   6           H1*      T     6  -4.100  -3.830  -4.020
   65    H3     T   6            H3      T     6  -2.490   0.350  -4.430
   66   1H5M    T   6           H71      T     6   0.560  -1.220  -7.680
   67   2H5M    T   6           H72      T     6   1.530  -1.720  -6.270
   68   3H5M    T   6           H73      T     6   0.680  -2.950  -7.240
   69    H6     T   6            H6      T     6  -1.020  -3.870  -6.180
   70   1H5*    A   7          H51*      A     7  -7.110  -5.830  -4.410
   71   2H5*    A   7          H52*      A     7  -8.520  -6.310  -5.350
   72    H4*    A   7           H4*      A     7  -8.650  -3.960  -4.520
   73    H3*    A   7           H3*      A     7  -9.150  -4.920  -7.180
   74   1H2*    A   7          H21*      A     7  -7.670  -3.550  -8.250
   75   2H2*    A   7          H22*      A     7  -8.890  -2.290  -7.920
   76    H1*    A   7           H1*      A     7  -7.800  -1.530  -6.050
   77    H8     A   7            H8      A     7  -5.480  -3.560  -8.370
   78   1H6     A   7           H61      A     7  -1.980  -0.300  -8.600
   79   2H6     A   7           H62      A     7  -1.790   1.280  -8.120
   80    H2     A   7            H2      A     7  -5.520   2.360  -5.830
   81   1H5*    C   8          H51*      C     8 -11.240  -0.910  -5.820
   82   2H5*    C   8          H52*      C     8 -12.740  -0.620  -6.690
   83    H4*    C   8           H4*      C     8 -11.310   1.370  -6.740
   84    H3*    C   8           H3*      C     8 -11.770  -0.050  -9.350
   85   1H2*    C   8          H21*      C     8 -10.250   1.390 -10.370
   86   2H2*    C   8          H22*      C     8 -10.760   2.740  -9.360
   87    H1*    C   8           H1*      C     8  -9.080   2.360  -7.890
   88   1H4     C   8           H41      C     8  -3.920   0.680 -11.160
   89   2H4     C   8           H42      C     8  -4.560  -0.790 -11.610
   90    H5     C   8            H5      C     8  -6.770  -1.480 -11.020
   91    H6     C   8            H6      C     8  -8.840  -0.860  -9.860
   92    H3*    C   8            HO      C     8 -13.280   1.460  -7.930
   93    H5*    G   9            HO      G     9   1.870   7.780 -11.970
   94   1H5*    G   9          H51*      G     9   0.840   9.180 -13.780
   95   2H5*    G   9          H52*      G     9   1.650  10.450 -12.870
   96    H4*    G   9           H4*      G     9  -0.630  10.200 -12.080
   97    H3*    G   9           H3*      G     9   1.630   9.920 -10.350
   98   1H2*    G   9          H21*      G     9   1.170   7.750  -9.630
   99   2H2*    G   9          H22*      G     9   0.000   8.570  -8.620
  100    H1*    G   9           H1*      G     9  -1.790   8.200 -10.170
  101    H8     G   9            H8      G     9   1.000   5.700 -11.200
  102    H1     G   9            H1      G     9  -4.710   3.180  -9.670
  103   1H2     G   9           H21      G     9  -6.050   4.930  -8.820
  104   2H2     G   9           H22      G     9  -5.450   6.480  -8.700
  105   1H5*    T  10          H51*      T    10  -2.590  10.540  -8.680
  106   2H5*    T  10          H52*      T    10  -2.580  11.680  -7.340
  107    H4*    T  10           H4*      T    10  -4.120   9.920  -6.860
  108    H3*    T  10           H3*      T    10  -1.780  10.450  -5.220
  109   1H2*    T  10          H21*      T    10  -1.180   8.220  -4.950
  110   2H2*    T  10          H22*      T    10  -2.650   8.100  -3.980
  111    H1*    T  10           H1*      T    10  -3.920   7.280  -5.760
  112    H3     T  10            H3      T    10  -2.840   3.080  -6.850
  113   1H5M    T  10           H71      T    10   1.720   4.270  -6.680
  114   2H5M    T  10           H72      T    10   1.460   4.860  -8.340
  115   3H5M    T  10           H73      T    10   1.650   6.020  -6.990
  116    H6     T  10            H6      T    10  -0.220   7.090  -6.460
  117   1H5*    A  11          H51*      A    11  -5.950   9.500  -3.320
  118   2H5*    A  11          H52*      A    11  -6.140  10.310  -1.780
  119    H4*    A  11           H4*      A    11  -7.130   8.040  -1.750
  120    H3*    A  11           H3*      A    11  -5.320   9.080   0.190
  121   1H2*    A  11          H21*      A    11  -3.610   7.580  -0.140
  122   2H2*    A  11          H22*      A    11  -4.660   6.490   0.790
  123    H1*    A  11           H1*      A    11  -5.530   5.470  -1.060
  124    H8     A  11            H8      A    11  -2.130   7.210  -1.640
  125   1H6     A  11           H61      A    11  -0.070   3.710  -4.090
  126   2H6     A  11           H62      A    11  -0.470   2.160  -4.560
  127    H2     A  11            H2      A    11  -4.690   1.480  -3.100
  128   1H5*    C  12          H51*      C    12  -8.030   5.530   0.450
  129   2H5*    C  12          H52*      C    12  -8.800   5.210   2.000
  130    H4*    C  12           H4*      C    12  -8.300   3.130   0.710
  131    H3*    C  12           H3*      C    12  -7.760   3.580   3.460
  132   1H2*    C  12          H21*      C    12  -5.410   3.530   3.220
  133   2H2*    C  12          H22*      C    12  -5.730   1.790   3.360
  134    H1*    C  12           H1*      C    12  -5.840   1.520   1.000
  135   1H4     C  12           H41      C    12   0.100   2.640  -0.830
  136   2H4     C  12           H42      C    12   0.200   4.080  -0.010
  137    H5     C  12            H5      C    12  -1.590   4.960   1.280
  138    H6     C  12            H6      C    12  -3.940   4.610   2.010
  139   1H5*    G  13          H51*      G    13  -7.460  -0.640   1.270
  140   2H5*    G  13          H52*      G    13  -8.500  -1.650   2.260
  141    H4*    G  13           H4*      G    13  -6.830  -3.040   1.230
  142    H3*    G  13           H3*      G    13  -7.180  -2.930   4.010
  143   1H2*    G  13          H21*      G    13  -5.100  -1.960   4.530
  144   2H2*    G  13          H22*      G    13  -4.580  -3.640   4.400
  145    H1*    G  13           H1*      G    13  -3.870  -3.400   2.180
  146    H8     G  13            H8      G    13  -4.050   0.010   4.040
  147    H1     G  13            H1      G    13   1.480  -1.250   1.050
  148   1H2     G  13           H21      G    13   1.450  -3.540   0.490
  149   2H2     G  13           H22      G    13   0.100  -4.470   0.780
  150   1H5*    T  14          H51*      T    14  -4.350  -6.050   2.300
  151   2H5*    T  14          H52*      T    14  -4.510  -7.610   3.090
  152    H4*    T  14           H4*      T    14  -2.180  -7.160   2.840
  153    H3*    T  14           H3*      T    14  -3.370  -7.160   5.530
  154   1H2*    T  14          H21*      T    14  -1.830  -5.610   6.350
  155   2H2*    T  14          H22*      T    14  -0.570  -6.770   5.920
  156    H1*    T  14           H1*      T    14  -0.180  -5.820   3.890
  157    H3     T  14            H3      T    14   1.820  -1.810   4.390
  158   1H5M    T  14           H71      T    14  -1.530  -0.640   7.520
  159   2H5M    T  14           H72      T    14  -2.480  -0.220   6.070
  160   3H5M    T  14           H73      T    14  -2.870  -1.700   7.000
  161    H6     T  14            H6      T    14  -2.390  -3.550   5.920
  162   1H5*    A  15          H51*      A    15   0.370  -9.280   4.360
  163   2H5*    A  15          H52*      A    15   0.920 -10.630   5.340
  164    H4*    A  15           H4*      A    15   2.750  -9.070   4.760
  165    H3*    A  15           H3*      A    15   2.050 -10.010   7.400
  166   1H2*    A  15          H21*      A    15   2.080  -7.960   8.410
  167   2H2*    A  15          H22*      A    15   3.840  -8.040   8.170
  168    H1*    A  15           H1*      A    15   3.790  -6.820   6.230
  169    H8     A  15            H8      A    15   0.600  -6.300   8.350
  170   1H6     A  15           H61      A    15   0.940  -1.530   8.630
  171   2H6     A  15           H62      A    15   2.050  -0.390   8.140
  172    H2     A  15            H2      A    15   5.310  -2.600   5.960
  173   1H5*    C  16          H51*      C    16   6.580  -9.160   6.330
  174   2H5*    C  16          H52*      C    16   7.680 -10.120   7.320
  175    H4*    C  16           H4*      C    16   8.380  -7.770   7.310
  176    H3*    C  16           H3*      C    16   7.280  -8.840   9.910
  177   1H2*    C  16          H21*      C    16   7.470  -6.720  10.830
  178   2H2*    C  16          H22*      C    16   8.910  -6.360   9.890
  179    H1*    C  16           H1*      C    16   7.660  -5.330   8.300
  180   1H4     C  16           H41      C    16   2.920  -2.260  11.170
  181   2H4     C  16           H42      C    16   2.130  -3.660  11.600
  182    H5     C  16            H5      C    16   3.020  -5.830  11.140
  183    H6     C  16            H6      C    16   4.860  -7.100  10.130
  184    H3*    C  16            HO      C    16   9.900  -8.120   9.030
   
  No H/Q in entry =         184


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 2:08:25 PM GMT (wattos1)