*HEADER   R1D18MR   01-AUG-90
*COMPND   /DNA$ (5'-$D(*CP*AP*TP*GP*CP*AP*TP*GP)-3')                    
*SOURCE   SYNTHETIC /DNA$                                               
*EXPDTA   NMR                                                           
*AUTHOR   J.D.BALEJA,B.D.SYKES                                          
*COORDS   1D18
*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 7.  Experimental restraints for CATGa
                      
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
  
0.130  0.267  0.600  0.294  0.300  0.330  1dC 1' - 1dC 2'
0.800  1.000  1.500  1.002  0.220  0.250  1dC 1' - 1dC 2"
0.000  0.190  0.450  0.989                1dC 1' - 1dC 4'
0.000  0.054  0.145  0.258                1dC 1' - 1dC 3'
0.056  0.176  0.478  0.588  0.390  0.440  1dC 1' - 1dC H6
0.000  0.064  0.077  0.111  0.400  0.430  1dC 1' - 2dA H8
0.000  0.247  0.295  0.298  0.290  0.380  1dC 2" - 1dC H6
0.282  0.327  0.363  0.446  0.260  0.300  1dC 2" - 2dA H8
0.735  1.038  1.334  1.283  0.220  0.260  1dC 2' - 1dC H6
0.000  0.000  0.053  0.161                1dC 2' - 1dC H5
0.309  0.905  1.273  0.772  0.250  0.300  1dC 2' - 1dC 3'
0.084  0.302  0.323  0.363  0.320  0.390  1dC 2' - 2dA H8
0.129  0.224  0.471  0.565  0.290  0.340  1dC 3' - 1dC 2"
              0.271  0.620                1dC 3' - 1dC 4'
0.122  0.188  0.390  0.349  0.300  0.360  1dC 3' - 1dC H6
0.000                0.225b               1dC 4' - 1dC H6
0.000  0.000  0.014  0.225                1dC 3' - 2dA H8
0.000  0.000  0.005  0.105                1dC H6 - 2dA H8
0.041  0.085  0.424  0.529  0.360  0.430  2dA 1' - 2dA 3'
0.309  0.891  1.101  1.016  0.270  0.300  2dA 1' - 2dA 2'
0.000  0.178  0.501  0.368  0.340  0.400  2dA 1' - 2dA H8
1.086  1.763  1.765  1.439  0.210  0.230  2dA 1' - 2dA 2"
0.000  0.067  0.260  0.579  0.430  0.530  2dA 1' - 3dT H6
0.000  0.083  0.183  0.326  0.490  0.590  2dA 1' - 3dT HM
       0.212b        0.428b               2dA 2' - 3dT HM
0.000  0.000  0.000  0.428b               2dA 3' - 3dT HM
0.279  0.905  1.076  0.790  0.260  0.310  2dA 2" - 2dA 3'
0.000  0.140  0.229  0.174  0.320  0.400  2dA 2" - 2dA 4'
0.288  0.423  0.968  0.989  0.270  0.360  2dA 2" - 2dA H8
0.606  0.750  0.683  0.772  0.230  0.250  2dA 2" - 3dT H6
0.000  0.158b 0.346  0.542  0.350  0.450  2dA 2" - 3dT HM
0.000  0.082  0.397  0.193  0.340  0.500  2dA 2' - 2dA 4'
1.315  1.872  1.857  1.407  0.200  0.220  2dA 2' - 2dA H8
0.672  1.727  1.570  1.369  0.225  0.260  2dA 2' - 2dA 3'
       0.343  0.342  0.492  0.280  0.360  2dA 2' - 3dT H6
0.043  0.074  0.424  0.469  0.360  0.410  2dA 3' - 2dA H8
0.000         0.085  0.239                2dA 4' - 2dA H8
0.000  0.129  0.115  0.354  0.330  0.450  2dA 3' - 3dT H6
0.672  1.040  1.500  0.310  0.230  0.260  2dA 4' - 2dA 3'
0.191  0.411  0.647  0.819  0.300  0.330  2dA 4' - 2dA 1'
0.598  1.747  2.241  1.947  0.230  0.270  2dA H8 - 3dT HM
0.000         0.132  0.212                2dA H8 - 3dT H6
0.000         0.183  0.082                2dA H2 -16dG 1'
0.800  1.430  1.700  1.466  0.215  0.250  3dT 1' - 3dT 2"
0.000  0.129  0.323  0.487  0.370  0.430  3dT 1' - 4dG H8
0.140  0.627  0.838  1.012  0.260  0.380  3dT 2" - 3dT H6
0.296  0.466  0.436  0.625  0.260  0.290  3dT 2" - 4dG H8
0.130  0.483  0.714  0.676  0.290  0.340  3dT 2' - 3dT 1'
1.313  1.712  1.885  1.411  0.200  0.220  3dT 2' - 3dT H6
0.292  1.095         0.593                3dT 4' - 3dT 3'
0.617  0.970  1.059  0.869  0.230  0.260  3dT 2' - 3dT 3'
0.083  0.179  0.187  0.473  0.330  0.380  3dT 2' - 4dG H8
0.000         0.045  0.092                3dT 3' - 4dG H8
0.000         0.075  0.189                3dT H6 - 4dG H8
0.146  0.376  0.513  0.997  0.300  0.340  4dG 1' - 4dG 4'
0.000  0.130  0.285  0.672  0.390  0.450  4dG 1' - 4dG 3'
0.361  0.631  1.108  0.607  0.250  0.300  4dG 1' - 4dG 2'
0.035  0.101  0.321  0.405  0.400  0.450  4dG 1' - 4dG H8
0.881  1.467  1.770  1.361  0.215  0.260  4dG 1' - 4dG 2"
0.123  0.239  0.400  0.556  0.340  0.360  4dG 1' - 5dC H6
0.000         0.163  0.294                4dG 1' - 5dC H5
0.422  0.748  0.773  0.887  0.250  0.270  4dG 2" - 5dC H6
0.111  0.312  0.485  0.409  0.300  0.360  4dG 2" - 5dC H5
0.000                0.336b               4dG 2" - 4dG 4'
0.000                0.271b               4dG 2' - 4dG 4'
0.145  0.221  0.511  0.542  0.300  0.370  4dG 2' - 5dC H6
0.000  0.174  0.268  0.313  0.330  0.400  4dG 2' - 5dC H5
0.000  0.079  0.365  0.464  0.430  0.500  4dG 3' - 4dG H8
0.000                0.244                4dG 4' - 4dG H8
0.000         0.120  0.281                4dG 3' - 5dC H6
0.000  0.000  0.038  0.198                4dG H8 - 5dC H6
0.779  0.900  2.006  1.273  0.190  0.210  4dG H8 - 4dG 2'
0.199  0.583  0.916  0.979  0.280  0.350  4dG H8 - 4dG 2"
0.000  0.090  0.170  0.258  0.370  0.450  4dG H8 - 5dC H5
0.196  0.517  0.769  0.469  0.280  0.320  5dC 1' - 5dC 2'
0.000  0.064  0.381  0.515  0.360  0.450  5dC 1' - 5dC H6
0.154  0.629b 1.136  2.251b 0.290  0.360  5dC 1' - 5dC 4'
0.000         0.319  0.151                5dC 1' - 5dC 3'
0.292  1.095         1.838                5dC 4' - 5dC 3'
0.905  1.392  1.521  1.144  0.215  0.240  5dC 1' - 5dC 2"
0.073  0.173  0.278  0.340  0.360  0.390  5dC 1' - 6dA H8
0.169  0.526  0.906  1.034  0.290  0.350  5dC 2" - 5dC H6
0.236  0.464  0.554  0.473  0.270  0.310  5dC 2" - 6dA H8
0.000  0.000  0.231  0.248  0.390  0.450  5dC 2' - 5dC H5
       0.067  0.121  0.166                5dC 2" - 5dC H5
0.617  0.970  1.059  0.699  0.230  0.260  5dC 2' - 5dC 3'
0.177  0.173  0.344  0.345  0.290  0.360  5dC 2' - 6dA H8
0.000  0.000  0.000  0.088b               5dC 3' - 6dA H8
0.217  0.268  0.289  0.625  0.270  0.360  5dC 3' - 5dC H6
1.490  1.920  1.582  1.617  0.190  0.210  5dC H6 - 5dC 2'
0.000         0.097  0.189                5dC H6 - 6dA H8
0.935  1.683  1.862  1.540  0.215  0.240  6dA 1' - 6dA 2"
0.275  0.752  1.092  1.168  0.280  0.310  6dA 1' - 6dA 2'
0.000  0.058         0.676                6dA 1' - 6dA 3'
0.045  0.252         0.616  0.340  0.400  6dA 1' - 6dA 4'
0.000  0.000         0.111                6dA 1' - 6dA H2
0.000  0.139  0.333  0.450  0.350  0.420  6dA 1' - 6dA H8
0.000  0.000         0.202                6dA 1' - 7dT 1'
0.000  0.117  0.222  0.473  0.380  0.430  6dA 1' - 7dT H6
0.000         0.199  0.349                6dA 1' - 7dT HM
0.203  0.428  0.998  1.034  0.300  0.400  6dA 2" - 6dA H8
0.504  0.750  0.610  0.666  0.240  0.260  6dA 2" - 7dT H6
0.955  1.712  1.678  1.287  0.210  0.230  6dA 2' - 6dA H8
0.199  0.270  0.492  0.515  0.280  0.330  6dA 2' - 7dT H6
0.000  0.121  0.262  0.662                6dA 2' - 7dT HM
              0.309  0.547                6dA 2" - 7dT HM
0.350  0.876  1.102  0.997  0.250  0.290  6dA 3' - 6dA 2"
0.048  0.061  0.364  0.542  0.360  0.460  6dA 3' - 6dA H8
0.000                0.460                6dA 3' - 7dT H6
0.000                0.428b               6dA 3' - 7dT HM
0.000  0.000  0.249  0.143                6dA 4' - 6dA 2"
0.000                0.239b               6dA 4' - 6dA 2'
0.000  0.000  0.070  0.244                6dA 4' - 6dA H8
0.000  0.000  0.072  0.115                6dA H2 - 7dT 1'
0.000  0.000         0.202                6dA H8 - 7dT H6
0.411  0.563  0.810  0.896  0.310  0.350  6dA H8 - 7dT HM
1.075  1.794  1.870  1.516  0.210  0.235  7dT 1' - 7dT 2"
0.192  0.534  1.009  0.722  0.290  0.330  7dT 1' - 7dT 2'
0.069  0.086  0.088  0.202  0.350  0.420  7dT 1' - 8dG H8
0.226  0.833  0.584  0.827  0.240  0.290  7dT 2" - 8dG H8
0.503  0.447b 1.088  0.253b 0.230  0.270  7dT 2' - 7dT 3'
0.215  0.312  0.285  0.354  0.270  0.320  7dT 2' - 8dG H8
0.272  0.357b 0.650  0.281b 0.260  0.290  7dT 3' - 7dT 2"
0.000  0.000  0.000  0.046b               7dT 3' - 8dG H8
0.000                0.235b               7dT 3' - 7dT HM
0.121  0.447  0.861  1.016  0.330  0.390  7dT H6 - 7dT 2"
1.072  1.680  1.715  1.466  0.210  0.230  7dT H6 - 7dT 2'
0.000         0.075  0.138                7dT H6 - 8dG H8
0.880  1.553  2.171  2.123  0.215  0.260  8dG 1' - 8dG 2"
0.272  0.569  0.911  1.241  0.260  0.300  8dG 1' - 8dG 2'
0.000  0.287  0.366  0.510  0.290  0.360  8dG 1' - 8dG 3'
0.000  0.155  0.520  1.016                8dG 1' - 8dG 4'
0.012  0.086  0.294  0.313  0.400  0.500  8dG 1' - 8dG H8
0.357  0.555  1.283  1.250  0.240  0.280  8dG 2' - 8dG 3'
0.779  0.900  2.006  1.857  0.210  0.270  8dG 2' - 8dG H8
0.025         0.584  1.356b               8dG 2" - 8dG H8
       0.947  1.001  1.006  0.220  0.260  8dG 3' - 8dG 2"
                     0.937                8dG 3' - 8dG 4'
0.000  0.093  0.386  0.418  0.370  0.500  8dG 3' - 8dG H8

2. Overlapping cross-peaks
                      
0.712  1.700  2.230  2.205  0.220  0.330  1dC 4' - 1dC 5's
       0.165  0.350  0.434  0.380  0.500  1dC H6 - 1dC 5's
0.242  0.868b 1.300  1.510b               3dT 1' - 3dT 4'
                                          3dT 1' - 4dG 5'c
0.093  0.238  0.355  0.294  0.320  0.360  3dT 1' - 3dT H6
                                          7dT 1' - 7dT H6d
0.376  0.680  0.990  0.556  0.250  0.270  3dT 3' - 3dT 2"
0.376  0.680b 0.990  0.652b 0.250  0.270  5dC 3' - 5dC 2"
0.127  0.188  0.416  0.616  0.300  0.370  3dT 3' - 3dT H6
0.127  0.188  0.114  0.786  0.300  0.370  7dT 3' - 7dT H6
      0.090b  0.259  0.230b               3dT 4' - 3dT H6
                                          7dT 4' - 7dT H6d
0.318  0.700b 1.500  0.684b 0.250  0.290  4dG 3' - 4dG 4'
                                          6dA 3' - 6dA 4'd

3. Covalently bound proton pairs
                      
2.801  3.632b 3.082  2.201b 0.176         1dC 2' - 1dC 2"
                                          3dT 2' - 3dT 2"d
                                          5dC 2' - 5dC 2"d
0.761  1.412  2.105  2.749  0.246         1dC H6 - 1dC H5
3.762  4.429  3.054  2.201  0.176         2dA 2' - 2dA 2"
0.803  1.445  2.039  1.793  0.295         3dT H6 - 3dT HM
                                          7dT H6 - 7dT HMd
                     2.680b 0.176         4dG 2' - 4dG 2"
1.027  1.619  2.047  2.547  0.246         5dC H6 - 5dC H5
3.531  4.913  3.106  2.427  0.176         6dA 2' - 6dA 2"
2.816  4.007  3.001  2.386  0.176         7dT 2' - 7dT 2" 
2.900  5.025  4.341  3.300  0.176         8dG 2' - 8dG 2" 
                          
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  refers to non-stereospecifc NOEs to the
 protons on  5' methylene carbon. 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.
                      
B.  Glycosidic dihedral angle restraints
                      
        Allowed ranges of dihedral angles
        v0        v1        v2        v3        v4
Residue
  1  -40  -19   10   40  -39   01  -31   28  -06   39
  2  -40  -19   29   40  -39  -07  -18   28  -06   35
  3  -32  -19   33   40  -39  -14  -11   28  -06   32
  4  -32  -19   33   40  -39  -14  -11   28  -06   32
  5  -40  -19   04   40  -39   20  -36   28  -06   40
  6  -40  -19   10   40  -39   02  -31   28  -06   39
  7  -40  -19   10   40  -39   01  -31   28  -06   39
  8  -40  -19   10   40  -39   01  -31   28  -06   39

*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
  Start of ATOM             2
 Raw file had 183 H/Q atoms
  No match found for entry  H5*  C           1
    1   1H5*    C   1          H51*  C     1   5.930   6.530  14.000
    2   2H5*    C   1          H52*  C     1   6.230   7.820  12.850
    3    H4*    C   1           H4*  C     1   7.430   5.740  12.260
    4    H3*    C   1           H3*  C     1   5.520   7.120  10.500
    5   1H2*    C   1          H21*  C     1   4.750   5.200   9.480
    6   2H2*    C   1          H22*  C     1   6.400   4.880   8.980
    7    H1*    C   1           H1*  C     1   6.770   3.430  10.790
    8   1H4     C   1           H41  C     1   1.980  -0.710  10.810
    9   2H4     C   1           H42  C     1   0.820   0.480  10.940
   10    H5     C   1            H5  C     1   1.330   2.780  10.970
   11    H6     C   1            H6  C     1   3.150   4.470  11.030
   12   1H5*    A   2          H51*  A     2   9.430   5.140   9.350
   13   2H5*    A   2          H52*  A     2  10.290   5.990   8.070
   14    H4*    A   2           H4*  A     2  10.580   3.560   7.870
   15    H3*    A   2           H3*  A     2   9.640   5.310   5.800
   16   1H2*    A   2          H21*  A     2   7.650   4.160   5.380
   17   2H2*    A   2          H22*  A     2   8.710   3.000   4.590
   18    H1*    A   2           H1*  A     2   8.790   1.590   6.470
   19    H8     A   2            H8  A     2   5.760   4.030   6.620
   20   1H6     A   2           H61  A     2   2.540   0.770   7.790
   21   2H6     A   2           H62  A     2   2.430  -0.890   7.730
   22    H2     A   2            H2  A     2   6.550  -2.340   6.560
   23   1H5*    T   3          H51*  T     3  11.470   1.370   4.250
   24   2H5*    T   3          H52*  T     3  12.250   1.600   2.690
   25    H4*    T   3           H4*  T     3  10.700  -0.300   2.640
   26    H3*    T   3           H3*  T     3  10.550   2.010   0.860
   27   1H2*    T   3          H21*  T     3   8.200   2.110   0.920
   28   2H2*    T   3          H22*  T     3   8.250   0.570   0.090
   29    H1*    T   3           H1*  T     3   8.060  -0.660   2.100
   30    H3     T   3            H3  T     3   3.850  -0.260   3.670
   31   1H5M    T   3           H71  T     3   4.230   4.520   3.130
   32   2H5M    T   3           H72  T     3   4.950   4.260   4.740
   33   3H5M    T   3           H73  T     3   6.000   4.660   3.340
   34    H6     T   3            H6  T     3   7.200   2.990   2.560
   35   1H5*    G   4          H51*  G     4   9.680  -2.320   0.150
   36   2H5*    G   4          H52*  G     4  10.100  -2.940  -1.440
   37    H4*    G   4           H4*  G     4   8.100  -4.060  -0.510
   38    H3*    G   4           H3*  G     4   8.310  -2.930  -3.110
   39   1H2*    G   4          H21*  G     4   6.660  -1.300  -2.800
   40   2H2*    G   4          H22*  G     4   5.620  -2.660  -3.180
   41    H1*    G   4           H1*  G     4   5.270  -3.200  -0.880
   42    H8     G   4            H8  G     4   6.230   0.540  -1.410
   43    H1     G   4            H1  G     4   0.560  -0.540   1.370
   44   1H2     G   4           H21  G     4   0.120  -2.860   1.200
   45   2H2     G   4           H22  G     4   1.270  -3.890   0.570
   46   1H5*    C   5          H51*  C     5   5.040  -5.780  -1.540
   47   2H5*    C   5          H52*  C     5   4.790  -7.090  -2.690
   48    H4*    C   5           H4*  C     5   2.730  -6.630  -1.470
   49    H3*    C   5           H3*  C     5   2.980  -6.720  -4.260
   50   1H2*    C   5          H21*  C     5   2.290  -4.460  -4.660
   51   2H2*    C   5          H22*  C     5   0.700  -5.190  -4.440
   52    H1*    C   5           H1*  C     5   0.630  -4.530  -2.150
   53   1H4     C   5           H41  C     5   1.200   1.780  -2.420
   54   2H4     C   5           H42  C     5   2.610   1.710  -3.300
   55    H5     C   5            H5  C     5   3.590  -0.330  -4.020
   56    H6     C   5            H6  C     5   3.420  -2.790  -3.970
   57   1H5*    A   6          H51*  A     6  -0.900  -6.620  -1.890
   58   2H5*    A   6          H52*  A     6  -1.910  -7.960  -2.410
   59    H4*    A   6           H4*  A     6  -3.300  -6.150  -1.560
   60    H3*    A   6           H3*  A     6  -3.640  -7.380  -4.070
   61   1H2*    A   6          H21*  A     6  -3.050  -5.420  -5.360
   62   2H2*    A   6          H22*  A     6  -4.760  -5.120  -5.090
   63    H1*    A   6           H1*  A     6  -4.310  -3.750  -3.180
   64    H8     A   6            H8  A     6  -1.240  -3.960  -5.550
   65   1H6     A   6           H61  A     6  -0.170   0.660  -5.170
   66   2H6     A   6           H62  A     6  -1.000   2.050  -4.790
   67    H2     A   6            H2  A     6  -5.060   0.720  -3.340
   68   1H5*    T   7          H51*  T     7  -7.350  -4.710  -2.790
   69   2H5*    T   7          H52*  T     7  -8.810  -5.400  -3.490
   70    H4*    T   7           H4*  T     7  -8.660  -3.020  -4.000
   71    H3*    T   7           H3*  T     7  -8.700  -5.090  -6.110
   72   1H2*    T   7          H21*  T     7  -7.410  -3.810  -7.540
   73   2H2*    T   7          H22*  T     7  -8.710  -2.610  -7.470
   74    H1*    T   7           H1*  T     7  -7.690  -1.410  -5.730
   75    H3     T   7            H3  T     7  -4.140   0.830  -7.330
   76   1H5M    T   7           H71  T     7  -2.770  -3.150  -9.490
   77   2H5M    T   7           H72  T     7  -1.960  -3.460  -7.930
   78   3H5M    T   7           H73  T     7  -3.420  -4.380  -8.380
   79    H6     T   7            H6  T     7  -5.230  -3.840  -7.260
   80   1H5*    G   8          H51*  G     8 -10.930  -1.160  -5.990
   81   2H5*    G   8          H52*  G     8 -12.460  -1.110  -6.850
   82    H4*    G   8           H4*  G     8 -11.160   0.940  -7.220
   83    H3*    G   8           H3*  G     8 -12.300  -0.690  -9.280
   84   1H2*    G   8          H21*  G     8 -10.150  -1.170 -10.330
   85   2H2*    G   8          H22*  G     8 -10.440   0.420 -11.020
   86    H1*    G   8           H1*  G     8  -9.270   1.510  -9.270
   87    H8     G   8            H8  G     8  -8.000  -2.110  -9.910
   88    H1     G   8            H1  G     8  -3.780   2.670 -10.660
   89   1H2     G   8           H21  G     8  -4.960   4.710 -10.310
   90   2H2     G   8           H22  G     8  -6.570   4.680  -9.910
   91    H3*    G   8            HO  G     8 -11.590   2.150  -9.340
   92    H5*    C   9            HO  C     9   2.100   7.110 -12.470
   93   1H5*    C   9          H51*  C     9   1.020   8.710 -14.030
   94   2H5*    C   9          H52*  C     9   1.720   9.880 -12.910
   95    H4*    C   9           H4*  C     9  -0.590   9.290 -12.280
   96    H3*    C   9           H3*  C     9   1.730   8.840 -10.500
   97   1H2*    C   9          H21*  C     9   0.780   7.010  -9.440
   98   2H2*    C   9          H22*  C     9  -0.560   8.040  -9.000
   99    H1*    C   9           H1*  C     9  -1.850   7.320 -10.840
  100   1H4     C   9           H41  C     9  -1.840   1.000 -10.810
  101   2H4     C   9           H42  C     9  -0.190   0.910 -10.920
  102    H5     C   9            H5  C     9   1.230   2.790 -10.920
  103    H6     C   9            H6  C     9   1.310   5.280 -10.980
  104   1H5*    A  10          H51*  A    10  -2.380  10.470  -9.370
  105   2H5*    A  10          H52*  A    10  -2.300  11.700  -8.120
  106    H4*    A  10           H4*  A    10  -4.300  10.310  -7.850
  107    H3*    A  10           H3*  A    10  -2.320  10.760  -5.830
  108   1H2*    A  10          H21*  A    10  -1.880   8.520  -5.390
  109   2H2*    A  10          H22*  A    10  -3.440   8.570  -4.580
  110    H1*    A  10           H1*  A    10  -4.570   7.670  -6.440
  111    H8     A  10            H8  A    10  -0.740   7.020  -6.610
  112   1H6     A  10           H61  A    10  -1.020   2.420  -7.660
  113   2H6     A  10           H62  A    10  -2.200   1.250  -7.650
  114    H2     A  10            H2  A    10  -6.050   3.390  -6.620
  115   1H5*    T  11          H51*  T    11  -6.430   9.530  -4.260
  116   2H5*    T  11          H52*  T    11  -6.830  10.330  -2.740
  117    H4*    T  11           H4*  T    11  -7.260   7.930  -2.590
  118    H3*    T  11           H3*  T    11  -5.410   9.350  -0.840
  119   1H2*    T  11          H21*  T    11  -3.790   7.640  -0.880
  120   2H2*    T  11          H22*  T    11  -4.980   6.690  -0.020
  121    H1*    T  11           H1*  T    11  -5.780   5.680  -1.990
  122    H3     T  11            H3  T    11  -2.700   2.780  -3.600
  123   1H5M    T  11           H71  T    11   0.620   6.260  -3.140
  124   2H5M    T  11           H72  T    11  -0.100   6.630  -4.720
  125   3H5M    T  11           H73  T    11  -0.470   7.670  -3.300
  126    H6     T  11            H6  T    11  -2.500   7.450  -2.530
  127   1H5*    G  12          H51*  G    12  -8.080   5.830  -0.120
  128   2H5*    G  12          H52*  G    12  -8.830   5.730   1.470
  129    H4*    G  12           H4*  G    12  -8.350   3.500   0.530
  130    H3*    G  12           H3*  G    12  -7.630   4.390   3.140
  131   1H2*    G  12          H21*  G    12  -5.320   4.200   2.830
  132   2H2*    G  12          H22*  G    12  -5.680   2.520   3.200
  133    H1*    G  12           H1*  G    12  -5.860   1.920   0.900
  134    H8     G  12            H8  G    12  -3.640   5.080   1.440
  135    H1     G  12            H1  G    12  -0.770   0.080  -1.380
  136   1H2     G  12           H21  G    12  -2.240  -1.760  -1.170
  137   2H2     G  12           H22  G    12  -3.750  -1.570  -0.510
  138   1H5*    C  13          H51*  C    13  -7.690   0.030   1.540
  139   2H5*    C  13          H52*  C    13  -8.500  -1.000   2.720
  140    H4*    C  13           H4*  C    13  -6.820  -2.270   1.480
  141    H3*    C  13           H3*  C    13  -7.060  -2.140   4.270
  142   1H2*    C  13          H21*  C    13  -4.900  -1.160   4.680
  143   2H2*    C  13          H22*  C    13  -4.410  -2.840   4.490
  144    H1*    C  13           H1*  C    13  -3.860  -2.500   2.180
  145   1H4     C  13           H41  C    13   0.590   2.010   2.430
  146   2H4     C  13           H42  C    13  -0.370   3.050   3.310
  147    H5     C  13            H5  C    13  -2.570   2.480   4.030
  148    H6     C  13            H6  C    13  -4.330   0.770   3.980
  149   1H5*    A  14          H51*  A    14  -4.460  -5.090   1.890
  150   2H5*    A  14          H52*  A    14  -4.810  -6.710   2.450
  151    H4*    A  14           H4*  A    14  -2.540  -6.570   1.580
  152    H3*    A  14           H3*  A    14  -3.220  -7.640   4.090
  153   1H2*    A  14          H21*  A    14  -2.140  -5.900   5.370
  154   2H2*    A  14          H22*  A    14  -0.780  -6.980   5.110
  155    H1*    A  14           H1*  A    14  -0.050  -5.750   3.190
  156    H8     A  14            H8  A    14  -2.220  -3.570   5.560
  157   1H6     A  14           H61  A    14   0.600   0.230   5.330
  158   2H6     A  14           H62  A    14   2.190   0.530   4.920
  159    H2     A  14            H2  A    14   3.810  -3.390   3.350
  160   1H5*    T  15          H51*  T    15   1.210  -8.580   2.780
  161   2H5*    T  15          H52*  T    15   1.680 -10.160   3.390
  162    H4*    T  15           H4*  T    15   3.380  -8.500   3.910
  163    H3*    T  15           H3*  T    15   1.930  -9.950   6.040
  164   1H2*    T  15          H21*  T    15   2.030  -8.140   7.480
  165   2H2*    T  15          H22*  T    15   3.780  -8.320   7.410
  166    H1*    T  15           H1*  T    15   4.000  -6.740   5.670
  167    H3     T  15            H3  T    15   3.380  -2.620   7.350
  168   1H5M    T  15           H71  T    15  -0.570  -4.170   9.460
  169   2H5M    T  15           H72  T    15  -1.310  -3.820   7.880
  170   3H5M    T  15           H73  T    15  -1.030  -5.510   8.380
  171    H6     T  15            H6  T    15   0.570  -6.510   7.250
  172   1H5*    G  16          H51*  G    16   6.390  -8.980   5.890
  173   2H5*    G  16          H52*  G    16   7.430 -10.080   6.770
  174    H4*    G  16           H4*  G    16   8.070  -7.720   7.100
  175    H3*    G  16           H3*  G    16   7.700  -9.630   9.190
  176   1H2*    G  16          H21*  G    16   5.850  -8.400  10.220
  177   2H2*    G  16          H22*  G    16   7.210  -7.530  10.920
  178    H1*    G  16           H1*  G    16   7.240  -5.940   9.150
  179    H8     G  16            H8  G    16   3.700  -7.390   9.840
  180    H1     G  16            H1  G    16   4.550  -1.090  10.740
  181   1H2     G  16           H21  G    16   6.850  -0.630  10.310
  182   2H2     G  16           H22  G    16   7.870  -1.840   9.830
  183    H3*    G  16            HO  G    16   9.770  -8.370   8.780