*HEADER   R1D20MR   01-AUG-90
*COMPND   /DNA$ (5'-$D(*TP*CP*TP*AP*TP*CP*AP*CP*CP*GP)-3')              
*SOURCE   SYNTHETIC /DNA$                                               
*EXPDTA   NMR                                                           
*AUTHOR   J.D.BALEJA,B.D.SYKES                                          
*COORDS   1D20
*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).  
*REMARK

 File 9.  Experimental restraints for L10 DNAa
                      
A.  NOE intensities and distances in D2O

    Mixing time (sec.)      Distance estimate     Proton Pair  
                                (nm.) 
0.050   0.100   0.150   0.250   Lower  Upper        
                    
1.  Resolved cross-peaks
                    
0.0090  0.0150  0.0600  0.1090  0.370  0.520   1dT 1' -  2dC H6  
0.0000  0.0000  0.0150  0.1280                 1dT 1' -  2dC H6  
0.0410  0.0980  0.2030  0.3160  0.300  0.380   1dT 2" -  1dT H6 
0.3090  0.4540  0.6830  0.7980  0.230  0.240   1dT 2' -  1dT H6 
0.0090  0.0280  0.0340  0.1070  0.400  0.470   1dT 3' -  1dT 1' 
0.0615  0.0990  0.2170  0.3210  0.280  0.320   1dT 3' -  1dT 2" 
0.1850  0.2770  0.4580  0.5860  0.230  0.270   1dT 3' -  1dT 2'
0.0185  0.0315  0.0860  0.1670  0.340  0.420   1dT 3' -  1dT H6 
0.0000  0.0300  0.0320  0.0690  0.320  0.440   1dT 3' -  2dC H6
0.1595  0.3330  0.4030  0.7830  0.230  0.280   1dT 4' -  1dT 3' 
0.0000  0.0290  0.0520  0.0470  0.320  0.420   1dT 4' -  1dT H6 
0.0190  0.0500  0.0925  0.1650  0.380  0.430   1dT H6 -  1dT 1'
0.0080  0.0460  0.0810  0.1280  0.360  0.450   1dT H6 -  2dC H5 
0.0000  0.0000  0.0000  0.0160                 1dT H6 -  2dC H6 
0.0170  0.0550  0.0900  0.1490  0.380  0.430   2dC 1' -  2dC H6 
0.0330  0.0270  0.0755  0.1050  0.350  0.400   2dC 1' -  3dT H6
0.0275  0.0200  0.0700  0.1320  0.390  0.500   2dC 1' -  3dT HM
0.0000  0.0000  0.0550  0.0800  0.320  0.460   2dC 1' - 20dA H2 
0.4910  0.7280  0.8670b 0.9910b 0.220  0.260   2dC 2' -  2dC H6 
0.0000  0.0000  0.0470  0.1000  0.330  0.500   2dC 3' -  2dC 1' 
0.0000  0.0520  0.0710  0.1180  0.290  0.380   2dC 3' -  2dC H6 
0.0745  0.1420  0.1560  0.3180  0.250  0.320   2dC 4' -  2dC 1' 
0.0000  0.0000  0.0170  0.0550  0.400  0.650   2dC 4' -  2dC H6
0.0000  0.0700  0.1840  0.1880  0.340  0.460   2dC H5 -  3dT HM
0.0000  0.0000  0.0330  0.0330  0.350  0.450   2dC H6 -  3dT H6 
0.0720  0.1010  0.1780  0.3660  0.310  0.430   2dC H6 -  3dT HM
0.0000  0.0000  0.0000  0.0260                 3dT 1' -  4dA 1' 
0.0145  0.0350  0.0705  0.0980  0.390  0.440   3dT 1' -  4dA H8
0.2920  0.5520  0.7060  0.8150  0.210  0.240   3dT 2" -  3dT 1' 
0.0690  0.1000  0.1570  0.2360  0.270  0.300   3dT 2" -  4dA H8 
0.1025  0.1400  0.2300  0.3970  0.270  0.310   3dT 2' -  3dT 1' 
0.6120  0.8790  0.9140b 1.1600b 0.210  0.240   3dT 2' -  3dT H6 
0.0245  0.0300  0.0580  0.1330  0.330  0.390   3dT 2' -  4dA H8 
0.0130  0.0410  0.0890  0.1320  0.360  0.430   3dT 3' -  3dT 1' 
0.2610  0.3920  0.5900  0.6750  0.210  0.240   3dT 3' -  3dT 2' 
0.0120  0.0820  0.0770  0.1750  0.290  0.420   3dT 3' -  3dT H6 
0.0000  0.0030  0.0190  0.0440  0.460  0.550   3dT 3' -  4dA H8
0.0000  0.0000  0.0130  0.0450  0.480  0.700   3dT H6 -  4dA H8 
0.0135  0.0390  0.0600  0.1390  0.400  0.450   4dA 1' -  4dA H8 
0.0000  0.0150  0.0240  0.0320  0.420  0.480   4dA 1' -  5dT 1' 
0.0305  0.0600  0.1165  0.1730  0.350  0.380   4dA 1' -  5dT H6 
0.0000  0.0000  0.0580  0.1250  0.440  0.550   4dA 1' -  5dT HM
0.2830  0.4110  0.5640  0.6770  0.210  0.240   4dA 2" -  4dA 1' 
0.0340  0.1010  0.1310  0.3300  0.270  0.390   4dA 2" -  4dA H8 
0.1150  0.2230  0.2030  0.1850  0.230  0.270   4dA 2" -  5dT H6 
0.0355  0.1180  0.2090  0.1970  0.330  0.560   4dA 2" -  5dT HM
0.0980  0.1840  0.3320  0.4530  0.260  0.300   4dA 2' -  4dA 1' 
0.2770  0.3150  0.4620  0.5180  0.210  0.230   4dA 2' -  4dA H8 
0.0465  0.0520  0.1220  0.1310  0.290  0.350   4dA 2' -  5dT H6 
0.0105  0.0270  0.0790  0.1850  0.380  0.460   4dA 3' -  4dA 1' 
0.1630  0.3080  0.4380  0.5410  0.230  0.270   4dA 3' -  4dA 2" 
0.0150  0.0365  0.0695  0.1320  0.360  0.420   4dA 3' -  4dA H8 
0.0117  0.0070  0.0340  0.0840  0.360  0.490   4dA 3' -  5dT H6
0.0540  0.1250  0.1780  0.2500  0.280  0.330   4dA 4' -  4dA 1' 
0.0150  0.0560  0.0740  0.1170  0.350  0.420   4dA 4' -  4dA 2" 
0.0000  0.0000  0.0140  0.0410  0.430  0.650   4dA 4' -  4dA H8 
0.0000  0.0000  0.0055b 0.0120b                4dA H2 -  4dA 1'   
0.0000  0.0070  0.0205  0.0480  0.450  0.560   4dA H8 -  5dT H6
0.0735  0.1580  0.2600  0.3930  0.320  0.400   4dA H8 -  5dT HM
0.0230  0.0370  0.0950  0.1420  0.350  0.400   5dT 1' -  5dT H6 
0.0000  0.0000  0.0000  0.0290                 5dT 1' -  6dC H5 
0.0050  0.0370  0.0605  0.1360  0.380  0.550   5dT 1' -  6dC H6 
0.3200  0.5360  0.6230  0.9000  0.210  0.240   5dT 2" -  5dT 1' 
0.0535  0.1310  0.2700  0.2130  0.280  0.370   5dT 2" -  5dT H6 
0.1740  0.2220  0.2170b 0.3590b 0.260  0.300   5dT 2" -  6dC H6 
0.0420  0.1300  0.2160  0.3540  0.300  0.370   5dT 2' -  5dT 1'
0.2625  0.5220  0.6670  0.4330  0.200  0.230   5dT 2' -  5dT H6 
0.0270  0.0490  0.0640  0.1540  0.340  0.460   5dT 3' -  5dT 1' 
0.0000  0.0510  0.0620  0.1130  0.300  0.420   5dT 3' -  5dT H6 
0.0000  0.0000  0.0060b 0.0130  0.480  0.670   5dT H6 -  4dA 4'
0.0140  0.0420  0.0630  0.1120  0.370  0.440   5dT H6 -  6dC H5 
0.0000  0.0000  0.0100  0.0580  0.480          5dT H6 -  6dC H6 
0.0210  0.0350  0.0690  0.1260  0.370  0.410   6dC 1' -  6dC H6
0.0195  0.0320  0.0545  0.0790  0.370  0.410   6dC 1' -  7dA H8 
0.2230  0.4550  0.5310b 0.6910b 0.230  0.300   6dC 2" -  6dC 1' 
0.0520  0.1100  0.2830b 0.4000b 0.330  0.430   6dC 2" -  6dC H6 
0.0550  0.1030  0.1240  0.1920  0.280  0.320   6dC 2" -  7dA H8 
0.0320  0.0980  0.1950  0.3250  0.290  0.350   6dC 2' -  6dC 1' 
0.5360  0.8430  0.8560b 1.0240b 0.210  0.250   6dC 2' -  6dC H6 
0.0485  0.0480  0.1020  0.1050  0.290  0.360   6dC 2' -  7dA H8 
0.0370  0.1260  0.1100  0.1910b 0.330  0.440   6dC 3' -  6dC H6 
0.0000  0.0000  0.0220  0.0310  0.350  0.500   6dC 3' -  7dA H8 
0.0000  0.0270  0.0740b         0.470  0.700   6dC H5 -  5dT HM
0.0000  0.0000  0.0140  0.0230  0.460  0.530   6dC H6 -  7dA H8 
0.0165  0.0470  0.0720  0.1640  0.380  0.440   7dA 1' -  7dA H8 
0.0000  0.0000  0.0150  0.0180  0.400  0.540   7dA 1' -  8dC 1' 
0.0000  0.0000  0.0150  0.0640                 7dA 1' -  8dC H5 
0.0215  0.0930  0.1310  0.2140  0.320  0.450   7dA 1' -  8dC H6 
0.0775  0.1320  0.1480  0.4320  0.280  0.360   7dA 2" -  7dA H8 
0.0400  0.0370  0.1200  0.1710  0.280  0.370   7dA 2" -  8dC H5 
0.1600  0.2720  0.3010  0.3070  0.220  0.260   7dA 2" -  8dC H6 
0.0835  0.2290  0.3900  0.5950  0.270  0.320   7dA 2' -  7dA 1' 
0.3675  0.5070  0.7090  0.7270  0.205  0.230   7dA 2' -  7dA H8 
0.0000  0.0600  0.0940  0.1730  0.300  0.360   7dA 2' -  8dC H5 
0.0520  0.1050  0.1110  0.2080  0.270  0.350   7dA 2' -  8dC H6 
0.0153  0.0470  0.0930  0.1520  0.350  0.420   7dA 3' -  7dA H8 
0.0000  0.0000  0.0170  0.0300  0.430  0.540   7dA 3' -  8dC H5 
0.0000  0.0130  0.0280  0.0610  0.330  0.500   7dA 3' -  8dC H6 
0.0630  0.1360  0.2010  0.2650  0.260  0.360   7dA 4' -  7dA 1' 
0.0000  0.0000  0.0440  0.0950  0.360  0.500   7dA 4' -  7dA 2" 
0.1845  0.3700  0.6300  0.6700  0.220  0.270   7dA 4' -  7dA 3' 
0.0000  0.0000  0.0035  0.0400                 7dA 4' -  7dA H8 
0.0100  0.0420  0.0590  0.0850  0.370  0.470   7dA H8 -  8dC H5
0.0000  0.0035  0.0275  0.0770  0.480  0.540   7dA H8 -  8dC H6 
0.0215  0.0420  0.0880  0.1710  0.360  0.420   8dC 1' -  8dC H6 
0.0160  0.0260  0.0435  0.0640  0.390  0.430   8dC 1' -  9dC H6 
0.2880  0.5040  0.7180  0.8970  0.210  0.240   8dC 2" -  8dC 1' 
0.0000  0.0160  0.0445  0.0840  0.410  0.520   8dC 2" -  8dC H5 
0.0435  0.1490  0.2580  0.3560  0.300  0.420   8dC 2" -  8dC H6 
0.1500  0.1950  0.4990b 0.7630b 0.240  0.330   8dC 2" -  9dC H6 
0.0615  0.1490  0.2750  0.3590  0.280  0.330   8dC 2' -  8dC 1' 
0.0000  0.0220  0.0940  0.1900  0.390  0.500   8dC 2' -  8dC H5 
0.4030  0.5940  0.6910  0.6500  0.190  0.220   8dC 2' -  8dC H6 
0.0235  0.0460  0.0820  0.1020  0.320  0.380   8dC 3' -  8dC 1' 
0.0740  0.1150  0.3110  0.4000  0.270  0.310   8dC 3' -  8dC 2" 
0.3020  0.3320  0.6140  0.5820  0.210  0.240   8dC 3' -  8dC 2'
0.0000  0.0400  0.0950  0.1750  0.330  0.420   8dC 3' -  8dC H6 
0.0000  0.0000  0.0000  0.0240b                8dC 4' -  8dC H5
0.0185  0.0450  0.0630  0.0910  0.360  0.420   8dC H6 -  9dC H5 
0.0000  0.0000  0.0000  0.0170                 8dC H6 -  9dC H6
0.0130  0.0300  0.0580  0.1200  0.380  0.460   9dC 1' - 10dG H8 
0.3320  0.5000  0.8180  1.1660  0.210  0.240   9dC 2" -  9dC 1' 
0.0500  0.1950  0.4990b 0.7630b 0.260  0.390   9dC 2" -  9dC H6 
0.0300  0.2070  0.2810b 0.3170b 0.250          9dC 2' -  9dC 1'
0.5820  0.8380  0.9410b 1.1600b 0.210  0.250   9dC 2' -  9dC H6 
0.0455  0.0440  0.0600  0.0610  0.290  0.340   9dC 2' - 10dG H8
0.0160  0.0600  0.0890  0.1150  0.340  0.550   9dC 3' -  9dC 1'
0.0000  0.0000  0.0830  0.1550  0.300  0.450   9dC 3' -  9dC H6 
0.0000  0.0230  0.0192b 0.0220b 0.450          9dC 3' - 10dG H8 
0.0000  0.0000  0.0000  0.0120                 9dC H6 - 10dG H8 
0.0163  0.0360  0.0590  0.1450  0.390  0.430  10dG 1' - 10dG H8 
0.4050  0.5320  0.9730  1.2520  0.200  0.240  10dG 2" - 10dG 1' 
0.0450  0.2770  0.3200b 0.6190b 0.260  0.350  10dG 2' - 10dG 1' 
0.2700  0.4460  0.6540  0.4650  0.210  0.230  10dG 2' - 10dG H8 
0.0110  0.0405  0.0950  0.1440  0.370  0.460  10dG 3' - 10dG 1' 
0.2030  0.3490  0.5030  0.6850  0.220  0.260  10dG 3' - 10dG 2' 
0.0345  0.0860  0.1640  0.2450  0.300  0.360  10dG 3' - 10dG H8 
0.0830  0.1590  0.2440          0.260  0.300  10dG 4' - 10dG 1' 
0.1590  0.3070  0.3750  0.6760  0.240  0.280  10dG 4' - 10dG 3' 
0.0000  0.0170  0.0220  0.0460  0.360  0.470  10dG 4' - 10dG H8 
0.0665  0.0980  0.0980  0.3030  0.320  0.360  11dC 1' - 11dC H6 
0.0000  0.0000  0.0150  0.0370  0.400  0.590  11dC 1' - 12dG 4'
0.0150  0.0220  0.0360  0.0670  0.400  0.440  11dC 1' - 12dG H8 
0.2910  0.5530  0.7300  0.9940  0.210  0.240  11dC 2" - 11dC 1' 
0.0505  0.1030  0.1600  0.3390  0.280  0.370  11dC 2" - 11dC H6 
0.0510  0.1590  0.1950  0.4070  0.290  0.330  11dC 2' - 11dC 1' 
0.0000  0.0000  0.0760  0.1530  0.310  0.440  11dC 2' - 11dC H5 
0.3335  0.4480  0.6460  0.7640  0.210  0.240  11dC 2' - 11dC H6 
0.0647  0.1090  0.1160  0.2100  0.260  0.320  11dC 2' - 12dG H8 
0.0000  0.0460  0.0620  0.0980  0.310  0.370  11dC 3' - 11dC 1' 
0.2290  0.3430  0.5530  0.6700  0.220  0.260  11dC 3' - 11dC 2' 
0.0000  0.0000  0.0000  0.0190                11dC 3' - 11dC H5 
0.0000  0.0410  0.0530  0.1510  0.310  0.460  11dC 3' - 11dC H6
0.0060  0.0000  0.0100  0.0340  0.400  0.500  11dC 4' - 11dC H6
0.0000  0.0000  0.0000  0.0320                11dC H6 - 12dG H8 
0.0800  0.1420  0.2500  0.2710  0.290  0.350  12dG 1' - 12dG 2' 
0.2700  0.5800  0.6290b 0.6800b 0.220  0.270  12dG 1' - 12dG 2" 
0.3040  0.5320  0.7200  0.8870  0.210  0.230  13dG 2" - 13dG 1' 
0.0130  0.0350  0.0620  0.1600  0.380  0.460  12dG 1' - 12dG H8
0.0000  0.0000  0.0000  0.0210  0.400  0.500  12dG 1' - 13dG 1'
0.0000  0.0000  0.0200  0.0330  0.380  0.500  12dG 1' - 13dG 4' 
0.0460  0.1310  0.1705  0.2830  0.300  0.370  12dG 1' - 13dG H8 
0.0280  0.0820  0.1210  0.2350  0.310  0.380  12dG 3' - 12dG 1' 
0.0100  0.0380  0.0590  0.1660  0.380  0.480  12dG 3' - 12dG H8
0.0455  0.0960  0.1730  0.1460  0.280  0.330  12dG 4' - 12dG 1' 
0.1550  0.3500  0.5700  0.6900  0.230  0.290  12dG 4' - 12dG 3'
0.0000  0.0120  0.0180  0.0410  0.390  0.500  12dG 4' - 12dG H8 
0.0000  0.0000  0.0000  0.0140                12dG 4' - 13dG H8 
0.0095  0.0190  0.0960  0.1640  0.400  0.490  13dG 1' - 13dG H8 
0.0000  0.0000  0.0035b 0.0570  0.400  0.470  13dG 1' - 14dT 1' 
0.0000  0.0000  0.0000  0.0190                13dG 1' - 14dT 3' 
0.0275  0.0590  0.0820  0.1750  0.350  0.390  13dG 1' - 14dT H6 
0.0000  0.0280  0.0900  0.1670  0.460  0.600  13dG 1' - 14dT HM
0.1500  0.2190  0.3190  0.3770  0.240  0.280  13dG 2" - 14dT H6
0.1100  0.2740  0.4200  0.6600  0.250  0.300  13dG 2' - 13dG 1' 
0.2830  0.4580  0.5060  0.5460  0.210  0.240  13dG 2' - 13dG H8 
0.0240  0.0650  0.1090  0.2050  0.340  0.420  13dG 3' - 13dG 1' 
0.0255  0.0470  0.1230  0.2530  0.330  0.400  13dG 3' - 13dG H8 
0.0610  0.1205  0.1770  0.1860  0.270  0.310  13dG 4' - 13dG 1' 
0.0000  0.0140  0.0290  0.0470  0.370  0.460  13dG 4' - 13dG H8
0.0000  0.0100  0.0240  0.0510  0.460  0.540  13dG H8 - 14dT H6 
0.0740  0.1690  0.2100  0.3090  0.310  0.400  13dG H8 - 14dT HM
0.0200  0.0565  0.1080  0.1740  0.370  0.430  14dT 1' - 14dT H6 
0.0000  0.0000  0.0000  0.0270                14dT 1' - 15dG 3' 
0.0000  0.0000  0.0160  0.0360  0.400  0.550  14dT 1' - 15dG 4' 
0.0135  0.0390  0.0550  0.0960  0.389  0.450  14dT 1' - 15dG H8 
0.2920  0.4610  0.7030  0.7840  0.210  0.240  14dT 2" - 14dT 1' 
0.0765  0.1480  0.2230  0.4990  0.270  0.350  14dT 2" - 14dT H6 
0.0880  0.1320  0.2030  0.1850  0.250  0.280  14dT 2" - 15dG H8 
0.0935  0.1720  0.3610  0.5320  0.270  0.330  14dT 2' - 14dT 1' 
0.4465  0.5510  0.5800  0.8870  0.200  0.230  14dT 2' - 14dT H6 
0.0515  0.0760  0.1030  0.1150  0.280  0.330  14dT 2' - 15dG H8 
0.0110  0.0420  0.0760  0.1890  0.350  0.420  14dT 3' - 14dT 1' 
0.1730  0.3580  0.6150          0.230  0.280  14dT 3' - 14dT 2' 
0.0000  0.0000  0.0260  0.0690  0.400  0.520  14dT 3' - 15dG H8 
0.0195  0.0540  0.1240  0.1520  0.330  0.400  14dT H6 - 14dT 3'
0.0000  0.0145  0.0290  0.0360  0.410  0.490  14dT H6 - 15dG H8 
0.0095  0.0520  0.0525  0.1410  0.370  0.460  15dG 1' - 15dG H8 
0.0510  0.1340  0.1920  0.2580  0.300  0.370  15dG 1' - 16dA H8 
0.2080  0.4170  0.4620b 0.7270b 0.220  0.300  15dG 2" - 15dG 1' 
0.0820  0.1240  0.3180  0.3420  0.270  0.370  15dG 2" - 15dG H8 
0.1190  0.1750  0.2920  0.3290  0.240  0.270  15dG 2" - 16dA H8 
0.0780  0.2030  0.2610  0.4350  0.270  0.370  15dG 2' - 15dG 1' 
0.3005  0.4390  0.6460  0.4990  0.205  0.230  15dG 2' - 15dG H8 
0.0485  0.0790  0.1640  0.1990  0.290  0.340  15dG 2' - 16dA H8 
0.0200  0.0580  0.1010  0.2190  0.360  0.400  15dG 3' - 15dG 1' 
0.0103  0.0410  0.0920  0.1300  0.380  0.460  15dG 3' - 15dG H8 
0.0520  0.1150  0.1610  0.2120  0.270  0.330  15dG 4' - 15dG 1' 
0.0000  0.0000  0.0130  0.0420  0.450  0.630  15dG 4' - 15dG H8
0.0000  0.0000  0.0000  0.0120                15dG 4' - 16dA H8 
0.0000  0.0000  0.0150  0.0450  0.460  0.780  15dG H8 - 16dA H8 
0.0095  0.0420  0.0730  0.1390  0.390  0.490  16dA 1' - 16dA H8 
0.0195  0.0370  0.1060  0.1520  0.370  0.420  16dA 1' - 17dT H6 
0.0000  0.0210  0.0500  0.0780b 0.450  0.590  16dA 1' - 17dT HM
0.0730  0.1170  0.2500  0.3310  0.270  0.350  16dA 2" - 16dA H8 
0.2220  0.2700  0.2170  0.3800  0.220  0.250  16dA 2" - 17dT H6 
0.0185  0.0760  0.0790  0.2750  0.370  0.530  16dA 2" - 17dT HM
0.0860  0.2260  0.2700  0.3020  0.270  0.370  16dA 2' - 16dA 1' 
0.2855  0.3620  0.5270  0.5170  0.200  0.240  16dA 2' - 16dA H8 
0.0630  0.1360  0.2010  0.2650  0.260  0.360  16dA 4' - 16dA 1' 
0.0090  0.0350  0.1120  0.1370  0.380  0.500  16dA 4' - 16dA 2" 
0.0035  0.0190  0.0140  0.0480  0.380  0.520  16dA 4' - 16dA H8 
0.0000  0.0000  0.0180  0.0420  0.400  0.630  16dA 4' - 17dT H6
0.0000  0.0000  0.0000  0.0200b               16dA H8 - 17dT 4'
0.0000  0.0125  0.0235  0.0550  0.450  0.540  16dA H8 - 17dT H6 
0.0900  0.1450  0.2650  0.3960  0.320  0.410  16dA H8 - 17dT HM
0.0170  0.0310  0.0835  0.1220  0.370  0.420  17dT 1' - 17dT H6
0.0000  0.0220  0.0380  0.0640  0.410  0.450  17dT 1' - 18dA H8 
0.2730  0.4020  0.5840  0.6970  0.210  0.250  17dT 2" - 17dT 1' 
0.0475  0.1020  0.1260  0.2820  0.290  0.370  17dT 2" - 17dT H6 
0.0557  0.0870  0.1050  0.1270  0.260  0.310  17dT 2" - 18dA H8 
0.0470  0.1400  0.2200  0.3630  0.290  0.330  17dT 2' - 17dT 1' 
0.3485  0.4800  0.6280  0.5620  0.200  0.240  17dT 2' - 17dT H6 
0.0285  0.0600  0.0740  0.0760  0.310  0.360  17dT 2' - 18dA H8 
0.0110  0.0680  0.0430  0.0680  0.320  0.500  17dT 3' - 17dT H6 
0.0000  0.0000  0.0000  0.0100  0.450         17dT 3' - 18dA H8
0.0000  0.0000  0.0110  0.0290  0.530  0.640  17dT H6 - 18dA H8 
0.0215  0.0410  0.0610  0.1340  0.370  0.410  18dA 1' - 18dA H8
0.0085  0.0510  0.0630  0.1230  0.350  0.480  18dA 1' - 19dG H8 
0.3000  0.4840  0.7100  0.7340  0.210  0.240  18dA 2" - 18dA 1' 
0.0515  0.1640  0.3140  0.4590  0.290  0.390  18dA 2" - 18dA H8 
0.0710  0.1090  0.1840  0.2360  0.260  0.300  18dA 2" - 19dG H8 
0.0870  0.2360  0.3280  0.4770  0.260  0.310  18dA 2' - 18dA 1' 
0.3705  0.5130  0.6100  0.6010  0.200  0.220  18dA 2' - 18dA H8 
0.0250  0.0270  0.0980  0.1740  0.310  0.410  18dA 3' - 18dA 1' 
0.0108  0.0330  0.0700  0.1450  0.380  0.450  18dA 3' - 18dA H8 
0.0000  0.0000  0.0290  0.0400  0.350  0.460  18dA 3' - 19dG H8 
0.0555  0.1010  0.2420  0.3160  0.280  0.330  18dA 4' - 18dA 1' 
0.0130  0.0200  0.0360  0.0560  0.360  0.430  18dA 4' - 18dA 2'
0.0000  0.0050  0.0150  0.0500  0.490  0.650  18dA 4' - 18dA H8 
0.0000  0.0000  0.0030b 0.0310b               18dA H2 -  4dA 1' 
0.0000  0.0130  0.0265b 0.0270b               18dA H2 - 18dA 1' 
0.0000  0.0000  0.0115  0.0500                18dA H8 - 19dG H8 
0.0330  0.0700  0.1390  0.1830  0.350  0.390  19dG 1' - 19dG H8 
0.0000  0.0000  0.0240  0.0340  0.360  0.480  19dG 1' - 20dA 1' 
0.0400  0.0730  0.1200  0.1610  0.330  0.370  19dG 1' - 20dA H8 
0.2750  0.3830  0.5810  0.8490  0.220  0.250  19dG 2" - 19dG 1' 
0.2710  0.3250  0.4980  0.5730  0.210  0.240  19dG 2' - 19dG H8 
0.0000  0.0260  0.0690  0.1920  0.350  0.460  19dG 3' - 19dG 1' 
0.2280  0.3610  0.6140          0.210  0.260  19dG 3' - 19dG 2' 
0.0063  0.0460  0.0780  0.1250  0.340  0.470  19dG 3' - 19dG H8 
0.0000  0.0000  0.0230  0.0420  0.400  0.550  19dG 3' - 20dA H8 
0.0555  0.1310  0.2520  0.1460  0.270  0.320  19dG 4' - 19dG 1' 
0.0160  0.0300  0.0510  0.1180  0.350  0.410  19dG 4' - 19dG 2" 
0.0160  0.0280  0.0620  0.1130  0.360  0.420  19dG 4' - 19dG 2' 
0.1300  0.2000  0.3260  0.7000  0.250  0.290  19dG 4' - 19dG 3' 
0.0000  0.0000  0.0000  0.0480                19dG 4' - 19dG H8 
0.0000  0.0000  0.0000  0.0310                19dG H8 - 20dA H8
0.0210  0.0150  0.0185  0.0340  0.380  0.460  20dA 1' - 20dA H2
0.0255  0.0435  0.0725  0.1410  0.370  0.400  20dA 1' - 20dA H8 
0.3280  0.5370  0.8140  0.9290  0.210  0.240  20dA 2" - 20dA 1' 
0.0530  0.1190  0.2060  0.3020  0.310  0.450  20dA 2" - 20dA H8 
0.0890  0.1990  0.3020  0.5040  0.270  0.300  20dA 2' - 20dA 1' 
0.0065  0.0190  0.0730  0.0600  0.400  0.550  20dA 2' - 20dA H2
0.3235  0.4360  0.7280  0.8630  0.210  0.230  20dA 2' - 20dA H8 
0.0100  0.0150  0.0665  0.1440  0.370  0.470  20dA 3' - 20dA 1' 
0.1185  0.1400  0.2710  0.3870  0.250  0.290  20dA 3' - 20dA 2" 
0.1570  0.2820  0.4520  0.6020  0.240  0.270  20dA 3' - 20dA 2' 
0.0185  0.0480  0.0970  0.1640  0.320  0.400  20dA 3' - 20dA H8 
0.0685  0.1730  0.2440  0.4080  0.270  0.320  20dA 4' - 20dA 1' 
0.0780  0.2100  0.2580  0.4880  0.260  0.300  20dA 4' - 20dA 3' 
0.0100  0.0050  0.0300  0.0500  0.370  0.480  20dA 4' - 20dA H8 

2.  Overlapping cross-peaks            
                    
0.2650  0.4400  0.5800  0.8000  0.220  0.250   1dT 2" -  1dT 1'
                                               2dC 2" -  2dC 1'd 
0.0500  0.1000  0.2300  0.4000  0.300  0.400   1dT 2' -  1dT 1'
                                               2dC 2' -  2dC 1'd 
0.2490  0.4680  0.6560b 0.8740b 0.260          3dT 2" -  3dT H6  
                                               2dC 2" -  3dT H6d
0.1250  0.2560  0.2900  0.6500  0.250  0.290   4dA 4' -  4dA 3'
                                              13dG 4' - 13dG 3'd 
                                              16dA 4' - 16dA 3'd
0.0000  0.0270  0.0400b 0.1000b                4dA H2 -  5dT 1'
                                               4dA H2 - 18dA 1'c
0.0000  0.0000  0.0270  0.0850  0.430  0.550   5dT 1' -  6dC 1'  
                                              17dT 1' - 18dC 1'c
                                              18dT 1' - 19dC 1'c
0.3050  0.5280  0.7140b 0.9960b                6dC H5 -  6dC H6  
                                               3dT 1' -  3dT H6c
0.0190  0.0350  0.0210  0.0880  0.340  0.500   6dC 1' -  6dC 3'
                                              17dT 1' - 17dT 3'd 
0.0100  0.0680  0.1180  0.2155  0.370  0.470   7dA 3' -  7dA 1'
                                              16dA 3' - 16dA 1'd
0.1500  0.3200  0.4410  0.6000  0.210  0.280   7dA 3' -  7dA 2" 
                                              16dA 3' - 16dA 2"d   
0.3200  0.5850  0.8050b 1.0310b                9dC H5 -  9dC H6  
                                               9dC 1' -  9dC H6c
0.0810  0.1570  0.2800  0.4300  0.270  0.340  11dC 3' - 11dC 2"  
                                              10dG 3' - 10dG 2"d 
0.3570  0.7300  0.5950b 1.1850b 0.210  0.280  12dG 2' - 12dG H8c 
                                              12dG 2" - 12dG H8
0.0106  0.0330  0.0895  0.1375  0.340  0.500  13dG 4' - 13dG 2'
                                              16dA 4' - 16dA 2'd 
0.0475  0.1240  0.1425  0.2435  0.270  0.370  13dG 2' - 14dT H6
                                              16dA 2' - 17dT H6d
0.3200  0.4000  0.8300  0.8000  0.200  0.250  13dG 3' - 13dG 2' 
                                              16dA 3' - 16dA 2'd
                                              18dA 3' - 18dA 2'd
0.1830  0.3830  0.5820  0.1260  0.250  0.400  13dG H8 - 12dG 2'
                                              13dG H8 - 12dG 2"c
                                              13dG H8 - 13dG 2"c
0.2630  0.3880  0.6410  0.8100                14dT H6 - 14dT HM 
                                              17dT H6 - 17dT HMd
0.1450  0.3100  0.3400  0.7000  0.250  0.290  15dG 4' - 15dG 3'
                                              18dA 4' - 18dA 3'd
0.0295  0.0770  0.1040b 0.2450b 0.290  0.400  16dA H8 - 16dA 3' 
                                              16dA H8 - 15dG 3'c
0.0120  0.0205  0.0405  0.0655  0.350  0.440  16dA 3' - 17dT H6
                                              13dG 3' - 14dT H6d 
0.3400  0.5000  0.6950  0.8000  0.200  0.240  16dA 2" - 16dA 1'
                                               7dA 2" -  7dA 1'd 
0.0900  0.2400  0.2900  0.5250  0.250  0.370  18dA 2' - 19dG H8   
                                              19dG 2" - 19dG H8c
                                              13dG H8 - 13dG 2"c

3.  Covalently bound proton pairs            

0.1950  0.3330  0.4000  0.5120                 1dT H6 -  1dT HM 
0.3090  0.5150  0.6860  0.9270  [0.246]        2dC H6 -  2dC H5
0.2420  0.4190  0.6020  0.7980                 3dT H6 -  3dT HM
0.9770  1.4230  1.5830  1.1100  [0.177]        4dA 2" -  4dA 2' 
0.1830  0.3880  0.5850  0.8100                 5dT H6 -  5dT HM
1.1940  1.8900  1.6630  1.6490  [0.177]        7dA 2" -  7dA 2' 
0.2855  0.3990  0.7310  0.8970  [0.246]        8dC H6 -  8dC H5 
1.0830  1.6700  2.3300  1.7000  [0.177]       10dG 2" - 10dG 2' 
0.7610  1.2000  1.4790  1.4410  [0.177]       11dC 2" - 11dC 2' 
0.3210  0.5550  0.6870  1.1060  [0.246]       11dC H6 - 11dC H5 
1.0560  1.5050  1.6290  1.2470  [0.177]       16dA 2" - 16dA 2' 
0.7120  1.0180  1.1290  0.9630  [0.177]       17dT 2" - 17dT 2' 
1.1720  1.6000  1.9000  1.7000  [0.177]       18dA 2" - 18dA 2'
                                               3dG 2" - 13dG 2'd
0.9310  1.3600  1.5800  1.4800  [0.177]        1dT 2" -  1dT 2'
                                               2dC 2" -  2dC 2'd   
                                               3dT 2" -  3dT 2'd
0.9100  1.2450  1.4700  1.3700  [0.177]        5dT 2" -  5dT 2'
                                               6dT 2" -  6dT 2'd
                                               8dT 2" -  8dT 2'd
                                               9dT 2" -  9dT 2'd
                                              14dT 2" - 14dT 2'd

B.  NOE intensities and distances for exchangeable protons e    
                        
NOE intensities            Distance (nm.)    Proton pair    
                    
  .1    .2    .3    .5 sec.              
                    

 1.25   2.55   5.6    6.55  0.350  0.410   3dT H3 - 19dG H1
 1.05   2.35   3.4    3.8   0.350  0.410   3dT H3 - 17dT H3
 0.9    2.35   4.8    5.8   0.350  0.410  15dG H1 -  5dT H3
 1.3    2.95   4.2    6.15  0.350  0.410  15dG H1 - 14dT H3
 1.3    2.45   3.85   6.55  0.360  0.410  13dG H1 - 14dT H3
 1.2    3.55   3.95   5.85  0.350  0.410  13dG H1 - 12dG H1

 5.3   11.9  17.5    26.7   0.280  0.320   3dT H3 - 18dA H2
 1.4    1.9   2.0    5.7    0.380  0.460   3dT H3 -  4dA H2
 1.8    3.25  4.0    7.45   0.320  0.440  15dG H1 -  7dA H2
                                          15dG H1 - 16dA H2d
 8.0   13.7  21.6    30.4   0.270  0.310  14dT H3 -  7dA H2
 7.8   20.0  31.7    45.2   0.250  0.290   5dT H3 - 16dA H2
 6.6   11.5  15.6    24.1   0.280  0.320  17dT H3 -  4dA H2
 1.4    3.0   2.8     9.9   0.360  0.440  17dT H3 - 18dA H2
 0.7    1.2   3.8     6.1   0.360  0.440  13dG H1 -  7dA H2
 0.9    2.4   6.4    11.1   0.320  0.400  19dG H1 - 20dA H2
 0.9    2.4   1.7     5.3   0.380  0.460  19dG H1 - 18dA H2

 5.8    9.7  12.0    14.3   0.230  0.270  15dG H1 -  6dC 4a
 0.0    0.0   1.4     2.0   0.380  0.440   3dT H3 -  2dC 4a
 0.0    0.7   1.0     1.7   0.370  0.430  14dT H3 -  6dC 4a
 0.0    1.1   1.7     1.2   0.340  0.400  14dT H3 -  8dC 4a
 1.1    2.3   2.5     3.9   0.320  0.400   5dT H3 -  6dC 4a
 0.0    1.40  2.1     2.8   0.330  0.390  12dG H1 -  8dC 4a
 5.0    9.0  10.2    13.8   0.230  0.270  12dG H1 -  9dC 4a
 0.6    0.8   0.8     1.2   0.380  0.440  13dG H1 -  9dC 4a
 3.2    6.8   9.5    13.5   0.240  0.280  13dG H1 -  8dC 4a
 3.4    6.9  13.2    13.5   0.230  0.270  19dG H1 -  2dC 4a

C.  Dihedral Angle restraints (upper and lower bounds)             
                      
Residue    v0       v1        v2        v3        v4
  all  -35  -15  -35   27  -35  -09  -13   25  -05   30

         alpha     beta       delta    epsilon   zeta
  allf -90  -30  135  -145   30   90  140  -60  150  -45

D.  Major Groove distance restraints (nm.)          
                      
 4dA C1' - 19dG C1'  > 0.70   5dT C1' - 19dG C1'  > 0.80
 6dC C1' - 18dA C1'  > 0.80   7dA C1' - 17dT C1'  > 0.80
 7dA C1' - 18dA C1'  > 1.10   8dC C1' - 16dA C1'  > 0.80

aThe absence of an entry indicates that no distance estimate
 was made, or that the NOE intensity was not tabulated. NOE
 intensities and distances were not used for 5' and 5" protons
 because they were not assigned stereospecifically,  and
 because the ratio of J5'5" to the difference in chemical
 shifts is often not small, leading to second order effects.
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.
eThe one-dimensional difference NOEs are in percentage of the
 height of the irradiated imino peak. Imino-imino(i,j) NOE
 intensities are an average of the NOE observed on j while
 irradiating i, and the NOE observed on i, when irradiating j.
fwhere applicable. For example, residue 1 has no 5' phosphate,
 and therefore, no corresponding alpha angle.

*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*    T   1            HO      T     1   1.210   3.540  15.120
    2   1H5*    T   1          H51*      T     1   1.690   4.520  17.450
    3   2H5*    T   1          H52*      T     1   2.050   5.870  16.390
    4    H4*    T   1           H4*      T     1   4.060   4.550  16.800
    5    H3*    T   1           H3*      T     1   3.230   5.370  14.310
    6   1H2*    T   1          H21*      T     1   2.450   3.220  13.550
    7   2H2*    T   1          H22*      T     1   4.160   3.120  13.090
    8    H1*    T   1           H1*      T     1   4.730   1.910  15.010
    9    H3     T   1            H3      T     1   3.230  -2.220  13.930
   10   1H5M    T   1           H71      T     1  -1.140  -0.370  13.460
   11   2H5M    T   1           H72      T     1  -1.170  -0.650  15.230
   12   3H5M    T   1           H73      T     1  -1.030   1.010  14.580
   13    H6     T   1            H6      T     1   0.990   1.940  14.800
   14   1H5*    C   2          H51*      C     2   7.150   2.830  14.190
   15   2H5*    C   2          H52*      C     2   8.340   3.840  13.380
   16    H4*    C   2           H4*      C     2   8.630   1.510  12.730
   17    H3*    C   2           H3*      C     2   8.210   3.640  10.880
   18   1H2*    C   2          H21*      C     2   6.260   2.780   9.910
   19   2H2*    C   2          H22*      C     2   7.400   1.740   9.070
   20    H1*    C   2           H1*      C     2   7.120  -0.030  10.600
   21   1H4     C   2           H41      C     2   1.000  -1.600  10.890
   22   2H4     C   2           H42      C     2   0.510  -0.020  11.090
   23    H5     C   2            H5      C     2   2.010   1.820  11.100
   24    H6     C   2            H6      C     2   4.350   2.490  11.060
   25   1H5*    T   3          H51*      T     3   9.780  -0.400   9.620
   26   2H5*    T   3          H52*      T     3  11.070  -0.330   8.440
   27    H4*    T   3           H4*      T     3   9.580  -2.190   7.940
   28    H3*    T   3           H3*      T     3  10.060   0.020   6.090
   29   1H2*    T   3          H21*      T     3   7.830   0.240   5.470
   30   2H2*    T   3          H22*      T     3   8.050  -1.360   4.720
   31    H1*    T   3           H1*      T     3   7.220  -2.500   6.570
   32    H3     T   3            H3      T     3   2.780  -2.120   6.830
   33   1H5M    T   3           H71      T     3   3.210   2.580   6.540
   34   2H5M    T   3           H72      T     3   3.570   2.470   8.280
   35   3H5M    T   3           H73      T     3   4.890   2.800   7.120
   36    H6     T   3            H6      T     3   6.280   1.170   6.890
   37   1H5*    A   4          H51*      A     4   9.450  -4.360   4.890
   38   2H5*    A   4          H52*      A     4  10.350  -4.830   3.450
   39    H4*    A   4           H4*      A     4   8.130  -5.900   3.540
   40    H3*    A   4           H3*      A     4   9.200  -4.440   1.320
   41   1H2*    A   4          H21*      A     4   7.490  -2.930   1.100
   42   2H2*    A   4          H22*      A     4   6.620  -4.300   0.420
   43    H1*    A   4           H1*      A     4   5.560  -4.830   2.440
   44    H8     A   4            H8      A     4   6.820  -1.140   2.430
   45   1H6     A   4           H61      A     4   2.810   0.750   4.120
   46   2H6     A   4           H62      A     4   1.260   0.230   4.410
   47    H2     A   4            H2      A     4   1.220  -4.180   3.430
   48   1H5*    T   5          H51*      T     5   5.910  -7.500   1.280
   49   2H5*    T   5          H52*      T     5   5.870  -8.590  -0.090
   50    H4*    T   5           H4*      T     5   3.610  -8.030   0.710
   51    H3*    T   5           H3*      T     5   4.520  -7.790  -2.010
   52   1H2*    T   5          H21*      T     5   3.950  -5.550  -2.240
   53   2H2*    T   5          H22*      T     5   2.290  -6.200  -2.370
   54    H1*    T   5           H1*      T     5   1.850  -5.890  -0.090
   55    H3     T   5            H3      T     5   0.880  -1.570   0.570
   56   1H5M    T   5           H71      T     5   4.900  -0.400  -1.650
   57   2H5M    T   5           H72      T     5   5.640  -0.720  -0.060
   58   3H5M    T   5           H73      T     5   5.850  -1.900  -1.390
   59    H6     T   5            H6      T     5   4.800  -3.720  -1.170
   60   1H5*    C   6          H51*      C     6   0.090  -8.390  -0.710
   61   2H5*    C   6          H52*      C     6  -0.770  -9.440  -1.830
   62    H4*    C   6           H4*      C     6  -2.220  -7.640  -0.930
   63    H3*    C   6           H3*      C     6  -1.820  -8.240  -3.730
   64   1H2*    C   6          H21*      C     6  -1.230  -6.100  -4.350
   65   2H2*    C   6          H22*      C     6  -2.980  -5.800  -4.140
   66    H1*    C   6           H1*      C     6  -2.670  -4.960  -1.940
   67   1H4     C   6           H41      C     6   1.180   0.030  -2.520
   68   2H4     C   6           H42      C     6   2.320  -0.820  -3.380
   69    H5     C   6            H5      C     6   2.060  -3.100  -3.980
   70    H6     C   6            H6      C     6   0.640  -5.120  -3.740
   71   1H5*    A   7          H51*      A     7  -5.740  -6.110  -2.320
   72   2H5*    A   7          H52*      A     7  -7.100  -6.660  -3.280
   73    H4*    A   7           H4*      A     7  -7.270  -4.270  -2.880
   74    H3*    A   7           H3*      A     7  -7.190  -5.430  -5.520
   75   1H2*    A   7          H21*      A     7  -5.500  -4.030  -6.330
   76   2H2*    A   7          H22*      A     7  -6.770  -2.820  -6.300
   77    H1*    A   7           H1*      A     7  -6.170  -1.990  -4.220
   78    H8     A   7            H8      A     7  -3.240  -3.890  -5.920
   79   1H6     A   7           H61      A     7  -0.030  -0.410  -5.430
   80   2H6     A   7           H62      A     7  -0.060   1.200  -5.030
   81    H2     A   7            H2      A     7  -4.330   2.100  -3.850
   82   1H5*    C   8          H51*      C     8  -9.410  -1.470  -4.310
   83   2H5*    C   8          H52*      C     8 -10.900  -1.310  -5.220
   84    H4*    C   8           H4*      C     8  -9.860   0.880  -4.730
   85    H3*    C   8           H3*      C     8 -10.810   0.030  -7.260
   86   1H2*    C   8          H21*      C     8  -8.710  -0.010  -8.330
   87   2H2*    C   8          H22*      C     8  -9.020   1.740  -8.450
   88    H1*    C   8           H1*      C     8  -7.840   2.260  -6.550
   89   1H4     C   8           H41      C     8  -1.890   0.670  -8.110
   90   2H4     C   8           H42      C     8  -2.330  -0.850  -8.610
   91    H5     C   8            H5      C     8  -4.570  -1.640  -8.560
   92    H6     C   8            H6      C     8  -6.880  -1.110  -7.970
   93   1H5*    C   9          H51*      C     9  -9.420   4.230  -6.370
   94   2H5*    C   9          H52*      C     9 -10.470   5.490  -7.020
   95    H4*    C   9           H4*      C     9  -8.110   6.160  -7.120
   96    H3*    C   9           H3*      C     9  -9.880   6.050  -9.420
   97   1H2*    C   9          H21*      C     9  -8.380   4.890 -10.760
   98   2H2*    C   9          H22*      C     9  -7.460   6.450 -10.760
   99    H1*    C   9           H1*      C     9  -6.140   5.870  -9.030
  100   1H4     C   9           H41      C     9  -2.630   1.100 -11.170
  101   2H4     C   9           H42      C     9  -3.950   0.160 -11.560
  102    H5     C   9            H5      C     9  -6.190   0.890 -11.250
  103    H6     C   9            H6      C     9  -7.650   2.690 -10.380
  104   1H5*    G  10          H51*      G    10  -6.310   9.350  -9.500
  105   2H5*    G  10          H52*      G    10  -6.990  10.730 -10.350
  106    H4*    G  10           H4*      G    10  -4.800  10.340 -11.220
  107    H3*    G  10           H3*      G    10  -7.120   9.810 -12.940
  108   1H2*    G  10          H21*      G    10  -6.020   8.180 -14.230
  109   2H2*    G  10          H22*      G    10  -4.730   9.300 -14.510
  110    H1*    G  10           H1*      G    10  -3.440   8.570 -12.880
  111    H8     G  10            H8      G    10  -6.410   6.090 -13.040
  112    H1     G  10            H1      G    10  -0.590   3.550 -14.080
  113   1H2     G  10           H21      G    10   0.960   5.340 -14.030
  114   2H2     G  10           H22      G    10   0.450   6.890 -13.730
  115    H3*    G  10            HO      G    10  -5.040  11.730 -12.810
  116    H5*    C  11            HO      C    11   6.310  -0.850 -14.340
  117   1H5*    C  11          H51*      C    11   6.620  -0.140 -17.090
  118   2H5*    C  11          H52*      C    11   7.940  -0.090 -15.920
  119    H4*    C  11           H4*      C    11   6.820   2.120 -16.250
  120    H3*    C  11           H3*      C    11   7.480   0.870 -13.760
  121   1H2*    C  11          H21*      C    11   5.290   0.740 -12.940
  122   2H2*    C  11          H22*      C    11   5.560   2.490 -12.630
  123    H1*    C  11           H1*      C    11   4.540   3.160 -14.560
  124   1H4     C  11           H41      C    11  -1.440   1.180 -13.870
  125   2H4     C  11           H42      C    11  -0.980  -0.400 -13.640
  126    H5     C  11            H5      C    11   1.280  -1.120 -13.640
  127    H6     C  11            H6      C    11   3.620  -0.450 -13.940
  128   1H5*    G  12          H51*      G    12   6.450   5.490 -13.710
  129   2H5*    G  12          H52*      G    12   7.630   6.260 -12.660
  130    H4*    G  12           H4*      G    12   5.460   7.260 -12.300
  131    H3*    G  12           H3*      G    12   7.000   6.130 -10.230
  132   1H2*    G  12          H21*      G    12   5.430   4.440  -9.670
  133   2H2*    G  12          H22*      G    12   4.720   5.780  -8.760
  134    H1*    G  12           H1*      G    12   3.240   6.340 -10.560
  135    H8     G  12            H8      G    12   4.310   2.600 -10.590
  136    H1     G  12            H1      G    12  -2.000   3.840 -10.560
  137   1H2     G  12           H21      G    12  -2.240   6.170 -10.210
  138   2H2     G  12           H22      G    12  -0.890   7.140 -10.090
  139   1H5*    G  13          H51*      G    13   3.520   9.310  -9.530
  140   2H5*    G  13          H52*      G    13   4.130  10.410  -8.300
  141    H4*    G  13           H4*      G    13   1.710  10.250  -8.130
  142    H3*    G  13           H3*      G    13   3.500   9.600  -5.980
  143   1H2*    G  13          H21*      G    13   2.640   7.520  -5.500
  144   2H2*    G  13          H22*      G    13   1.270   8.400  -4.860
  145    H1*    G  13           H1*      G    13   0.010   8.170  -6.770
  146    H8     G  13            H8      G    13   2.950   5.680  -7.120
  147    H1     G  13            H1      G    13  -2.940   3.090  -7.230
  148   1H2     G  13           H21      G    13  -4.470   4.800  -6.690
  149   2H2     G  13           H22      G    13  -3.950   6.340  -6.380
  150   1H5*    T  14          H51*      T    14  -0.790  10.530  -5.310
  151   2H5*    T  14          H52*      T    14  -1.180  11.500  -3.900
  152    H4*    T  14           H4*      T    14  -2.730   9.620  -4.090
  153    H3*    T  14           H3*      T    14  -0.970  10.060  -1.790
  154   1H2*    T  14          H21*      T    14  -0.450   7.830  -1.530
  155   2H2*    T  14          H22*      T    14  -2.170   7.620  -1.120
  156    H1*    T  14           H1*      T    14  -2.750   7.000  -3.260
  157    H3     T  14            H3      T    14  -1.310   2.860  -4.190
  158   1H5M    T  14           H71      T    14   3.030   4.090  -2.720
  159   2H5M    T  14           H72      T    14   3.160   4.770  -4.360
  160   3H5M    T  14           H73      T    14   2.960   5.860  -2.950
  161    H6     T  14            H6      T    14   1.010   6.830  -2.820
  162   1H5*    G  15          H51*      G    15  -5.150   8.290  -1.400
  163   2H5*    G  15          H52*      G    15  -5.970   8.840   0.050
  164    H4*    G  15           H4*      G    15  -6.430   6.500  -0.300
  165    H3*    G  15           H3*      G    15  -5.170   7.520   2.070
  166   1H2*    G  15          H21*      G    15  -3.390   6.020   2.060
  167   2H2*    G  15          H22*      G    15  -4.610   4.870   2.570
  168    H1*    G  15           H1*      G    15  -5.000   4.090   0.370
  169    H8     G  15            H8      G    15  -1.500   5.790   0.670
  170    H1     G  15            H1      G    15  -1.580  -0.220  -1.590
  171   1H2     G  15           H21      G    15  -3.770  -1.050  -1.260
  172   2H2     G  15           H22      G    15  -4.960  -0.070  -0.630
  173   1H5*    A  16          H51*      A    16  -7.590   3.710   1.590
  174   2H5*    A  16          H52*      A    16  -8.710   3.470   2.920
  175    H4*    A  16           H4*      A    16  -7.930   1.320   2.090
  176    H3*    A  16           H3*      A    16  -7.590   2.230   4.810
  177   1H2*    A  16          H21*      A    16  -5.400   1.760   5.000
  178   2H2*    A  16          H22*      A    16  -5.900   0.070   4.990
  179    H1*    A  16           H1*      A    16  -5.480  -0.210   2.720
  180    H8     A  16            H8      A    16  -3.690   3.000   3.960
  181   1H6     A  16           H61      A    16   0.540   1.970   2.060
  182   2H6     A  16           H62      A    16   1.280   0.620   1.420
  183    H2     A  16            H2      A    16  -1.880  -2.600   1.340
  184   1H5*    T  17          H51*      T    17  -7.790  -2.090   3.610
  185   2H5*    T  17          H52*      T    17  -8.640  -3.150   4.720
  186    H4*    T  17           H4*      T    17  -6.590  -4.230   3.870
  187    H3*    T  17           H3*      T    17  -7.130  -3.730   6.710
  188   1H2*    T  17          H21*      T    17  -5.070  -3.050   7.200
  189   2H2*    T  17          H22*      T    17  -4.570  -4.770   6.830
  190    H1*    T  17           H1*      T    17  -3.920  -4.210   4.670
  191    H3     T  17            H3      T    17  -0.080  -1.870   4.750
  192   1H5M    T  17           H71      T    17  -2.090   1.170   7.790
  193   2H5M    T  17           H72      T    17  -2.780   1.880   6.300
  194   3H5M    T  17           H73      T    17  -3.820   0.910   7.380
  195    H6     T  17            H6      T    17  -4.400  -1.000   6.650
  196   1H5*    A  18          H51*      A    18  -5.310  -7.510   4.970
  197   2H5*    A  18          H52*      A    18  -5.660  -9.000   5.850
  198    H4*    A  18           H4*      A    18  -3.340  -8.920   4.920
  199    H3*    A  18           H3*      A    18  -4.120  -9.670   7.550
  200   1H2*    A  18          H21*      A    18  -2.970  -8.060   8.710
  201   2H2*    A  18          H22*      A    18  -1.590  -9.050   8.360
  202    H1*    A  18           H1*      A    18  -0.930  -7.780   6.500
  203    H8     A  18            H8      A    18  -3.300  -5.780   8.860
  204   1H6     A  18           H61      A    18  -0.780  -1.730   8.780
  205   2H6     A  18           H62      A    18   0.690  -1.240   8.170
  206    H2     A  18            H2      A    18   2.440  -4.830   6.090
  207   1H5*    G  19          H51*      G    19   0.060 -10.630   5.910
  208   2H5*    G  19          H52*      G    19   0.690 -12.190   6.450
  209    H4*    G  19           H4*      G    19   2.440 -10.490   6.440
  210    H3*    G  19           H3*      G    19   1.750 -12.100   8.690
  211   1H2*    G  19          H21*      G    19   1.360 -10.320  10.160
  212   2H2*    G  19          H22*      G    19   3.110 -10.230  10.190
  213    H1*    G  19           H1*      G    19   3.210  -8.600   8.500
  214    H8     G  19            H8      G    19  -0.150  -8.540  10.470
  215    H1     G  19            H1      G    19   3.190  -3.060  10.240
  216   1H2     G  19           H21      G    19   5.220  -3.530   9.110
  217   2H2     G  19           H22      G    19   5.510  -5.050   8.490
  218   1H5*    A  20          H51*      A    20   6.110 -10.390   7.920
  219   2H5*    A  20          H52*      A    20   7.370 -11.330   8.720
  220    H4*    A  20           H4*      A    20   7.790  -8.890   8.880
  221    H3*    A  20           H3*      A    20   7.570 -10.710  11.170
  222   1H2*    A  20          H21*      A    20   6.500  -9.130  12.550
  223   2H2*    A  20          H22*      A    20   7.960  -8.110  12.340
  224    H1*    A  20           H1*      A    20   6.960  -6.870  10.720
  225    H8     A  20            H8      A    20   4.220  -9.230  11.960
  226   1H6     A  20           H61      A    20   1.470  -5.930  14.080
  227   2H6     A  20           H62      A    20   1.660  -4.340  14.520
  228    H2     A  20            H2      A    20   5.690  -3.060  12.940
  229    H3*    A  20            HO      A    20   9.690 -10.040  10.150
   
  No H/Q in entry =         229