*HEADER   R1D19MR   01-AUG-90
*COMPND   /DNA$ (5'-$D(*GP*TP*AP*CP*GP*TP*AP*CP)-3')                    
*SOURCE   SYNTHETIC /DNA$                                               
*EXPDTA   NMR                                                           
*AUTHOR   J.D.BALEJA,B.D.SYKES                                          
*COORDS   1D19
*REMARK                                                                         
*REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
*REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
*REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
*REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
*REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
*REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
*REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
*REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
*REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
*REMARK    DENOTED AS 1HB).  
 
File 8.   Experimental restraints for GTACa
                      
A.  NOE intensities and distances

  Mixing time (sec.)     Distance estimate  Proton pair
                               (nm.)          
0.100  0.200  0.500  0.500  Lower  Upper
                      
1. Resolved cross-peaks
                      
0.408  0.830  0.939  0.911  0.270  0.310  1dG 1' - 1dG 2'
0.936  1.579  1.363  1.553  0.230         1dG 1' - 1dG 2"
0.081  0.299  0.403  0.464  0.350  0.420  1dG 1' - 2dT H6
       0.123  0.489  0.393  0.400  0.550  1dG 1' - 2dT HM
                     0.194                1dG 2" - 2dT 2'
0.469  0.767  0.690  0.619  0.260  0.290  1dG 2" - 2dT H6
       0.149  0.887  0.684  0.400  0.560  1dG 2" - 2dT HM
0.573  0.060a 1.200         0.230  0.260  1dG 2' - 1dG 3'
0.179  0.404  0.802  0.564  0.320  0.380  1dG 4' - 1dG 1' 
0.000  0.063  0.149                       1dG 4' - 1dG H8
       0.224  0.436  0.472  0.360  0.420  1dG H8 - 1dG 1'
0.093  0.260  0.540  0.501  0.350  0.430  1dG H8 - 1dG 2"
0.513  1.076  1.164  1.049  0.250  0.290  1dG H8 - 1dG 2'
0.309  0.576  0.876  0.836  0.330  0.410  1dG H8 - 2dT HM
1.612  2.160  2.375  2.249  0.230         2dT 1' - 2dT 2"
0.043  0.376  0.871  0.729  0.370  0.440  2dT 1' - 2dT H6
0.052  0.182  0.471  0.424  0.390  0.440  2dT 1' - 3dA H8
0.455  1.111  1.464  1.445  0.260  0.360  2dT 2" - 2dT H6
0.365  0.702  0.735  0.642  0.270  0.320  2dT 2" - 3dA H8
0.614  1.013  1.653  1.435  0.260  0.285  2dT 2' - 2dT 1'
1.489  1.844  1.752  1.747  0.220  0.240  2dT 2' - 2dT 3'
2.489  2.924  2.240  1.712  0.200  0.220  2dT 2' - 2dT H6
                     0.355                2dT 2' - 2dT HM
0.125  0.346  0.346  0.355  0.310  0.380  2dT 2' - 3dA H8
0.000  0.085  0.503  0.750                2dT 3' - 2dT 1'
0.057  0.525  1.146  0.839  0.350  0.500  2dT 3' - 2dT H6
0.076         0.238  0.248  0.340  0.440  2dT 3' - 3dA H8
0.211  0.671  1.038  1.050  0.290  0.360  2dT 4' - 2dT 1'
              0.569  0.360                2dT 4' - 2dT 2"
              0.475  0.270                2dT 4' - 2dT 2'
0.809  1.187  1.947  1.742  0.250  0.340  2dT 4' - 2dT 3'
0.000  0.065  0.382  0.331  0.400  0.560  2dT 4' - 2dT H6
0.318  0.570  0.577  0.439  0.280  0.360  2dT H6 - 1dG 2'
0.000         0.159  0.182                2dT H6 - 3dA H8
       0.326  1.064  0.857  0.370  0.500  2dT HM - 1dG 2'
       0.160  0.795  0.723  0.370  0.500  3dA 1' - 3dA H8
0.000         0.239  0.145                3dA 1' - 4dC 1'
       0.123  0.335  0.365  0.380  0.480  3dA 1' - 4dC H5
0.078  0.346  0.722  0.594  0.340  0.480  3dA 1' - 4dC H6
0.426  0.900  1.422  1.450  0.270  0.360  3dA 2" - 3dA H8
       0.354  0.690  0.590  0.280  0.400  3dA 2" - 4dC H5
0.690  1.020  0.801  0.860  0.240  0.270  3dA 2" - 4dC H6
1.715  2.000  2.199  1.798  0.210  0.240  3dA 2' - 3dA 3'
2.142  2.400  2.644  1.954  0.200  0.230  3dA 2' - 3dA H8
       0.203  0.574  0.414  0.330  0.450  3dA 2' - 4dC H5
1.650  1.400  1.680  1.448  0.210  0.270  3dA 3' - 3dA 2"
       0.365  0.865  0.909  0.310  0.420  3dA 3' - 3dA H8
0.000  0.029  0.276  0.361                3dA 3' - 4dC H6
0.170  0.360  0.900  0.765  0.330  0.380  3dA 4' - 3dA 2"
0.084  0.230  0.700  0.438  0.340  0.410  3dA 4' - 3dA 2'
0.980  1.700  2.300  1.569  0.230  0.270  3dA 4' - 3dA 3'
0.000         0.262  0.268                3dA 4' - 3dA H8
0.026         0.208         0.360  0.540  3dA H2 - 4dC 1'
0.057  0.270  0.500  0.429  0.350  0.500  3dA H8 - 4dC H5
0.000  0.075  0.316  0.363  0.420  0.570  3dA H8 - 4dC H6
1.534  2.060  1.996  2.189  0.230         4dC 1' - 4dC 2"
0.046  0.224  0.599  0.531  0.390  0.450  4dC 1' - 4dC H6
0.138  0.369  0.530  0.665  0.330  0.390  4dC 1' - 5dG H8
              0.295  0.247                4dC 2" - 4dC H5
0.319  0.799  0.808  0.977  0.280  0.380  4dC 2" - 4dC H6
0.372  0.635  0.538  0.577  0.270  0.300  4dC 2" - 5dG H8
0.461  0.740  1.235  1.290  0.270  0.300  4dC 2' - 4dC 1'
0.662  0.950a 0.553         0.210  0.250  4dC 2' - 4dC 3'
       0.227  0.588  0.458  0.330  0.460  4dC 2' - 4dC H5
0.167  0.295  0.317  0.305  0.320  0.370  4dC 2' - 5dG H8
0.043  0.440b 0.260         0.330  0.440  4dC 3' - 4dC H6
0.313  0.818  1.602  1.696  0.280  0.360  4dC 4' - 4dC 1'
1.410  2.141  2.074  2.024  0.230         5dG 1' - 5dG 2"
0.115  0.228  0.727  0.665  0.370  0.410  5dG 1' - 5dG H8
0.149  0.294  0.676  0.815  0.350  0.380  5dG 1' - 6dT H6
0.075  0.234  0.687  0.500  0.440  0.560  5dG 1' - 6dT HM
0.221  0.911  1.114  0.769  0.280  0.370  5dG 2" - 5dG H8
0.000                0.200                5dG 2" - 6dT 2'
       0.267  1.335  0.742  0.360  0.500  5dG 2" - 6dT HM
0.531  1.163  1.568  1.412  0.260  0.300  5dG 2' - 5dG 1'
0.199  0.506a 0.830         0.210  0.250  5dG 2' - 5dG 3'
1.524  2.030  1.618  1.422  0.215  0.235  5dG 2' - 5dG H8
0.247  0.521  0.864  0.567  0.300  0.370  5dG 2' - 6dT H6
       0.295  1.284  0.807  0.400  0.490  5dG 2' - 6dT HM
0.058  0.131  0.919  0.636  0.360  0.500  5dG 3' - 5dG 1'
0.801  1.360  1.692  1.765  0.250  0.270  5dG 3' - 5dG 2"
       0.317  0.671  0.596  0.320  0.400  5dG 3' - 5dG H8
       0.330  0.271                       5dG 3' - 6dT H6
0.055  0.095  0.330  0.271  0.380  0.470  5dG 3' - 6dT H6
0.212  0.689  0.752  0.935  0.290  0.360  5dG 4' - 5dG 1'
       0.092  0.424  0.308  0.380  0.500  5dG 4' - 5dG 2"
       0.145  0.278  0.336  0.360  0.450  5dG 4' - 5dG 2'
1.011  1.615  1.921  1.946  0.240  0.260  5dG 4' - 5dG 3'
0.000  0.058  0.226  0.200  0.400  0.550  5dG 4' - 5dG H8
0.615  0.890  1.308  1.328  0.310  0.350  5dG H8 - 6dT HM
1.704  2.568  2.184  2.781  0.230         6dT 1' - 6dT 2"
0.143  0.312  0.759  0.793  0.350  0.380  6dT 1' - 6dT H6
0.041  0.259  0.419  0.489  0.380  0.470  6dT 1' - 7dA H8
0.422  1.043  1.500  1.389  0.270  0.360  6dT 2" - 6dT H6
0.355  0.750  0.640  0.507  0.260  0.300  6dT 2" - 7dA H8
0.469  0.942  1.399  1.502  0.270  0.320  6dT 2' - 6dT 1'
1.180  1.127a 2.039  1.845  0.210  0.260  6dT 2' - 6dT 3'
0.000         0.089  0.202                6dT 2' - 6dT HM
0.262  0.483  0.696  0.499  0.290  0.360  6dT 2' - 7dA H8
              0.590  0.748                6dT 3' - 6dT 1'
0.745  1.016  1.617  1.394  0.250  0.280  6dT 3' - 6dT 2"
       0.440  0.848  1.066  0.290  0.370  6dT 3' - 6dT H6
              0.239  0.171                6dT 3' - 7dA H8
0.000         0.261  0.197                6dT H6 - 7dA H8
0.032  0.377  0.795  0.707  0.330  0.460  7dA 1' - 7dA H8
              0.397  0.155                7dA 1' - 8dC H5
0.108  0.293  0.798  0.758  0.360  0.410  7dA 1' - 8dC H6
0.399  1.100  1.424  1.417  0.280  0.380  7dA 2" - 7dA H8
       0.249  0.690  0.448  0.320  0.400  7dA 2" - 8dC H5
1.002  1.309  0.977  1.006  0.230  0.250  7dA 2" - 8dC H6
1.715  2.500  2.121  1.621  0.210  0.240  7dA 2' - 7dA 3'
1.970  2.600  2.044  1.942  0.200  0.220e 7dA 2' - 7dA H8
       0.168  0.410  0.303  0.320  0.430e 7dA 2' - 8dC H5
0.323  0.555  0.782  0.727  0.290  0.350e 7dA 2' - 8dC H6
1.650  1.400  1.680  1.742  0.220  0.260  7dA 3' - 7dA 2"
0.083  0.425  0.907  0.995  0.350  0.500  7dA 3' - 7dA H8
0.152  0.103  0.275  0.412  0.320  0.440  7dA 3' - 8dC H6
0.170  0.250  0.529  0.423  0.320  0.380  7dA 4' - 7dA 2"
0.160  0.230  0.400  0.363  0.310  0.380  7dA 4' - 7dA 2'
0.645  1.600  2.300  2.158  0.250  0.290  7dA 4' - 7dA 3'
       0.056  0.265  0.221  0.410  0.560  7dA 4' - 7dA H8
0.000  0.044  0.081  0.156  0.410  0.560  7dA H2 - 8dC 1'
0.114  0.270  0.500  0.493  0.360  0.420  7dA H8 - 8dC H5
0.000  0.064  0.365  0.239  0.450  0.580  7dA H8 - 8dC H6
0.081  0.395  0.805  0.687  0.370  0.450  8dC 1' - 8dC H6
       0.216  0.757  0.727  0.340  0.440  8dC 3' - 8dC 1'
0.274  0.535  0.983  1.068  0.300  0.340  8dC 3' - 8dC H6
0.515  1.294  1.711  1.729  0.260  0.310  8dC 4' - 8dC 1'
       0.950  2.128  2.179  0.260  0.310  8dC 4' - 8dC 3'
0.000  0.142  0.604  0.561  0.340  0.470  8dC 4' - 8dC H6

2. Overlapping cross-peaks
                      
0.054  0.284b 0.636  0.548b 0.410  0.500  1dG H8 - 1dG 5's
0.101  0.490b 1.063  0.740b 0.250  0.450  1dG 1' - 2dT 5's
1.848  2.850b 3.760  2.848b 0.230  0.270  1dG 4' - 1dG 5's
1.579  2.452  2.400  2.590  0.230         3dA 1' - 3dA 2"
                                          7dA 1' - 7dA 2"c
0.624  1.306  1.640  1.737  0.240  0.300  3dA 2' - 3dA 1'
                                          7dA 2' - 7dA 1'c
0.700  0.800                0.210  0.340e 3dA 2' - 4dC H6
0.332  0.784  1.400         0.290  0.340e 5dG 2" - 6dT H6
0.079  0.300  1.019  0.940  0.330  0.460  3dA 3' - 3dA 1'
0.079  0.383  1.019  0.806  0.330  0.460  7dA 3' - 7dA 1'
0.471  0.727  1.186  1.172  0.260  0.320  3dA 4' - 3dA 1'
0.471  0.727  1.186  1.045  0.260  0.320  7dA 4' - 7dA 1'
1.970  2.316                0.200  0.230e 6dT 2' - 6dT H6
                                          4dC 2' - 4dC H6d
0.753  1.305  1.645         0.240  0.290  8dC 3' - 8dC 2's 
0.672         1.298                       8dC H6 - 8dC 2's
1.441  2.028  2.693         0.230  0.260  8dC 1' - 8dC 2's 

3. Covalently bound proton pairs
                      
4.053  4.840  2.615  2.221  0.176    2dT 2' - 2dT 2"
1.086  1.755  2.286  1.967  0.300    2dT H6 - 2dT HM
2.056  3.500  2.007  2.141  0.176    3dA 2' - 3dA 2"
3.500  4.380  2.186  2.491  0.176    4dC 2' - 4dC 2"
1.305  2.155  2.615  2.692  0.246    4dC H5 - 4dC H6
       2.057a                        5dG 2' - 5dG 2"
3.144  4.380  2.187  2.271  0.176    6dT 2' - 6dT 2"
1.173  1.951  2.433  2.168  0.300    6dT H6 - 6dT HM
2.338  3.500  2.007  2.175  0.176    7dA 2' - 7dA 2"
1.385  2.342  3.110  3.920  0.246    8dC H5 - 8dC H6
                      
aThe absence of an entry indicates that no distance estimate
 was made, or that the NOE intensity was not tabulated. 5'
 and 5" NOE intensities and distances were not used stereo-
 specifically because the ratio of J5'5" to the difference in
 chemical shifts is often not small, leading to second order
 effects. 5's and 2's refer to non-stereospecifc NOEs to the
 protons on the 2' and 5' methylene carbons, respectively.
 NOE intensities are given for one of the two symmetry
 related strands.
bNOE noted in subsequent analysis of the data, but not used
 in structure refinement.
cNOE and distances are included with the previous entry.
dNOE and distances are approximately equal to the previous
 entry.
eDistance noted in subsequent analysis and was only used
 during energy minimization of structures produced from
 molecular dynamics calculations.




B.  Glycosidic dihedral angle restraints
                      
  Allowed ranges of dihedral angles
         v0        v1        v2        v3        v4
Residue
  1  -37  -27   04   39  -30   20  -36   05   20   40
  2  -32  -19   33   40  -39  -14  -11   28  -06   32
  3  -38  -19   23   40  -39   00  -23   28  -06   38
  4  -35  -19   29   40  -39  -07  -18   28  -06   35
  5  -38  -19   23   40  -39   00  -23   28  -06   38
  6  -32  -19   33   40  -39  -14  -11   28  -06   32
  7  -38  -19   23   40  -39   00  -23   28  -06   38
  8  -27  -19   04   40  -39   20  -36   28  -06   40

*REMARK
*REMARK    THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR 
*REMARK    NAMES IN THE ENTRY AND THE ORIGINAL DATA:
  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