*HEADER    DNA                                     16-JAN-03   1NOQ              
*TITLE     E-MOTIF STRUCTURE                                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*CP*GP*CP*CP*G)-3';                                
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS FOUND IN CCG AND/OR CGG              
*SOURCE   4 TRIPLET REPEAT EXPANSION IN THE 5'-UNTRANSLATED REGION OF            
*SOURCE   5 FMR1 GENE OF FRAGILE X SYNDROME.                                     
*KEYWDS    E-MOTIF, (CCG)2 DNA DUPLEX                                            
*EXPDTA    NMR, 6 STRUCTURES                                                     
*AUTHOR    M.ZHENG, X.HUANG, G.K.SMITH, X.YANG, X.GAO                            
*REVDAT   1   11-FEB-03 1NOQ    0                                                

remark from NOEs of exchangeable protons from 100&200 ms
remark FOR H-Bond restraints

assign (resid 102 and name O2  ) (resid 104 and name H41 )   1.9   0.2   0.05
assign (resid   2 and name O2  ) (resid   4 and name H41 )   1.9   0.2   0.05

assign (resid   6 and name H1  ) (resid 101 and name H6  )   3.5   1.4   1.5
assign (resid   6 and name H1  ) (resid 101 and name H5  )   3.7   1.4   1.3
assign (resid   3 and name H1  ) (resid 106 and name H1  )   3.7   1.4   1.3
assign (resid   5 and name H42 ) (resid   3 and name H1' )   3.0   1.4   1.3
assign (resid   5 and name H42 ) (resid   3 and name H2' )   3.7   1.4   1.3
assign (resid   5 and name H42 ) (resid   3 and name H2'')   3.2   1.4   1.3
assign (resid   4 and name H41 ) (resid   1 and name H1' )   3.7   1.4   1.3
assign (resid   4 and name H41 ) (resid   1 and name H2'')   3.6   1.4   1.3
assign (resid   4 and name H41 ) (resid   2 and name H1' )   3.3   1.4   1.3
assign (resid   4 and name H41 ) (resid   2 and name H5* )   3.5   1.4   1.3
assign (resid   4 and name H42 ) (resid   1 and name H2'')   3.8   1.4   1.3
assign (resid   4 and name H42 ) (resid   2 and name H5'')   3.8   1.4   1.3
assign (resid   2 and name H42 ) (resid   1 and name H5  )   3.8   1.4   1.3

assign (resid 106 and name H1  ) (resid   1 and name H6  )   3.5   1.4   1.5
assign (resid 106 and name H1  ) (resid   1 and name H5  )   3.7   1.4   1.3
assign (resid 103 and name H1  ) (resid   6 and name H1  )   3.7   1.4   1.3
assign (resid 105 and name H42 ) (resid 103 and name H1' )   3.0   1.4   1.3
assign (resid 105 and name H42 ) (resid 103 and name H2' )   3.7   1.4   1.3
assign (resid 105 and name H42 ) (resid 103 and name H2'')   3.2   1.4   1.3
assign (resid 104 and name H41 ) (resid 101 and name H1' )   3.7   1.4   1.3
assign (resid 104 and name H41 ) (resid 101 and name H2'')   3.6   1.4   1.3
assign (resid 104 and name H41 ) (resid 102 and name H1' )   3.3   1.4   1.3
assign (resid 104 and name H41 ) (resid 102 and name H5* )   3.5   1.4   1.3
assign (resid 104 and name H42 ) (resid 101 and name H2'')   3.8   1.4   1.3
assign (resid 104 and name H42 ) (resid 102 and name H5'')   3.8   1.4   1.3
assign (resid 102 and name H42 ) (resid 101 and name H5  )   3.8   1.4   1.3

assign (resid   3 and name  H1 ) (resid 103 and name H1' )  3.00  0.50  1.20
assign (resid 103 and name  H1 ) (resid   3 and name H1' )  3.00  0.50  1.20

assign (resid 105 and name  H42) (resid 103 and name H1' )  2.70  0.50  1.00
assign (resid   5 and name  H42) (resid   3 and name H1' )  2.70  0.50  1.00

remark From intra-residue NOE

assign (resid   1 and name  H2' ) (resid   1 and name   H6)  2.600 0.489 0.010
assign (resid   1 and name  H2' ) (resid   1 and name  H1')  2.600 0.010 0.490
assign (resid   1 and name H2'' ) (resid   1 and name   H6)  2.900 0.510 0.217
assign (resid   1 and name H2'' ) (resid   1 and name  H1')  2.300 0.246 0.082
assign (resid   1 and name  H4' ) (resid   1 and name  H1')  3.000 0.010 0.825
assign (resid   1 and name  H1' ) (resid   1 and name   H6)  3.000 0.010 0.817
assign (resid   1 and name  H2' ) (resid   1 and name  H3')  2.400 0.057 0.297
assign (resid   1 and name H2'' ) (resid   1 and name  H3')  2.300 0.010 0.584
assign (resid   1 and name  H2' ) (resid   1 and name   H5)  4.100 0.010 0.713
assign (resid   1 and name H2'' ) (resid   1 and name   H5)  3.700 0.010 2.081
assign (resid   1 and name  H4' ) (resid   1 and name   H6)  5.500 0.558 0.510
assign (resid   1 and name  H3' ) (resid   1 and name   H6)  4.300 0.539 0.246
assign (resid   1 and name  H2' ) (resid   1 and name  H4')  3.000 0.010 0.957
assign (resid   1 and name  H3' ) (resid   1 and name  H1')  3.100 0.010 0.833
assign (resid   1 and name H2'' ) (resid   1 and name  H4')  3.100 0.010 1.172
assign (resid   2 and name H2'' ) (resid   2 and name   H6)  2.300 0.211 0.211
assign (resid   2 and name  H2' ) (resid   2 and name   H6)  2.100 0.165 0.209
assign (resid   2 and name  H2' ) (resid   2 and name   H5)  2.800 0.010 1.371
assign (resid   2 and name  H3' ) (resid   2 and name   H6)  2.800 0.010 1.410
assign (resid   2 and name  H2' ) (resid   2 and name  H3')  2.300 0.273 0.572
assign (resid   2 and name  H4' ) (resid   2 and name  H3')  2.500 0.058 0.670
assign (resid   2 and name H2'' ) (resid   2 and name   H5)  3.300 0.010 1.379
assign (resid   2 and name  H4' ) (resid   2 and name   H6)  5.500 0.641 0.010
assign (resid   2 and name  H1' ) (resid   2 and name   H6)  3.300 0.312 0.315
assign (resid   2 and name  H3' ) (resid   2 and name   H5)  4.100 0.010 2.100
assign (resid   2 and name H2'' ) (resid   2 and name  H4')  3.300 0.010 0.966
assign (resid   2 and name  H2' ) (resid   2 and name  H4')  3.200 0.010 0.818
assign (resid   2 and name  H4' ) (resid   2 and name  H1')  2.500 0.010 0.769
assign (resid   3 and name H2'' ) (resid   3 and name   H8)  2.200 0.107 0.334
assign (resid   3 and name H2'' ) (resid   3 and name  H1')  2.300 0.310 0.178
assign (resid   3 and name  H2' ) (resid   3 and name   H8)  2.400 0.110 0.400
assign (resid   3 and name  H2' ) (resid   3 and name  H1')  2.600 0.309 0.534
assign (resid   3 and name  H4' ) (resid   3 and name  H1')  3.200 0.289 0.566
assign (resid   3 and name  H3' ) (resid   3 and name   H8)  3.000 0.010 1.436
assign (resid   3 and name  H3' ) (resid   3 and name  H1')  3.100 0.010 0.869
assign (resid   3 and name  H1' ) (resid   3 and name   H8)  2.900 0.010 0.995
assign (resid   3 and name H2'' ) (resid   3 and name  H3')  2.400 0.117 0.363
assign (resid   3 and name  H2' ) (resid   3 and name  H3')  2.400 0.017 0.474
assign (resid   3 and name  H4' ) (resid   3 and name  H3')  2.500 0.010 0.473
assign (resid   3 and name  H4' ) (resid   3 and name   H8)  5.500 1.082 0.010
assign (resid   3 and name  H2' ) (resid   3 and name  H4')  3.400 0.010 1.028
assign (resid   3 and name H2'' ) (resid   3 and name  H4')  3.100 0.010 0.995
assign (resid   4 and name  H2' ) (resid   4 and name  H1')  2.800 0.127 0.487
assign (resid   4 and name  H2' ) (resid   4 and name   H6)  2.500 0.287 0.308
assign (resid   4 and name  H3' ) (resid   4 and name   H6)  3.400 0.010 1.302
assign (resid   4 and name  H4' ) (resid   4 and name  H1')  2.800 0.184 0.359
assign (resid   4 and name  H1' ) (resid   4 and name   H6)  3.300 0.010 0.638
assign (resid   4 and name  H2' ) (resid   4 and name  H4')  3.000 0.010 0.999
assign (resid   4 and name H2'' ) (resid   4 and name  H3')  2.400 0.010 0.530
assign (resid   4 and name  H2' ) (resid   4 and name  H3')  2.500 0.182 0.251
assign (resid   4 and name H2'' ) (resid   4 and name   H6)  2.500 0.010 1.221
assign (resid   4 and name H2'' ) (resid   4 and name  H1')  2.400 0.168 0.382
assign (resid   4 and name  H3' ) (resid   4 and name  H1')  3.400 0.148 0.453
assign (resid   4 and name H2'' ) (resid   4 and name   H5)  3.600 0.010 1.800
assign (resid   4 and name  H2' ) (resid   4 and name   H5)  3.400 0.010 1.374
assign (resid   4 and name  H4' ) (resid   4 and name   H6)  4.200 0.010 0.846
assign (resid   4 and name   H5 ) (resid   4 and name  H1')  5.500 0.602 0.010
assign (resid   5 and name  H2' ) (resid   5 and name   H6)  2.200 0.010 0.720
assign (resid   5 and name  H2' ) (resid   5 and name  H1')  2.700 0.381 0.066
assign (resid   5 and name H2'' ) (resid   5 and name   H6)  2.400 0.481 0.010
assign (resid   5 and name H2'' ) (resid   5 and name  H1')  2.300 0.010 0.853
assign (resid   5 and name  H4' ) (resid   5 and name  H1')  3.000 0.038 0.501
assign (resid   5 and name  H3' ) (resid   5 and name   H6)  3.000 0.010 1.352
assign (resid   5 and name  H1' ) (resid   5 and name   H6)  3.300 0.085 0.561
assign (resid   5 and name  H2' ) (resid   5 and name  H3')  2.300 0.010 0.593
assign (resid   5 and name H2'' ) (resid   5 and name  H3')  2.500 0.269 0.112
assign (resid   5 and name  H4' ) (resid   5 and name  H3')  2.400 0.010 0.516
assign (resid   5 and name  H3' ) (resid   5 and name  H1')  3.400 0.010 0.615
assign (resid   5 and name  H2' ) (resid   5 and name   H5)  3.100 0.010 1.600
assign (resid   5 and name H2'' ) (resid   5 and name   H5)  3.600 0.010 0.883
assign (resid   5 and name  H3' ) (resid   5 and name   H5)  5.500 0.010 1.186
assign (resid   5 and name  H1' ) (resid   5 and name   H5)  5.500 0.709 0.010
assign (resid   5 and name  H2' ) (resid   5 and name  H4')  3.100 0.010 1.171
assign (resid   5 and name H2'' ) (resid   5 and name  H4')  3.000 0.010 0.886
assign (resid   6 and name H2'' ) (resid   6 and name  H1')  2.200 0.005 0.534
assign (resid   6 and name H2'' ) (resid   6 and name   H8)  2.400 0.010 1.800
assign (resid   6 and name  H2' ) (resid   6 and name   H8)  2.100 0.010 0.922
assign (resid   6 and name  H2' ) (resid   6 and name  H1')  2.500 0.010 0.752
assign (resid   6 and name  H4' ) (resid   6 and name  H1')  3.000 0.064 0.713
assign (resid   6 and name  H3' ) (resid   6 and name  H1')  3.300 0.010 0.760
assign (resid   6 and name  H1' ) (resid   6 and name   H8)  3.100 0.010 0.891
assign (resid   6 and name H2'' ) (resid   6 and name  H3')  2.400 0.010 0.500
assign (resid   6 and name H2'' ) (resid   6 and name  H2')  1.900 0.187 0.064
assign (resid   6 and name  H2' ) (resid   6 and name  H3')  2.400 0.140 0.320
assign (resid   6 and name  H4' ) (resid   6 and name  H3')  2.500 0.010 0.478
assign (resid   6 and name H2'' ) (resid   6 and name  H4')  3.100 0.010 1.200
assign (resid   6 and name  H2' ) (resid   6 and name  H4')  3.300 0.010 0.843
assign (resid 101 and name  H2' ) (resid 101 and name   H6)  2.600 0.566 0.209
assign (resid 101 and name  H2' ) (resid 101 and name  H1')  2.600 0.330 0.574
assign (resid 101 and name H2'' ) (resid 101 and name   H6)  2.900 0.561 0.228
assign (resid 101 and name H2'' ) (resid 101 and name  H1')  2.300 0.358 0.435
assign (resid 101 and name  H4' ) (resid 101 and name  H1')  3.000 0.010 0.859
assign (resid 101 and name  H1' ) (resid 101 and name   H6)  3.000 0.206 1.020
assign (resid 101 and name  H2' ) (resid 101 and name  H3')  2.400 0.107 0.557
assign (resid 101 and name H2'' ) (resid 101 and name  H3')  2.300 0.010 0.643
assign (resid 101 and name  H2' ) (resid 101 and name   H5)  4.100 0.010 1.279
assign (resid 101 and name H2'' ) (resid 101 and name   H5)  3.700 0.010 2.200
assign (resid 101 and name  H4' ) (resid 101 and name   H6)  5.500 0.817 0.310
assign (resid 101 and name  H3' ) (resid 101 and name   H6)  4.300 0.525 0.525
assign (resid 101 and name  H2' ) (resid 101 and name  H4')  3.000 0.010 1.171
assign (resid 101 and name  H3' ) (resid 101 and name  H1')  3.100 0.075 0.906
assign (resid 101 and name H2'' ) (resid 101 and name  H4')  3.100 0.010 1.188
assign (resid 102 and name H2'' ) (resid 102 and name   H6)  2.300 0.149 0.467
assign (resid 102 and name  H2' ) (resid 102 and name   H6)  2.100 0.207 0.150
assign (resid 102 and name  H2' ) (resid 102 and name   H5)  2.800 0.010 1.325
assign (resid 102 and name  H3' ) (resid 102 and name   H6)  2.800 0.010 1.424
assign (resid 102 and name  H2' ) (resid 102 and name  H3')  2.300 0.161 0.176
assign (resid 102 and name  H4' ) (resid 102 and name  H3')  2.500 0.010 0.568
assign (resid 102 and name H2'' ) (resid 102 and name   H5)  3.300 0.010 1.558
assign (resid 102 and name  H4' ) (resid 102 and name   H6)  5.500 0.752 0.010
assign (resid 102 and name  H1' ) (resid 102 and name   H6)  3.300 0.267 0.392
assign (resid 102 and name  H3' ) (resid 102 and name   H5)  4.100 0.010 2.100
assign (resid 102 and name H2'' ) (resid 102 and name  H4')  3.300 0.010 0.944
assign (resid 102 and name  H2' ) (resid 102 and name  H4')  3.200 0.010 0.807
assign (resid 102 and name  H4' ) (resid 102 and name  H1')  2.500 0.010 0.869
assign (resid 103 and name H2'' ) (resid 103 and name   H8)  2.200 0.115 0.445
assign (resid 103 and name H2'' ) (resid 103 and name  H1')  2.300 0.310 0.128
assign (resid 103 and name  H2' ) (resid 103 and name   H8)  2.400 0.128 0.400
assign (resid 103 and name  H2' ) (resid 103 and name  H1')  2.600 0.138 0.590
assign (resid 103 and name  H4' ) (resid 103 and name  H1')  3.200 0.245 0.637
assign (resid 103 and name  H3' ) (resid 103 and name   H8)  3.000 0.010 1.372
assign (resid 103 and name  H3' ) (resid 103 and name  H1')  3.100 0.010 1.036
assign (resid 103 and name  H1' ) (resid 103 and name   H8)  2.900 0.010 1.011
assign (resid 103 and name H2'' ) (resid 103 and name  H3')  2.400 0.106 0.433
assign (resid 103 and name  H2' ) (resid 103 and name  H3')  2.400 0.078 0.511
assign (resid 103 and name  H4' ) (resid 103 and name  H3')  2.500 0.010 0.485
assign (resid 103 and name  H4' ) (resid 103 and name   H8)  5.500 1.168 0.010
assign (resid 103 and name  H2' ) (resid 103 and name  H4')  3.400 0.010 0.957
assign (resid 103 and name H2'' ) (resid 103 and name  H4')  3.100 0.010 1.177
assign (resid 104 and name  H2' ) (resid 104 and name  H1')  2.800 0.281 0.528
assign (resid 104 and name  H2' ) (resid 104 and name   H6)  2.500 0.323 0.565
assign (resid 104 and name  H3' ) (resid 104 and name   H6)  3.400 0.010 1.172
assign (resid 104 and name  H4' ) (resid 104 and name  H1')  2.800 0.135 0.524
assign (resid 104 and name  H1' ) (resid 104 and name   H6)  3.300 0.010 0.626
assign (resid 104 and name  H2' ) (resid 104 and name  H4')  3.000 0.010 1.101
assign (resid 104 and name H2'' ) (resid 104 and name  H3')  2.400 0.010 0.550
assign (resid 104 and name  H2' ) (resid 104 and name  H3')  2.500 0.236 0.345
assign (resid 104 and name H2'' ) (resid 104 and name   H6)  2.500 0.010 1.288
assign (resid 104 and name H2'' ) (resid 104 and name  H1')  2.400 0.184 0.553
assign (resid 104 and name  H3' ) (resid 104 and name  H1')  3.400 0.110 0.558
assign (resid 104 and name H2'' ) (resid 104 and name   H5)  3.600 0.010 1.800
assign (resid 104 and name  H2' ) (resid 104 and name   H5)  3.400 0.010 1.449
assign (resid 104 and name  H4' ) (resid 104 and name   H6)  4.200 0.104 0.698
assign (resid 104 and name   H5 ) (resid 104 and name  H1')  5.500 0.593 0.010
assign (resid 105 and name  H2' ) (resid 105 and name   H6)  2.200 0.010 0.865
assign (resid 105 and name  H2' ) (resid 105 and name  H1')  2.700 0.485 0.332
assign (resid 105 and name H2'' ) (resid 105 and name   H6)  2.400 0.591 0.251
assign (resid 105 and name H2'' ) (resid 105 and name  H1')  2.300 0.010 0.947
assign (resid 105 and name  H4' ) (resid 105 and name  H1')  3.000 0.068 0.490
assign (resid 105 and name  H3' ) (resid 105 and name   H6)  3.000 0.010 1.398
assign (resid 105 and name  H1' ) (resid 105 and name   H6)  3.300 0.050 0.577
assign (resid 105 and name  H2' ) (resid 105 and name  H3')  2.300 0.010 0.652
assign (resid 105 and name H2'' ) (resid 105 and name  H3')  2.500 0.313 0.284
assign (resid 105 and name  H4' ) (resid 105 and name  H3')  2.400 0.010 0.526
assign (resid 105 and name  H3' ) (resid 105 and name  H1')  3.400 0.036 0.602
assign (resid 105 and name  H2' ) (resid 105 and name   H5)  3.100 0.010 1.600
assign (resid 105 and name H2'' ) (resid 105 and name   H5)  3.600 0.010 1.158
assign (resid 105 and name  H3' ) (resid 105 and name   H5)  5.500 0.010 1.251
assign (resid 105 and name  H1' ) (resid 105 and name   H5)  5.500 0.687 0.010
assign (resid 105 and name  H2' ) (resid 105 and name  H4')  3.100 0.010 1.213
assign (resid 105 and name H2'' ) (resid 105 and name  H4')  3.000 0.010 1.090
assign (resid 106 and name H2'' ) (resid 106 and name  H1')  2.200 0.036 0.519
assign (resid 106 and name H2'' ) (resid 106 and name   H8)  2.400 0.010 1.800
assign (resid 106 and name  H2' ) (resid 106 and name   H8)  2.100 0.010 0.917
assign (resid 106 and name  H2' ) (resid 106 and name  H1')  2.500 0.010 0.741
assign (resid 106 and name  H4' ) (resid 106 and name  H1')  3.000 0.439 0.720
assign (resid 106 and name  H3' ) (resid 106 and name  H1')  3.300 0.029 0.918
assign (resid 106 and name  H1' ) (resid 106 and name   H8)  3.100 0.010 0.875
assign (resid 106 and name H2'' ) (resid 106 and name  H3')  2.400 0.010 0.634
assign (resid 106 and name H2'' ) (resid 106 and name  H2')  1.900 0.192 0.062
assign (resid 106 and name  H2' ) (resid 106 and name  H3')  2.400 0.261 0.380
assign (resid 106 and name  H4' ) (resid 106 and name  H3')  2.500 0.054 0.650
assign (resid 106 and name H2'' ) (resid 106 and name  H4')  3.100 0.010 1.020
assign (resid 106 and name  H2' ) (resid 106 and name  H4')  3.300 0.113 0.987

remark From inter-residue NOE

assign (resid   1 and name  H3' ) (resid   2 and name   H6)  4.000 0.520 0.290
assign (resid   1 and name  H2' ) (resid   2 and name   H6)  3.700 0.100 0.510
assign (resid   1 and name H2'' ) (resid   2 and name   H6)  3.700 0.167 0.584
assign (resid   1 and name  H2' ) (resid   2 and name   H5)  3.700 0.129 0.810
assign (resid   1 and name H2'' ) (resid   2 and name   H5)  3.700 0.310 0.480
assign (resid   1 and name  H1' ) (resid   2 and name H2'')  5.000 0.010 0.800
assign (resid   1 and name  H1' ) (resid   2 and name  H4')  5.500 1.341 0.510
assign (resid   1 and name  H3' ) (resid   2 and name   H5)  4.300 0.529 0.568
assign (resid   1 and name  H4' ) (resid   2 and name   H5)  5.500 0.510 1.200
assign (resid   1 and name  H2' ) (resid   2 and name  H3')  4.300 0.010 1.112
assign (resid   1 and name H2'' ) (resid   2 and name  H3')  3.500 0.010 0.743
assign (resid   1 and name  H3' ) (resid   2 and name H2'')  4.000 0.010 1.225
assign (resid   1 and name  H2' ) (resid   2 and name  H4')  3.900 0.010 1.600
assign (resid   1 and name H2'' ) (resid   2 and name  H4')  3.400 0.010 0.707
assign (resid   2 and name   H5 ) (resid   3 and name   H8)  4.200 0.010 1.147
assign (resid   2 and name  H1' ) (resid   3 and name   H8)  4.000 0.259 0.308
assign (resid   2 and name  H1' ) (resid   3 and name  H1')  4.100 0.146 0.676
assign (resid   2 and name  H2' ) (resid   3 and name   H8)  3.700 0.010 1.500
assign (resid   2 and name H2'' ) (resid   3 and name   H8)  3.700 0.100 0.416
assign (resid   2 and name  H1' ) (resid   3 and name H2'')  3.400 0.010 1.731
assign (resid   2 and name H2'' ) (resid   3 and name  H4')  5.500 1.325 0.010
assign (resid   3 and name  H4' ) (resid   4 and name   H6)  2.700 0.655 0.066
assign (resid   3 and name  H1' ) (resid   4 and name   H6)  3.100 0.391 0.164
assign (resid   3 and name H2'' ) (resid   4 and name   H6)  3.900 0.010 1.200
assign (resid   3 and name  H2' ) (resid   4 and name   H6)  4.300 0.010 0.670
assign (resid   3 and name H2'' ) (resid   4 and name   H5)  4.300 0.010 1.134
assign (resid   3 and name  H2' ) (resid   4 and name   H5)  5.500 0.545 0.100
assign (resid   3 and name  H3' ) (resid   4 and name   H6)  5.100 0.819 0.010
assign (resid   3 and name   H8 ) (resid   4 and name   H5)  4.100 0.010 1.055
assign (resid   3 and name  H4' ) (resid   4 and name   H5)  3.600 0.245 0.397
assign (resid   3 and name  H3' ) (resid   4 and name   H5)  4.700 0.010 1.189
assign (resid   3 and name  H1' ) (resid   4 and name   H5)  3.100 0.010 0.798
assign (resid   3 and name  H3' ) (resid   5 and name   H6)  4.600 0.010 1.921
assign (resid   4 and name  H3' ) (resid   5 and name   H6)  3.300 0.786 0.010
assign (resid   4 and name  H3' ) (resid   5 and name   H5)  3.700 0.451 0.082
assign (resid   4 and name H2'' ) (resid   5 and name   H5)  3.500 0.010 1.203
assign (resid   4 and name  H2' ) (resid   5 and name   H5)  3.500 0.447 0.288
assign (resid   4 and name  H1' ) (resid   5 and name H2'')  3.700 0.010 2.300
assign (resid   4 and name   H6 ) (resid   5 and name   H5)  3.700 0.010 1.188
assign (resid   4 and name  H1' ) (resid   5 and name   H5)  3.700 0.010 2.200
assign (resid   4 and name  H4' ) (resid   5 and name   H5)  3.500 0.010 1.900
assign (resid   4 and name  H2' ) (resid   5 and name   H6)  3.700 0.548 0.291
assign (resid   4 and name H2'' ) (resid   5 and name   H6)  3.700 0.283 0.603
assign (resid   5 and name H2'' ) (resid   6 and name   H8)  3.500 0.110 0.410
assign (resid   5 and name  H2' ) (resid   6 and name   H8)  3.500 0.112 1.391
assign (resid   5 and name  H1' ) (resid   6 and name   H8)  3.700 0.134 0.740
assign (resid   5 and name  H1' ) (resid   6 and name  H4')  3.700 0.101 0.391
assign (resid   5 and name  H1' ) (resid   6 and name  H1')  3.700 0.120 0.598
assign (resid   5 and name H2'' ) (resid   6 and name  H4')  3.700 0.010 1.800
assign (resid 101 and name  H3' ) (resid 102 and name   H6)  4.000 1.135 0.201
assign (resid 101 and name  H2' ) (resid 102 and name   H6)  3.700 0.100 0.449
assign (resid 101 and name H2'' ) (resid 102 and name   H6)  3.700 0.100 0.580
assign (resid 101 and name  H2' ) (resid 102 and name   H5)  3.700 0.100 0.869
assign (resid 101 and name H2'' ) (resid 102 and name   H5)  3.700 0.362 0.436
assign (resid 101 and name  H1' ) (resid 102 and name H2'')  5.000 0.010 0.500
assign (resid 101 and name  H1' ) (resid 102 and name  H4')  5.500 1.441 0.510
assign (resid 101 and name  H3' ) (resid 102 and name   H5)  4.300 0.515 0.564
assign (resid 101 and name  H4' ) (resid 102 and name   H5)  5.500 1.182 0.500
assign (resid 101 and name  H2' ) (resid 102 and name  H3')  4.300 0.175 1.043
assign (resid 101 and name H2'' ) (resid 102 and name  H3')  3.500 0.010 1.121
assign (resid 101 and name  H3' ) (resid 102 and name H2'')  4.000 0.010 1.156
assign (resid 101 and name  H2' ) (resid 102 and name  H4')  3.900 0.010 1.600
assign (resid 101 and name H2'' ) (resid 102 and name  H4')  3.400 0.010 1.282
assign (resid 102 and name   H5 ) (resid 103 and name   H8)  4.200 0.010 1.213
assign (resid 102 and name  H1' ) (resid 103 and name   H8)  4.000 0.398 0.142
assign (resid 102 and name  H1' ) (resid 103 and name  H1')  4.100 0.132 0.523
assign (resid 102 and name  H2' ) (resid 103 and name   H8)  3.700 0.010 1.500
assign (resid 102 and name H2'' ) (resid 103 and name   H8)  3.700 0.010 0.510
assign (resid 102 and name  H1' ) (resid 103 and name H2'')  3.400 0.010 2.000
assign (resid 102 and name H2'' ) (resid 103 and name  H4')  5.500 1.433 0.010
assign (resid 103 and name  H4' ) (resid 104 and name   H6)  2.700 0.578 0.083
assign (resid 103 and name  H1' ) (resid 104 and name   H6)  3.100 0.204 0.395
assign (resid 103 and name H2'' ) (resid 104 and name   H6)  3.900 0.010 1.335
assign (resid 103 and name  H2' ) (resid 104 and name   H6)  4.300 0.010 0.877
assign (resid 103 and name H2'' ) (resid 104 and name   H5)  4.300 0.010 1.263
assign (resid 103 and name  H2' ) (resid 104 and name   H5)  5.500 0.619 0.069
assign (resid 103 and name  H3' ) (resid 104 and name   H6)  5.100 0.884 0.010
assign (resid 103 and name   H8 ) (resid 104 and name   H5)  4.100 0.010 0.966
assign (resid 103 and name  H4' ) (resid 104 and name   H5)  3.600 0.231 0.405
assign (resid 103 and name  H3' ) (resid 104 and name   H5)  4.700 0.010 1.194
assign (resid 103 and name  H1' ) (resid 104 and name   H5)  3.100 0.010 0.816
assign (resid 103 and name  H3' ) (resid 105 and name   H6)  4.600 0.010 2.000
assign (resid 104 and name  H3' ) (resid 105 and name   H6)  3.300 0.800 0.010
assign (resid 104 and name  H3' ) (resid 105 and name   H5)  3.700 0.455 0.068
assign (resid 104 and name H2'' ) (resid 105 and name   H5)  3.500 0.010 1.500
assign (resid 104 and name  H2' ) (resid 105 and name   H5)  3.500 0.184 0.857
assign (resid 104 and name  H1' ) (resid 105 and name H2'')  3.700 0.010 2.774
assign (resid 104 and name   H6 ) (resid 105 and name   H5)  3.700 0.010 1.379
assign (resid 104 and name  H1' ) (resid 105 and name   H5)  3.700 0.010 2.674
assign (resid 104 and name  H4' ) (resid 105 and name   H5)  3.500 0.010 1.900
assign (resid 104 and name  H2' ) (resid 105 and name   H6)  3.700 0.764 0.343
assign (resid 104 and name H2'' ) (resid 105 and name   H6)  3.700 0.552 0.781
assign (resid 105 and name H2'' ) (resid 106 and name   H8)  3.500 0.110 0.440
assign (resid 105 and name  H2' ) (resid 106 and name   H8)  3.500 0.120 1.030
assign (resid 105 and name  H1' ) (resid 106 and name   H8)  3.700 0.010 1.176
assign (resid 105 and name  H1' ) (resid 106 and name  H4')  3.700 0.010 0.862
assign (resid 105 and name  H1' ) (resid 106 and name  H1')  3.700 0.075 1.163
assign (resid 105 and name H2'' ) (resid 106 and name  H4')  3.700 0.010 1.800

remark  Dihedral Restraints
remarks modified (see notes, added backbone torsions) 10/16/94
remarks C1,C2,G3,C4: 1'-2'(s),1'-2"(w),3'-2'(v.w),3'-2"(null),3'-4'(null)
remarks C5,G6:            (s)      (w)      (m  )      (v.w)       (m-)
assi(resid 101 and name C5')(resid 101 and name C4')
    (resid 101 and name C3')(resid 101 and name O3')  1   150.00   10.00  2
assi(resid 102 and name C5')(resid 102 and name C4')
    (resid 102 and name C3')(resid 102 and name O3')  1   150.00   10.00  2
assi(resid 103 and name C5')(resid 103 and name C4')
    (resid 103 and name C3')(resid 103 and name O3')  1   150.00   10.00  2
assi(resid 104 and name C5')(resid 104 and name C4')
    (resid 104 and name C3')(resid 104 and name O3')  1   150.00   10.00  2
assi(resid 105 and name C5')(resid 105 and name C4')
    (resid 105 and name C3')(resid 105 and name O3')  1   125.00   20.00  2
assi(resid 106 and name C5')(resid 106 and name C4')
    (resid 106 and name C3')(resid 106 and name O3')  1   125.00   20.00  2
assi(resid   1 and name C5')(resid   1 and name C4')
    (resid   1 and name C3')(resid   1 and name O3')  1   150.00   10.00  2
assi(resid   2 and name C5')(resid   2 and name C4')
    (resid   2 and name C3')(resid   2 and name O3')  1   150.00   10.00  2
assi(resid   3 and name C5')(resid   3 and name C4')
    (resid   3 and name C3')(resid   3 and name O3')  1   150.00   10.00  2
assi(resid   4 and name C5')(resid   4 and name C4')
    (resid   4 and name C3')(resid   4 and name O3')  1   150.00   10.00  2
assi(resid   5 and name C5')(resid   5 and name C4')
    (resid   5 and name C3')(resid   5 and name O3')  1   125.00   20.00  2
assi(resid   6 and name C5')(resid   6 and name C4')
    (resid   6 and name C3')(resid   6 and name O3')  1   125.00   20.00  2

remarks added backbone torsions
remakds alpha angles
!       235
assi(resid   1 and name O3')(resid   2 and name P  )
    (resid   2 and name O5')(resid   2 and name C5')  1   300.00   15.00  2
assi(resid 101 and name O3')(resid 102 and name P  )
    (resid 102 and name O5')(resid 102 and name C5')  1   300.00   15.00  2
!       350
assi(resid   2 and name O3')(resid   3 and name P  )
    (resid   3 and name O5')(resid   3 and name C5')  1   300.00   15.00  2
assi(resid 102 and name O3')(resid 103 and name P  )
    (resid 103 and name O5')(resid 103 and name C5')  1   300.00   15.00  2
!       350
assi(resid   3 and name O3')(resid   4 and name P  )
    (resid   4 and name O5')(resid   4 and name C5')  1   270.00   15.00  2
assi(resid 103 and name O3')(resid 104 and name P  )
    (resid 104 and name O5')(resid 104 and name C5')  1   270.00   15.00  2
!         25
assi(resid   4 and name O3')(resid   5 and name P  )
    (resid   5 and name O5')(resid   5 and name C5')  1   300.00   15.00  2
assi(resid 104 and name O3')(resid 105 and name P  )
    (resid 105 and name O5')(resid 105 and name C5')  1   300.00   15.00  2
!       310
assi(resid   5 and name O3')(resid   6 and name P  )
    (resid   6 and name O5')(resid   6 and name C5')  1   300.00   15.00  2
assi(resid 105 and name O3')(resid 106 and name P  )
    (resid 106 and name O5')(resid 106 and name C5')  1   300.00   15.00  2

remarks beta angles
!       135
assi(resid   2 and name P  )(resid   2 and name O5')
    (resid   2 and name C5')(resid   2 and name C4')  1   180.00   10.00  2
assi(resid 102 and name P  )(resid 102 and name O5')
    (resid 102 and name C5')(resid 102 and name C4')  1   180.00   10.00  2
!       285
assi(resid   3 and name P  )(resid   3 and name O5')
    (resid   3 and name C5')(resid   3 and name C4')  1   180.00   10.00  2
assi(resid 103 and name P  )(resid 103 and name O5')
    (resid 103 and name C5')(resid 103 and name C4')  1   180.00   10.00  2

assi(resid   4 and name P  )(resid   4 and name O5')
    (resid   4 and name C5')(resid   4 and name C4')  1   135.00   10.00  2
assi(resid 104 and name P  )(resid 104 and name O5')
    (resid 104 and name C5')(resid 104 and name C4')  1   135.00   10.00  2
!       230
assi(resid   5 and name P  )(resid   5 and name O5')
    (resid   5 and name C5')(resid   5 and name C4')  1   180.00   10.00  2
assi(resid 105 and name P  )(resid 105 and name O5')
    (resid 105 and name C5')(resid 105 and name C4')  1   180.00   10.00  2
!       300 10
assi(resid   6 and name P  )(resid   6 and name O5')
    (resid   6 and name C5')(resid   6 and name C4')  1   180.00   10.00  2
assi(resid 106 and name P  )(resid 106 and name O5')
    (resid 106 and name C5')(resid 106 and name C4')  1   180.00   10.00  2

remarks gama angles
!       180
assi(resid   1 and name O5')(resid   1 and name C5')
    (resid   1 and name C4')(resid   1 and name C3')  1   240.00  10.00  2
assi(resid 101 and name O5')(resid 101 and name C5')
    (resid 101 and name C4')(resid 101 and name C3')  1   240.00  10.00  2
!       10
assi(resid   2 and name O5')(resid   2 and name C5')
    (resid   2 and name C4')(resid   2 and name C3')  1    60.00    5.00  2
assi(resid 102 and name O5')(resid 102 and name C5')
    (resid 102 and name C4')(resid 102 and name C3')  1    60.00    5.00  2

!       245
assi(resid   3 and name O5')(resid   3 and name C5')
    (resid   3 and name C4')(resid   3 and name C3')  1   60.00    5.00  2
assi(resid 103 and name O5')(resid 103 and name C5')
    (resid 103 and name C4')(resid 103 and name C3')  1   60.00    5.00  2
!       305
assi(resid   4 and name O5')(resid   4 and name C5')
    (resid   4 and name C4')(resid   4 and name C3')  1  240.00   10.00  2
assi(resid 104 and name O5')(resid 104 and name C5')
    (resid 104 and name C4')(resid 104 and name C3')  1  240.00   10.00  2

assi(resid   5 and name O5')(resid   5 and name C5')
    (resid   5 and name C4')(resid   5 and name C3')  1    60.00    5.00  2
assi(resid 105 and name O5')(resid 105 and name C5')
    (resid 105 and name C4')(resid 105 and name C3')  1    60.00    5.00  2
!       200
assi(resid   6 and name O5')(resid   6 and name C5')
    (resid   6 and name C4')(resid   6 and name C3')  1   60.00    5.00  2
assi(resid 106 and name O5')(resid 106 and name C5')
    (resid 106 and name C4')(resid 106 and name C3')  1   60.00    5.00  2
remarks epsi angles
!       180  10
assi(resid   1 and name C4')(resid   1 and name C3')
    (resid   1 and name O3')(resid   2 and name P  )  1  200.00   10.00  2
assi(resid 101 and name C4')(resid 101 and name C3')
    (resid 101 and name O3')(resid 102 and name P  )  1  200.00   10.00  2
!       265
assi(resid   2 and name C4')(resid   2 and name C3')
    (resid   2 and name O3')(resid   3 and name P  )  1   200.00   10.00  2
assi(resid 102 and name C4')(resid 102 and name C3')
    (resid 102 and name O3')(resid 103 and name P  )  1   200.00   10.00  2
!       330
assi(resid   3 and name C4')(resid   3 and name C3')
    (resid   3 and name O3')(resid   4 and name P  )  1   150.00   10.00  2
assi(resid 103 and name C4')(resid 103 and name C3')
    (resid 103 and name O3')(resid 104 and name P  )  1   150.00   10.00  2
!       285
assi(resid   4 and name C4')(resid   4 and name C3')
    (resid   4 and name O3')(resid   5 and name P  )  1   200.00   10.00  2
assi(resid 104 and name C4')(resid 104 and name C3')
    (resid 104 and name O3')(resid 105 and name P  )  1   200.00   10.00  2
!       235
assi(resid   5 and name C4')(resid   5 and name C3')
    (resid   5 and name O3')(resid   6 and name P  )  1   200.00   10.00  2
assi(resid 105 and name C4')(resid 105 and name C3')
    (resid 105 and name O3')(resid 106 and name P  )  1   200.00   10.00  2
remarks zeta angles
assi(resid   1 and name C3')(resid   1 and name O3')
    (resid   2 and name P  )(resid   2 and name O5')  1   310.00   20.00  2
assi(resid 101 and name C3')(resid 101 and name O3')
    (resid 102 and name P  )(resid 102 and name O5')  1   310.00   20.00  2

assi(resid   2 and name C3')(resid   2 and name O3')
    (resid   3 and name P  )(resid   3 and name O5')  1   200.00   15.00  2
assi(resid 102 and name C3')(resid 102 and name O3')
    (resid 103 and name P  )(resid 103 and name O5')  1   200.00   15.00  2

assi(resid   3 and name C3')(resid   3 and name O3')
    (resid   4 and name P  )(resid   4 and name O5')  1   220.00   20.00  2
assi(resid 103 and name C3')(resid 103 and name O3')
    (resid 104 and name P  )(resid 104 and name O5')  1   220.00   20.00  2

assi(resid   4 and name C3')(resid   4 and name O3')
    (resid   5 and name P  )(resid   5 and name O5')  1   310.00   20.00  2
assi(resid 104 and name C3')(resid 104 and name O3')
    (resid 105 and name P  )(resid 105 and name O5')  1   310.00   20.00  2

assi(resid   5 and name C3')(resid   5 and name O3')
    (resid   6 and name P  )(resid   6 and name O5')  1   200.00   15.00  2
assi(resid 105 and name C3')(resid 105 and name O3')
    (resid 106 and name P  )(resid 106 and name O5')  1   200.00   15.00  2

remarks glycosidic angles
assi(resid   1 and name C2 )(resid   1 and name N1 )
    (resid   1 and name C1')(resid   1 and name O4')  1   -70.00   20.00  2
assi(resid   2 and name C2 )(resid   2 and name N1 )
    (resid   2 and name C1')(resid   2 and name O4')  1   -65.00   10.00  2
assi(resid   5 and name C2 )(resid   5 and name N1 )
    (resid   5 and name C1')(resid   5 and name O4')  1   -65.00   10.00  2
assi(resid 101 and name C2 )(resid 101 and name N1 )
    (resid 101 and name C1')(resid 101 and name O4')  1   -70.00   20.00  2
assi(resid 102 and name C2 )(resid 102 and name N1 )
    (resid 102 and name C1')(resid 102 and name O4')  1   -65.00   10.00  2
assi(resid 105 and name C2 )(resid 105 and name N1 )
    (resid 105 and name C1')(resid 105 and name O4')  1   -65.00   10.00  2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          H5''        C   1  -9.428 -12.264  -4.778
    2   2H5*    C   1          H5'         C   1  -8.044 -12.157  -3.710
    3    H4*    C   1           H4'        C   1 -10.474 -13.868  -2.976
    4    H3*    C   1           H3'        C   1 -10.899 -11.170  -3.439
    5    H1*    C   1           H1'        C   1 -10.006 -12.471   0.083
    6   1H4     C   1          1H4         C   1  -4.348 -11.873   2.456
    7   2H4     C   1          2H4         C   1  -3.500 -11.403   0.990
    8    H5     C   1           H5         C   1  -4.859 -11.017  -0.990
    9    H6     C   1           H6         C   1  -7.170 -11.243  -1.934
   10    H5T    C   1           H5T        C   1  -7.893 -14.423  -3.837
   11   1H2*    C   1          H2'         C   1  -9.232 -10.360  -1.958
   12   2H2*    C   1          H2''        C   1 -10.574 -10.372  -0.835
   13   1H5*    C   2          H5''        C   2 -12.429 -10.402   0.515
   14   2H5*    C   2          H5'         C   2 -14.044  -9.728   0.274
   15    H4*    C   2           H4'        C   2 -12.666  -8.125   1.541
   16    H3*    C   2           H3'        C   2 -14.095  -7.355  -0.787
   17    H1*    C   2           H1'        C   2 -10.656  -6.136   0.224
   18   1H4     C   2          1H4         C   2  -5.943  -7.835  -4.051
   19   2H4     C   2          2H4         C   2  -5.292  -7.957  -2.442
   20    H5     C   2           H5         C   2  -8.266  -7.356  -4.332
   21    H6     C   2           H6         C   2 -10.422  -6.939  -3.168
   22   1H2*    C   2          H2'         C   2 -12.192  -7.340  -2.135
   23   2H2*    C   2          H2''        C   2 -12.134  -5.646  -1.634
   24   1H5*    G   3          H5''        G   3 -12.036  -4.599   1.925
   25   2H5*    G   3          H5'         G   3 -12.866  -3.113   2.329
   26    H4*    G   3           H4'        G   3 -10.537  -2.961   2.735
   27    H3*    G   3           H3'        G   3 -11.719  -0.927   1.051
   28    H1*    G   3           H1'        G   3  -8.231  -2.319   1.370
   29    H8     G   3           H8         G   3  -9.197  -2.959  -2.290
   30    H1     G   3           H1         G   3  -3.561  -5.467  -0.452
   31   1H2     G   3          1H2         G   3  -4.601  -4.402   2.595
   32   2H2     G   3          2H2         G   3  -3.296  -5.183   1.745
   33   1H2*    G   3          H2'         G   3 -10.277  -1.567  -0.756
   34   2H2*    G   3          H2''        G   3  -9.190  -0.447   0.076
   35   1H5*    C   4          H5''        C   4  -9.994  -1.942   4.520
   36   2H5*    C   4          H5'         C   4 -11.748  -1.958   4.631
   37    H4*    C   4           H4'        C   4 -11.499  -1.521   7.134
   38    H3*    C   4           H3'        C   4  -8.857  -0.868   6.857
   39    H1*    C   4           H1'        C   4  -9.731  -4.507   7.747
   40   1H4     C   4          1H4         C   4  -9.594  -8.115   2.155
   41   2H4     C   4          2H4         C   4  -9.725  -9.144   3.569
   42    H5     C   4           H5         C   4  -9.357  -5.772   2.447
   43    H6     C   4           H6         C   4  -9.327  -3.903   4.117
   44   1H2*    C   4          H2'         C   4  -8.210  -2.879   5.676
   45   2H2*    C   4          H2''        C   4  -7.756  -3.306   7.311
   46   1H5*    C   5          H5''        C   5  -6.314  -3.125   8.790
   47   2H5*    C   5          H5'         C   5  -5.715  -2.140  10.112
   48    H4*    C   5           H4'        C   5  -3.895  -2.593   8.476
   49    H3*    C   5           H3'        C   5  -4.438  -0.091   9.626
   50    H1*    C   5           H1'        C   5  -3.424  -0.654   6.044
   51   1H4     C   5          1H4         C   5  -6.968   0.171   0.905
   52   2H4     C   5          2H4         C   5  -8.372   0.575   1.881
   53    H5     C   5           H5         C   5  -8.293   0.810   4.157
   54    H6     C   5           H6         C   5  -6.955   0.410   6.224
   55   1H2*    C   5          H2'         C   5  -5.557   0.763   7.708
   56   2H2*    C   5          H2''        C   5  -3.917   1.303   7.355
   57   1H5*    G   6          H5''        G   6  -0.483   2.974   9.360
   58   2H5*    G   6          H5'         G   6  -1.717   2.347   8.291
   59    H4*    G   6           H4'        G   6   1.201   1.886   7.551
   60    H3*    G   6           H3'        G   6   0.122   4.533   7.840
   61    H1*    G   6           H1'        G   6   0.288   2.587   4.524
   62    H8     G   6           H8         G   6  -3.302   3.068   5.899
   63    H1     G   6           H1         G   6  -2.914   1.501  -0.334
   64   1H2     G   6          1H2         G   6   0.372   1.345   0.377
   65   2H2     G   6          2H2         G   6  -0.791   1.185  -0.915
   66   1H2*    G   6          H2'         G   6  -1.438   4.466   6.163
   67   2H2*    G   6          H2''        G   6  -0.059   4.845   5.133
   68   1H5*    C 101          H5''        C 101  -4.878   5.795  -3.051
   69   2H5*    C 101          H5'         C 101  -5.008   7.436  -2.429
   70    H4*    C 101           H4'        C 101  -3.736   8.227  -4.548
   71    H3*    C 101           H3'        C 101  -3.910   5.653  -5.535
   72    H1*    C 101           H1'        C 101  -0.772   6.786  -3.727
   73   1H4     C 101          1H4         C 101  -0.604   4.068   2.346
   74   2H4     C 101          2H4         C 101   0.864   4.908   1.902
   75    H5     C 101           H5         C 101  -2.540   4.399   0.838
   76    H6     C 101           H6         C 101  -3.197   5.190  -1.454
   77    H5T    C 101           H5T        C 101  -6.811   6.777  -3.626
   78   1H2*    C 101          H2'         C 101  -2.903   4.619  -3.607
   79   2H2*    C 101          H2''        C 101  -1.498   4.724  -4.651
   80   1H5*    C 102          H5''        C 102   0.321   4.828  -5.948
   81   2H5*    C 102          H5'         C 102   0.535   4.393  -7.644
   82    H4*    C 102           H4'        C 102   1.172   2.493  -6.183
   83    H3*    C 102           H3'        C 102  -0.511   2.183  -8.415
   84    H1*    C 102           H1'        C 102  -1.091   0.483  -5.064
   85   1H4     C 102          1H4         C 102  -6.477   2.727  -2.033
   86   2H4     C 102          2H4         C 102  -5.340   2.279  -0.797
   87    H5     C 102           H5         C 102  -5.907   2.612  -4.315
   88    H6     C 102           H6         C 102  -4.102   2.153  -5.947
   89   1H2*    C 102          H2'         C 102  -2.479   2.203  -7.182
   90   2H2*    C 102          H2''        C 102  -2.231   0.457  -7.179
   91   1H5*    G 103          H5''        G 103   0.891  -1.135  -5.942
   92   2H5*    G 103          H5'         G 103   1.422  -2.581  -6.772
   93    H4*    G 103           H4'        G 103   0.885  -3.020  -4.520
   94    H3*    G 103           H3'        G 103  -0.437  -4.623  -6.520
   95    H1*    G 103           H1'        G 103  -1.382  -3.639  -2.992
   96    H8     G 103           H8         G 103  -4.109  -2.167  -5.280
   97    H1     G 103           H1         G 103  -4.755  -0.814   0.979
   98   1H2     G 103          1H2         G 103  -1.782  -2.388   1.186
   99   2H2     G 103          2H2         G 103  -2.983  -1.533   2.110
  100   1H2*    G 103          H2'         G 103  -2.590  -3.855  -5.780
  101   2H2*    G 103          H2''        G 103  -2.367  -5.177  -4.626
  102   1H5*    C 104          H5''        C 104   2.201  -4.423  -3.667
  103   2H5*    C 104          H5'         C 104   3.072  -4.490  -5.183
  104    H4*    C 104           H4'        C 104   5.082  -5.352  -3.933
  105    H3*    C 104           H3'        C 104   3.587  -6.160  -1.805
  106    H1*    C 104           H1'        C 104   5.214  -2.703  -1.590
  107   1H4     C 104          1H4         C 104   0.626   1.893  -2.990
  108   2H4     C 104          2H4         C 104   2.137   2.653  -2.515
  109    H5     C 104           H5         C 104   0.444  -0.459  -2.967
  110    H6     C 104           H6         C 104   1.670  -2.600  -2.655
  111   1H2*    C 104          H2'         C 104   2.487  -4.061  -1.453
  112   2H2*    C 104          H2''        C 104   3.720  -3.943  -0.246
  113   1H5*    C 105          H5''        C 105   4.694  -4.126   1.492
  114   2H5*    C 105          H5'         C 105   5.277  -5.311   2.626
  115    H4*    C 105           H4'        C 105   3.119  -4.251   3.375
  116    H3*    C 105           H3'        C 105   3.854  -6.937   3.639
  117    H1*    C 105           H1'        C 105   0.409  -5.765   2.710
  118   1H4     C 105          1H4         C 105  -2.552  -6.611  -2.773
  119   2H4     C 105          2H4         C 105  -1.073  -7.133  -3.579
  120    H5     C 105           H5         C 105   0.932  -7.336  -2.469
  121    H6     C 105           H6         C 105   2.155  -6.987  -0.307
  122   1H2*    C 105          H2'         C 105   2.588  -7.654   1.729
  123   2H2*    C 105          H2''        C 105   1.397  -7.925   3.007
  124   1H5*    G 106          H5''        G 106   1.992  -9.782   6.456
  125   2H5*    G 106          H5'         G 106   1.717  -9.055   4.897
  126    H4*    G 106           H4'        G 106  -0.620  -9.448   6.838
  127    H3*    G 106           H3'        G 106   0.881 -11.560   5.467
  128    H1*    G 106           H1'        G 106  -2.534 -10.068   4.638
  129    H8     G 106           H8         G 106  -0.022  -9.905   1.727
  130    H1     G 106           H1         G 106  -5.933  -7.868   0.254
  131   1H2     G 106          1H2         G 106  -6.444  -8.186   3.561
  132   2H2     G 106          2H2         G 106  -7.209  -7.763   2.047
  133    H3T    G 106           H3T        G 106  -0.526 -11.575   7.303
  134   1H2*    G 106          H2'         G 106  -0.017 -11.263   3.401
  135   2H2*    G 106          H2''        G 106  -1.418 -12.104   4.055
  Start of MODEL    2
    1   1H5*    C   1          H5''        C   1  -8.636 -11.493  -6.451
    2   2H5*    C   1          H5'         C   1  -7.371 -11.475  -5.238
    3    H4*    C   1           H4'        C   1  -9.858 -13.248  -4.962
    4    H3*    C   1           H3'        C   1 -10.194 -10.499  -5.122
    5    H1*    C   1           H1'        C   1  -9.734 -12.281  -1.724
    6   1H4     C   1          1H4         C   1  -3.343 -11.587  -0.009
    7   2H4     C   1          2H4         C   1  -4.342 -12.288   1.261
    8    H5     C   1           H5         C   1  -4.484 -10.834  -2.023
    9    H6     C   1           H6         C   1  -6.690 -10.822  -3.212
   10    H5T    C   1           H5T        C   1  -7.173 -13.724  -5.567
   11   1H2*    C   1          H2'         C   1  -8.738  -9.914  -3.346
   12   2H2*    C   1          H2''        C   1 -10.202 -10.069  -2.411
   13   1H5*    C   2          H5''        C   2 -12.190 -10.323  -1.302
   14   2H5*    C   2          H5'         C   2 -13.789  -9.650  -1.622
   15    H4*    C   2           H4'        C   2 -12.624  -8.236   0.039
   16    H3*    C   2           H3'        C   2 -13.807  -7.151  -2.303
   17    H1*    C   2           H1'        C   2 -10.519  -6.045  -0.783
   18   1H4     C   2          1H4         C   2  -5.412  -7.180  -4.810
   19   2H4     C   2          2H4         C   2  -4.889  -7.447  -3.173
   20    H5     C   2           H5         C   2  -7.707  -6.692  -5.222
   21    H6     C   2           H6         C   2  -9.953  -6.437  -4.216
   22   1H2*    C   2          H2'         C   2 -11.786  -6.943  -3.426
   23   2H2*    C   2          H2''        C   2 -11.809  -5.331  -2.706
   24   1H5*    G   3          H5''        G   3 -12.162  -4.660   0.955
   25   2H5*    G   3          H5'         G   3 -13.043  -3.197   1.337
   26    H4*    G   3           H4'        G   3 -10.768  -3.100   2.049
   27    H3*    G   3           H3'        G   3 -11.772  -0.928   0.433
   28    H1*    G   3           H1'        G   3  -8.324  -2.344   1.002
   29    H8     G   3           H8         G   3  -8.912  -2.642  -2.777
   30    H1     G   3           H1         G   3  -3.456  -5.301  -0.613
   31   1H2     G   3          1H2         G   3  -4.822  -4.530   2.382
   32   2H2     G   3          2H2         G   3  -3.447  -5.291   1.629
   33   1H2*    G   3          H2'         G   3 -10.143  -1.417  -1.259
   34   2H2*    G   3          H2''        G   3  -9.164  -0.368  -0.220
   35   1H5*    C   4          H5''        C   4 -10.288  -2.234   3.976
   36   2H5*    C   4          H5'         C   4 -12.042  -2.339   3.797
   37    H4*    C   4           H4'        C   4 -12.169  -2.151   6.365
   38    H3*    C   4           H3'        C   4  -9.500  -1.538   6.504
   39    H1*    C   4           H1'        C   4 -10.564  -5.244   6.868
   40   1H4     C   4          1H4         C   4  -9.643  -8.121   0.926
   41   2H4     C   4          2H4         C   4  -9.845  -9.324   2.186
   42    H5     C   4           H5         C   4  -9.550  -5.825   1.529
   43    H6     C   4           H6         C   4  -9.749  -4.186   3.423
   44   1H2*    C   4          H2'         C   4  -8.684  -3.452   5.279
   45   2H2*    C   4          H2''        C   4  -8.526  -4.045   6.920
   46   1H5*    C   5          H5''        C   5  -7.287  -3.921   8.644
   47   2H5*    C   5          H5'         C   5  -6.827  -2.988  10.059
   48    H4*    C   5           H4'        C   5  -4.856  -3.404   8.577
   49    H3*    C   5           H3'        C   5  -5.488  -0.998   9.867
   50    H1*    C   5           H1'        C   5  -4.152  -1.246   6.373
   51   1H4     C   5          1H4         C   5  -7.101   0.150   1.008
   52   2H4     C   5          2H4         C   5  -8.617   0.468   1.842
   53    H5     C   5           H5         C   5  -8.799   0.427   4.133
   54    H6     C   5           H6         C   5  -7.700  -0.210   6.280
   55   1H2*    C   5          H2'         C   5  -6.461  -0.005   7.945
   56   2H2*    C   5          H2''        C   5  -4.820   0.603   7.781
   57   1H5*    G   6          H5''        G   6  -1.775   2.081  10.519
   58   2H5*    G   6          H5'         G   6  -2.874   1.598   9.243
   59    H4*    G   6           H4'        G   6   0.139   1.591   8.736
   60    H3*    G   6           H3'        G   6  -1.372   3.986   9.263
   61    H1*    G   6           H1'        G   6  -0.543   2.633   5.789
   62    H8     G   6           H8         G   6  -4.335   2.595   6.580
   63    H1     G   6           H1         G   6  -2.754   1.647   0.425
   64   1H2     G   6          1H2         G   6   0.361   1.572   1.694
   65   2H2     G   6          2H2         G   6  -0.552   1.444   0.207
   66   1H2*    G   6          H2'         G   6  -2.728   3.966   7.423
   67   2H2*    G   6          H2''        G   6  -1.325   4.687   6.633
   68   1H5*    C 101          H5''        C 101  -4.703   6.293  -2.734
   69   2H5*    C 101          H5'         C 101  -4.949   7.732  -1.754
   70    H4*    C 101           H4'        C 101  -3.116   8.823  -3.354
   71    H3*    C 101           H3'        C 101  -3.037   6.369  -4.600
   72    H1*    C 101           H1'        C 101  -0.601   7.024  -1.593
   73   1H4     C 101          1H4         C 101  -3.874   4.724   3.749
   74   2H4     C 101          2H4         C 101  -2.286   5.399   4.108
   75    H5     C 101           H5         C 101  -4.534   4.682   1.391
   76    H6     C 101           H6         C 101  -3.848   5.372  -0.907
   77    H5T    C 101           H5T        C 101  -6.359   7.584  -3.517
   78   1H2*    C 101          H2'         C 101  -2.591   5.028  -2.688
   79   2H2*    C 101          H2''        C 101  -0.940   5.320  -3.155
   80   1H5*    C 102          H5''        C 102   1.119   5.452  -4.082
   81   2H5*    C 102          H5'         C 102   1.717   5.231  -5.728
   82    H4*    C 102           H4'        C 102   2.027   3.140  -4.450
   83    H3*    C 102           H3'        C 102   0.751   3.154  -6.977
   84    H1*    C 102           H1'        C 102  -0.326   1.063  -4.010
   85   1H4     C 102          1H4         C 102  -5.192   2.398  -0.281
   86   2H4     C 102          2H4         C 102  -6.163   2.998  -1.593
   87    H5     C 102           H5         C 102  -5.259   3.041  -3.792
   88    H6     C 102           H6         C 102  -3.218   2.742  -5.165
   89   1H2*    C 102          H2'         C 102  -1.404   3.048  -6.085
   90   2H2*    C 102          H2''        C 102  -1.141   1.311  -6.271
   91   1H5*    G 103          H5''        G 103   1.683  -0.534  -4.762
   92   2H5*    G 103          H5'         G 103   2.254  -1.887  -5.714
   93    H4*    G 103           H4'        G 103   1.344  -2.555  -3.614
   94    H3*    G 103           H3'        G 103   0.337  -3.841  -6.009
   95    H1*    G 103           H1'        G 103  -1.072  -3.278  -2.555
   96    H8     G 103           H8         G 103  -3.518  -1.539  -4.975
   97    H1     G 103           H1         G 103  -4.795  -0.799   1.289
   98   1H2     G 103          1H2         G 103  -1.845  -2.418   1.626
   99   2H2     G 103          2H2         G 103  -3.147  -1.676   2.514
  100   1H2*    G 103          H2'         G 103  -1.909  -3.180  -5.478
  101   2H2*    G 103          H2''        G 103  -1.817  -4.618  -4.453
  102   1H5*    C 104          H5''        C 104   2.648  -4.088  -2.966
  103   2H5*    C 104          H5'         C 104   3.706  -4.100  -4.361
  104    H4*    C 104           H4'        C 104   5.506  -5.127  -2.969
  105    H3*    C 104           H3'        C 104   3.777  -6.177  -1.174
  106    H1*    C 104           H1'        C 104   5.372  -2.829  -0.279
  107   1H4     C 104          1H4         C 104   1.032   2.045  -1.509
  108   2H4     C 104          2H4         C 104   2.493   2.715  -0.805
  109    H5     C 104           H5         C 104   0.819  -0.263  -1.804
  110    H6     C 104           H6         C 104   1.970  -2.467  -1.665
  111   1H2*    C 104          H2'         C 104   2.638  -4.122  -0.670
  112   2H2*    C 104          H2''        C 104   3.703  -4.194   0.694
  113   1H5*    C 105          H5''        C 105   4.624  -4.493   2.520
  114   2H5*    C 105          H5'         C 105   5.032  -5.842   3.553
  115    H4*    C 105           H4'        C 105   2.886  -4.708   4.255
  116    H3*    C 105           H3'        C 105   3.431  -7.425   4.344
  117    H1*    C 105           H1'        C 105   0.175  -6.058   3.138
  118   1H4     C 105          1H4         C 105  -0.607  -6.637  -3.395
  119   2H4     C 105          2H4         C 105  -2.178  -6.254  -2.700
  120    H5     C 105           H5         C 105   1.293  -6.889  -2.119
  121    H6     C 105           H6         C 105   2.268  -6.830   0.204
  122   2H2*    C 105          H2'         C 105   1.073  -8.263   3.252
  123   1H2*    C 105          H2''        C 105   2.419  -7.880   2.183
  124   1H5*    G 106          H5''        G 106   1.427 -10.608   6.253
  125   2H5*    G 106          H5'         G 106   1.498  -9.642   4.815
  126    H4*    G 106           H4'        G 106  -1.176 -10.644   5.956
  127    H3*    G 106           H3'        G 106   0.898 -11.970   4.209
  128    H1*    G 106           H1'        G 106  -2.725 -10.737   3.689
  129    H8     G 106           H8         G 106  -0.061 -10.097   1.005
  130    H1     G 106           H1         G 106  -5.849  -7.757  -0.482
  131   1H2     G 106          1H2         G 106  -6.623  -8.584   2.682
  132   2H2     G 106          2H2         G 106  -7.240  -7.904   1.192
  133    H3T    G 106           H3T        G 106  -0.294 -12.738   6.082
  134   1H2*    G 106          H2'         G 106  -0.237 -11.804   2.295
  135   2H2*    G 106          H2''        G 106  -1.594 -12.669   2.993
  Start of MODEL    3
    1   1H5*    C   1          H5''        C   1  -9.736 -11.762  -5.621
    2   2H5*    C   1          H5'         C   1  -8.379 -11.742  -4.505
    3    H4*    C   1           H4'        C   1 -10.990 -13.190  -3.840
    4    H3*    C   1           H3'        C   1 -10.996 -10.424  -4.262
    5    H1*    C   1           H1'        C   1 -10.512 -12.022  -0.758
    6   1H4     C   1          1H4         C   1  -3.952 -11.799   0.395
    7   2H4     C   1          2H4         C   1  -4.884 -12.478   1.730
    8    H5     C   1           H5         C   1  -5.198 -10.994  -1.522
    9    H6     C   1           H6         C   1  -7.493 -10.847  -2.532
   10    H5T    C   1           H5T        C   1  -8.304 -13.425  -6.040
   11   1H2*    C   1          H2'         C   1  -9.455  -9.834  -2.578
   12   2H2*    C   1          H2''        C   1 -10.884  -9.839  -1.573
   13   1H5*    C   2          H5''        C   2 -12.919  -9.477  -0.491
   14   2H5*    C   2          H5'         C   2 -14.391  -8.631  -0.960
   15    H4*    C   2           H4'        C   2 -13.016  -7.147   0.475
   16    H3*    C   2           H3'        C   2 -14.022  -6.288  -2.047
   17    H1*    C   2           H1'        C   2 -10.662  -5.443  -0.549
   18   1H4     C   2          1H4         C   2  -5.179  -7.832  -2.386
   19   2H4     C   2          2H4         C   2  -5.585  -7.742  -4.068
   20    H5     C   2           H5         C   2  -7.788  -7.050  -4.692
   21    H6     C   2           H6         C   2 -10.029  -6.387  -3.869
   22   1H2*    C   2          H2'         C   2 -11.965  -6.497  -3.122
   23   2H2*    C   2          H2''        C   2 -11.773  -4.817  -2.609
   24   1H5*    G   3          H5''        G   3 -11.863  -3.681   0.754
   25   2H5*    G   3          H5'         G   3 -12.645  -2.139   1.013
   26    H4*    G   3           H4'        G   3 -10.354  -2.036   1.652
   27    H3*    G   3           H3'        G   3 -11.237  -0.132  -0.384
   28    H1*    G   3           H1'        G   3  -7.920  -1.675   0.671
   29    H8     G   3           H8         G   3  -8.261  -2.309  -3.109
   30    H1     G   3           H1         G   3  -3.647  -5.654  -0.124
   31   1H2     G   3          1H2         G   3  -5.133  -4.368   2.624
   32   2H2     G   3          2H2         G   3  -3.781  -5.324   2.069
   33   1H2*    G   3          H2'         G   3  -9.476  -0.811  -1.807
   34   2H2*    G   3          H2''        G   3  -8.528   0.253  -0.785
   35   1H5*    C   4          H5''        C   4 -10.757  -0.847   3.325
   36   2H5*    C   4          H5'         C   4 -12.467  -0.502   3.185
   37    H4*    C   4           H4'        C   4 -12.508   0.090   5.635
   38    H3*    C   4           H3'        C   4  -9.814   0.492   5.753
   39    H1*    C   4           H1'        C   4 -11.136  -2.974   6.772
   40   1H4     C   4          1H4         C   4 -10.199  -7.087   1.619
   41   2H4     C   4          2H4         C   4 -10.951  -7.933   2.959
   42    H5     C   4           H5         C   4  -9.622  -4.812   1.874
   43    H6     C   4           H6         C   4  -9.737  -2.822   3.375
   44   1H2*    C   4          H2'         C   4  -9.148  -1.628   4.894
   45   2H2*    C   4          H2''        C   4  -9.032  -1.973   6.587
   46   1H5*    C   5          H5''        C   5  -7.978  -2.156   8.299
   47   2H5*    C   5          H5'         C   5  -7.535  -1.178   9.669
   48    H4*    C   5           H4'        C   5  -5.497  -2.057   8.557
   49    H3*    C   5           H3'        C   5  -5.817   0.574   9.432
   50    H1*    C   5           H1'        C   5  -4.232  -0.295   6.148
   51   1H4     C   5          1H4         C   5  -8.084   1.306   1.068
   52   2H4     C   5          2H4         C   5  -6.562   0.696   0.422
   53    H5     C   5           H5         C   5  -8.465   1.571   3.320
   54    H6     C   5           H6         C   5  -7.604   1.107   5.618
   55   2H2*    C   5          H2'         C   5  -4.738   1.756   7.291
   56   1H2*    C   5          H2''        C   5  -6.461   1.434   7.317
   57   1H5*    G   6          H5''        G   6  -1.136   2.742   9.906
   58   2H5*    G   6          H5'         G   6  -2.495   2.435   8.858
   59    H4*    G   6           H4'        G   6   0.082   0.883   8.345
   60    H3*    G   6           H3'        G   6   0.446   3.644   8.465
   61    H1*    G   6           H1'        G   6  -0.474   2.004   5.164
   62    H8     G   6           H8         G   6  -3.537   3.745   6.702
   63    H1     G   6           H1         G   6  -4.108   2.394   0.449
   64   1H2     G   6          1H2         G   6  -1.155   0.886   0.866
   65   2H2     G   6          2H2         G   6  -2.239   1.510  -0.331
   66   1H2*    G   6          H2'         G   6  -1.348   4.226   7.047
   67   2H2*    G   6          H2''        G   6  -0.007   4.239   5.899
   68   1H5*    C 101          H5''        C 101  -3.211   6.828  -3.820
   69   2H5*    C 101          H5'         C 101  -2.715   6.205  -2.256
   70    H4*    C 101           H4'        C 101  -0.843   7.971  -3.922
   71    H3*    C 101           H3'        C 101  -1.721   5.538  -4.994
   72    H1*    C 101           H1'        C 101   1.503   5.971  -3.107
   73   1H4     C 101          1H4         C 101   1.105   2.836   2.742
   74   2H4     C 101          2H4         C 101   2.768   3.099   2.226
   75    H5     C 101           H5         C 101  -0.634   3.650   1.324
   76    H6     C 101           H6         C 101  -1.144   4.769  -0.875
   77    H5T    C 101           H5T        C 101  -3.844   8.172  -2.143
   78   1H2*    C 101          H2'         C 101  -1.032   4.274  -3.084
   79   2H2*    C 101          H2''        C 101   0.391   4.064  -4.088
   80   1H5*    C 102          H5''        C 102   2.267   3.861  -5.186
   81   2H5*    C 102          H5'         C 102   2.535   3.341  -6.843
   82    H4*    C 102           H4'        C 102   2.698   1.427  -5.211
   83    H3*    C 102           H3'        C 102   1.319   1.290  -7.666
   84    H1*    C 102           H1'        C 102  -0.123  -0.094  -4.336
   85   1H4     C 102          1H4         C 102  -5.157   3.867  -2.671
   86   2H4     C 102          2H4         C 102  -4.307   3.506  -1.205
   87    H5     C 102           H5         C 102  -4.351   3.105  -4.759
   88    H6     C 102           H6         C 102  -2.520   1.943  -5.923
   89   1H2*    C 102          H2'         C 102  -0.763   1.602  -6.813
   90   2H2*    C 102          H2''        C 102  -0.782  -0.148  -6.632
   91   1H5*    G 103          H5''        G 103   1.912  -2.172  -5.056
   92   2H5*    G 103          H5'         G 103   2.208  -3.701  -5.847
   93    H4*    G 103           H4'        G 103   1.434  -3.979  -3.636
   94    H3*    G 103           H3'        G 103   0.017  -5.346  -5.752
   95    H1*    G 103           H1'        G 103  -1.071  -4.139  -2.297
   96    H8     G 103           H8         G 103  -3.025  -2.110  -4.963
   97    H1     G 103           H1         G 103  -4.263  -0.566   1.166
   98   1H2     G 103          1H2         G 103  -1.975  -2.923   1.779
   99   2H2     G 103          2H2         G 103  -2.993  -1.712   2.524
  100   1H2*    G 103          H2'         G 103  -2.031  -4.248  -5.189
  101   2H2*    G 103          H2''        G 103  -2.103  -5.562  -4.026
  102   1H5*    C 104          H5''        C 104   2.403  -5.540  -2.692
  103   2H5*    C 104          H5'         C 104   3.460  -5.763  -4.071
  104    H4*    C 104           H4'        C 104   5.104  -6.913  -2.528
  105    H3*    C 104           H3'        C 104   3.196  -7.408  -0.660
  106    H1*    C 104           H1'        C 104   5.336  -4.241  -0.218
  107   1H4     C 104          1H4         C 104   1.594   0.966  -1.989
  108   2H4     C 104          2H4         C 104   3.129   1.499  -1.326
  109    H5     C 104           H5         C 104   1.123  -1.340  -2.104
  110    H6     C 104           H6         C 104   1.996  -3.646  -1.697
  111   1H2*    C 104          H2'         C 104   2.447  -5.157  -0.341
  112   2H2*    C 104          H2''        C 104   3.587  -5.234   0.959
  113   1H5*    C 105          H5''        C 105   4.307  -5.536   2.859
  114   2H5*    C 105          H5'         C 105   4.568  -6.835   4.005
  115    H4*    C 105           H4'        C 105   2.608  -5.362   4.643
  116    H3*    C 105           H3'        C 105   2.739  -8.114   4.975
  117    H1*    C 105           H1'        C 105  -0.291  -6.435   3.598
  118   1H4     C 105          1H4         C 105  -1.195  -7.508  -2.841
  119   2H4     C 105          2H4         C 105  -2.643  -6.744  -2.198
  120    H5     C 105           H5         C 105   0.648  -7.942  -1.544
  121    H6     C 105           H6         C 105   1.649  -7.819   0.765
  122   2H2*    C 105          H2'         C 105   0.314  -8.714   3.922
  123   1H2*    C 105          H2''        C 105   1.692  -8.600   2.836
  124   1H5*    G 106          H5''        G 106   0.382 -10.781   7.410
  125   2H5*    G 106          H5'         G 106   0.563 -10.086   5.820
  126    H4*    G 106           H4'        G 106  -2.207 -10.533   7.084
  127    H3*    G 106           H3'        G 106  -0.377 -12.381   5.545
  128    H1*    G 106           H1'        G 106  -3.771 -10.659   4.769
  129    H8     G 106           H8         G 106  -0.850 -10.656   2.259
  130    H1     G 106           H1         G 106  -6.211  -7.807   0.138
  131   1H2     G 106          1H2         G 106  -7.709  -7.652   1.722
  132   2H2     G 106          2H2         G 106  -7.293  -8.365   3.269
  133    H3T    G 106           H3T        G 106  -1.665 -12.684   7.506
  134   1H2*    G 106          H2'         G 106  -1.554 -12.343   3.608
  135   2H2*    G 106          H2''        G 106  -3.014 -12.815   4.447
  Start of MODEL    4
    1   1H5*    C   1          H5''        C   1  -8.702 -11.636  -5.546
    2   2H5*    C   1          H5'         C   1  -7.493 -11.630  -4.279
    3    H4*    C   1           H4'        C   1 -10.036 -13.314  -4.040
    4    H3*    C   1           H3'        C   1 -10.304 -10.572  -4.343
    5    H1*    C   1           H1'        C   1  -9.983 -12.157  -0.848
    6   1H4     C   1          1H4         C   1  -3.644 -11.613   1.057
    7   2H4     C   1          2H4         C   1  -4.726 -12.025   2.383
    8    H5     C   1           H5         C   1  -4.662 -11.002  -1.058
    9    H6     C   1           H6         C   1  -6.815 -11.003  -2.336
   10    H5T    C   1           H5T        C   1  -7.075 -13.159  -5.876
   11   1H2*    C   1          H2'         C   1  -8.822  -9.955  -2.585
   12   2H2*    C   1          H2''        C   1 -10.316  -9.969  -1.668
   13   1H5*    C   2          H5''        C   2 -12.317 -10.125  -0.532
   14   2H5*    C   2          H5'         C   2 -13.886  -9.392  -0.894
   15    H4*    C   2           H4'        C   2 -12.646  -7.970   0.705
   16    H3*    C   2           H3'        C   2 -13.814  -6.932  -1.658
   17    H1*    C   2           H1'        C   2 -10.436  -5.896  -0.246
   18   1H4     C   2          1H4         C   2  -5.472  -7.610  -4.264
   19   2H4     C   2          2H4         C   2  -4.953  -7.785  -2.610
   20    H5     C   2           H5         C   2  -7.755  -7.005  -4.693
   21    H6     C   2           H6         C   2  -9.965  -6.542  -3.674
   22   1H2*    C   2          H2'         C   2 -11.815  -6.810  -2.823
   23   2H2*    C   2          H2''        C   2 -11.753  -5.188  -2.125
   24   1H5*    G   3          H5''        G   3 -12.138  -4.460   1.587
   25   2H5*    G   3          H5'         G   3 -12.995  -2.989   1.993
   26    H4*    G   3           H4'        G   3 -10.732  -2.927   2.719
   27    H3*    G   3           H3'        G   3 -11.662  -0.733   1.127
   28    H1*    G   3           H1'        G   3  -8.217  -2.226   1.522
   29    H8     G   3           H8         G   3  -9.099  -2.711  -2.183
   30    H1     G   3           H1         G   3  -3.507  -5.317  -0.347
   31   1H2     G   3          1H2         G   3  -4.581  -4.369   2.724
   32   2H2     G   3          2H2         G   3  -3.284  -5.149   1.859
   33   1H2*    G   3          H2'         G   3 -10.166  -1.354  -0.653
   34   2H2*    G   3          H2''        G   3  -9.101  -0.286   0.270
   35   1H5*    C   4          H5''        C   4 -10.030  -2.080   4.572
   36   2H5*    C   4          H5'         C   4 -11.793  -2.105   4.582
   37    H4*    C   4           H4'        C   4 -11.666  -1.908   7.138
   38    H3*    C   4           H3'        C   4  -8.996  -1.305   7.036
   39    H1*    C   4           H1'        C   4 -10.008  -4.990   7.512
   40   1H4     C   4          1H4         C   4  -9.680  -8.020   1.589
   41   2H4     C   4          2H4         C   4  -9.835  -9.188   2.886
   42    H5     C   4           H5         C   4  -9.475  -5.716   2.123
   43    H6     C   4           H6         C   4  -9.492  -4.022   3.971
   44   1H2*    C   4          H2'         C   4  -8.336  -3.214   5.696
   45   2H2*    C   4          H2''        C   4  -7.980  -3.811   7.304
   46   1H5*    C   5          H5''        C   5  -6.548  -3.656   8.843
   47   2H5*    C   5          H5'         C   5  -5.980  -2.777  10.253
   48    H4*    C   5           H4'        C   5  -4.135  -3.075   8.612
   49    H3*    C   5           H3'        C   5  -4.729  -0.686   9.969
   50    H1*    C   5           H1'        C   5  -3.620  -0.935   6.387
   51   1H4     C   5          1H4         C   5  -8.413   0.697   2.185
   52   2H4     C   5          2H4         C   5  -6.986   0.333   1.226
   53    H5     C   5           H5         C   5  -8.421   0.693   4.479
   54    H6     C   5           H6         C   5  -7.161   0.107   6.540
   55   1H2*    C   5          H2'         C   5  -5.817   0.322   8.106
   56   2H2*    C   5          H2''        C   5  -4.173   0.910   7.831
   57   1H5*    G   6          H5''        G   6  -1.214   2.607  10.165
   58   2H5*    G   6          H5'         G   6  -2.363   1.988   8.997
   59    H4*    G   6           H4'        G   6   0.597   2.160   8.247
   60    H3*    G   6           H3'        G   6  -0.914   4.506   8.870
   61    H1*    G   6           H1'        G   6  -0.387   3.149   5.378
   62    H8     G   6           H8         G   6  -4.129   3.022   6.340
   63    H1     G   6           H1         G   6  -2.774   1.724   0.189
   64   1H2     G   6          1H2         G   6   0.384   1.721   1.316
   65   2H2     G   6          2H2         G   6  -0.603   1.559  -0.115
   66   1H2*    G   6          H2'         G   6  -2.523   4.298   7.220
   67   2H2*    G   6          H2''        G   6  -1.305   5.152   6.278
   68   1H5*    C 101          H5''        C 101  -4.707   6.292  -3.188
   69   2H5*    C 101          H5'         C 101  -4.902   7.782  -2.280
   70    H4*    C 101           H4'        C 101  -3.052   8.757  -3.926
   71    H3*    C 101           H3'        C 101  -3.026   6.273  -5.099
   72    H1*    C 101           H1'        C 101  -0.605   6.894  -2.058
   73   1H4     C 101          1H4         C 101  -2.532   5.600   3.648
   74   2H4     C 101          2H4         C 101  -4.106   4.915   3.270
   75    H5     C 101           H5         C 101  -4.711   4.828   0.902
   76    H6     C 101           H6         C 101  -3.937   5.402  -1.405
   77    H5T    C 101           H5T        C 101  -5.189   7.484  -5.060
   78   1H2*    C 101          H2'         C 101  -2.674   4.974  -3.139
   79   2H2*    C 101          H2''        C 101  -1.001   5.176  -3.586
   80   1H5*    C 102          H5''        C 102   1.096   5.187  -4.515
   81   2H5*    C 102          H5'         C 102   1.677   4.887  -6.158
   82    H4*    C 102           H4'        C 102   1.891   2.824  -4.844
   83    H3*    C 102           H3'        C 102   0.576   2.845  -7.352
   84    H1*    C 102           H1'        C 102  -0.500   0.848  -4.331
   85   1H4     C 102          1H4         C 102  -5.263   2.332  -0.521
   86   2H4     C 102          2H4         C 102  -6.288   2.783  -1.853
   87    H5     C 102           H5         C 102  -5.431   2.766  -4.068
   88    H6     C 102           H6         C 102  -3.403   2.435  -5.473
   89   1H2*    C 102          H2'         C 102  -1.570   2.837  -6.399
   90   2H2*    C 102          H2''        C 102  -1.364   1.086  -6.581
   91   1H5*    G 103          H5''        G 103   1.300  -0.742  -4.981
   92   2H5*    G 103          H5'         G 103   1.922  -2.129  -5.850
   93    H4*    G 103           H4'        G 103   0.934  -2.780  -3.814
   94    H3*    G 103           H3'        G 103  -0.166  -4.008  -6.218
   95    H1*    G 103           H1'        G 103  -1.381  -3.401  -2.697
   96    H8     G 103           H8         G 103  -4.020  -1.787  -4.973
   97    H1     G 103           H1         G 103  -4.730  -0.678   1.326
   98   1H2     G 103          1H2         G 103  -1.740  -2.246   1.483
   99   2H2     G 103          2H2         G 103  -2.958  -1.454   2.445
  100   1H2*    G 103          H2'         G 103  -2.370  -3.328  -5.574
  101   2H2*    G 103          H2''        G 103  -2.252  -4.760  -4.536
  102   1H5*    C 104          H5''        C 104   2.299  -4.301  -3.335
  103   2H5*    C 104          H5'         C 104   3.237  -4.314  -4.816
  104    H4*    C 104           H4'        C 104   5.134  -5.375  -3.564
  105    H3*    C 104           H3'        C 104   3.522  -6.337  -1.591
  106    H1*    C 104           H1'        C 104   5.290  -3.006  -0.948
  107   1H4     C 104          1H4         C 104   1.005   1.977  -1.992
  108   2H4     C 104          2H4         C 104   2.568   2.583  -1.471
  109    H5     C 104           H5         C 104   0.670  -0.378  -2.113
  110    H6     C 104           H6         C 104   1.769  -2.606  -1.974
  111   1H2*    C 104          H2'         C 104   2.504  -4.247  -1.033
  112   2H2*    C 104          H2''        C 104   3.704  -4.317   0.209
  113   1H5*    C 105          H5''        C 105   4.622  -4.660   1.980
  114   2H5*    C 105          H5'         C 105   5.170  -5.987   2.973
  115    H4*    C 105           H4'        C 105   3.056  -4.959   3.865
  116    H3*    C 105           H3'        C 105   3.661  -7.679   3.806
  117    H1*    C 105           H1'        C 105   0.285  -6.309   2.922
  118   1H4     C 105          1H4         C 105  -2.508  -6.230  -2.710
  119   2H4     C 105          2H4         C 105  -1.046  -6.789  -3.525
  120    H5     C 105           H5         C 105   0.897  -7.262  -2.392
  121    H6     C 105           H6         C 105   2.069  -7.240  -0.177
  122   1H2*    C 105          H2'         C 105   2.476  -8.080   1.753
  123   2H2*    C 105          H2''        C 105   1.234  -8.507   2.934
  124   1H5*    G 106          H5''        G 106   1.653 -10.730   6.365
  125   2H5*    G 106          H5'         G 106   1.422  -9.837   4.883
  126    H4*    G 106           H4'        G 106  -0.929 -10.243   6.799
  127    H3*    G 106           H3'        G 106   0.402 -12.318   5.207
  128    H1*    G 106           H1'        G 106  -2.891 -10.446   4.502
  129    H8     G 106           H8         G 106  -0.176 -10.194   1.778
  130    H1     G 106           H1         G 106  -5.857  -7.717   0.109
  131   1H2     G 106          1H2         G 106  -6.619  -8.281   3.340
  132   2H2     G 106          2H2         G 106  -7.250  -7.696   1.816
  133    H3T    G 106           H3T        G 106  -0.983 -12.380   7.069
  134   1H2*    G 106          H2'         G 106  -0.508 -11.822   3.200
  135   2H2*    G 106          H2''        G 106  -1.983 -12.540   3.826
  Start of MODEL    5
    1   1H5*    C   1          H5''        C   1  -8.923 -12.404  -4.722
    2   2H5*    C   1          H5'         C   1  -7.713 -12.300  -3.468
    3    H4*    C   1           H4'        C   1 -10.275 -13.925  -3.048
    4    H3*    C   1           H3'        C   1 -10.538 -11.231  -3.606
    5    H1*    C   1           H1'        C   1 -10.134 -12.456   0.031
    6   1H4     C   1          1H4         C   1  -4.763 -12.012   3.063
    7   2H4     C   1          2H4         C   1  -3.732 -11.742   1.669
    8    H5     C   1           H5         C   1  -4.815 -11.355  -0.458
    9    H6     C   1           H6         C   1  -7.007 -11.482  -1.663
   10    H5T    C   1           H5T        C   1  -8.716 -14.629  -4.707
   11   1H2*    C   1          H2'         C   1  -9.006 -10.459  -1.958
   12   2H2*    C   1          H2''        C   1 -10.475 -10.358  -1.012
   13   1H5*    C   2          H5''        C   2 -12.447 -10.293   0.108
   14   2H5*    C   2          H5'         C   2 -14.005  -9.576  -0.301
   15    H4*    C   2           H4'        C   2 -12.682  -8.009   1.083
   16    H3*    C   2           H3'        C   2 -13.907  -7.212  -1.353
   17    H1*    C   2           H1'        C   2 -10.523  -6.083  -0.057
   18   1H4     C   2          1H4         C   2  -5.616  -7.995  -4.020
   19   2H4     C   2          2H4         C   2  -5.026  -8.026  -2.387
   20    H5     C   2           H5         C   2  -7.888  -7.488  -4.445
   21    H6     C   2           H6         C   2 -10.095  -6.990  -3.437
   22   1H2*    C   2          H2'         C   2 -11.925  -7.204  -2.544
   23   2H2*    C   2          H2''        C   2 -11.851  -5.524  -2.004
   24   1H5*    G   3          H5''        G   3 -12.108  -4.408   1.550
   25   2H5*    G   3          H5'         G   3 -12.931  -2.881   1.798
   26    H4*    G   3           H4'        G   3 -10.622  -2.779   2.412
   27    H3*    G   3           H3'        G   3 -11.658  -0.785   0.586
   28    H1*    G   3           H1'        G   3  -8.216  -2.193   1.175
   29    H8     G   3           H8         G   3  -8.944  -2.867  -2.524
   30    H1     G   3           H1         G   3  -3.515  -5.508  -0.303
   31   1H2     G   3          1H2         G   3  -4.726  -4.429   2.672
   32   2H2     G   3          2H2         G   3  -3.402  -5.272   1.908
   33   1H2*    G   3          H2'         G   3 -10.122  -1.507  -1.102
   34   2H2*    G   3          H2''        G   3  -9.073  -0.367  -0.246
   35   1H5*    C   4          H5''        C   4 -10.008  -1.689   4.212
   36   2H5*    C   4          H5'         C   4 -11.758  -1.817   4.114
   37    H4*    C   4           H4'        C   4 -11.795  -1.255   6.637
   38    H3*    C   4           H3'        C   4  -9.113  -0.685   6.568
   39    H1*    C   4           H1'        C   4 -10.199  -4.275   7.489
   40   1H4     C   4          1H4         C   4  -9.628  -7.974   1.986
   41   2H4     C   4          2H4         C   4  -9.892  -8.985   3.396
   42    H5     C   4           H5         C   4  -9.406  -5.634   2.257
   43    H6     C   4           H6         C   4  -9.499  -3.735   3.895
   44   1H2*    C   4          H2'         C   4  -8.410  -2.758   5.555
   45   2H2*    C   4          H2''        C   4  -8.156  -3.144   7.243
   46   1H5*    C   5          H5''        C   5  -6.817  -2.873   8.780
   47   2H5*    C   5          H5'         C   5  -6.243  -1.842  10.074
   48    H4*    C   5           H4'        C   5  -4.392  -2.494   8.521
   49    H3*    C   5           H3'        C   5  -4.767   0.061   9.605
   50    H1*    C   5           H1'        C   5  -3.692  -0.634   6.075
   51   1H4     C   5          1H4         C   5  -6.981   0.298   0.811
   52   2H4     C   5          2H4         C   5  -8.422   0.762   1.707
   53    H5     C   5           H5         C   5  -8.438   0.988   3.998
   54    H6     C   5           H6         C   5  -7.185   0.555   6.123
   55   1H2*    C   5          H2'         C   5  -5.792   0.948   7.634
   56   2H2*    C   5          H2''        C   5  -4.107   1.372   7.338
   57   1H5*    G   6          H5''        G   6  -0.675   2.786   9.754
   58   2H5*    G   6          H5'         G   6  -1.873   2.328   8.559
   59    H4*    G   6           H4'        G   6   1.114   1.900   8.025
   60    H3*    G   6           H3'        G   6   0.073   4.511   8.292
   61    H1*    G   6           H1'        G   6   0.262   2.743   4.914
   62    H8     G   6           H8         G   6  -3.368   3.154   6.141
   63    H1     G   6           H1         G   6  -2.715   1.513  -0.038
   64   1H2     G   6          1H2         G   6   0.525   1.200   0.813
   65   2H2     G   6          2H2         G   6  -0.612   1.092  -0.507
   66   1H2*    G   6          H2'         G   6  -1.595   4.372   6.689
   67   2H2*    G   6          H2''        G   6  -0.282   4.930   5.654
   68   1H5*    C 101          H5''        C 101  -5.431   6.343  -4.240
   69   2H5*    C 101          H5'         C 101  -4.989   6.184  -2.554
   70    H4*    C 101           H4'        C 101  -3.616   8.289  -4.290
   71    H3*    C 101           H3'        C 101  -3.494   5.667  -5.193
   72    H1*    C 101           H1'        C 101  -0.820   7.126  -2.834
   73   1H4     C 101          1H4         C 101  -2.052   4.679   3.224
   74   2H4     C 101          2H4         C 101  -0.376   5.181   3.019
   75    H5     C 101           H5         C 101  -3.473   4.721   1.266
   76    H6     C 101           H6         C 101  -3.598   5.427  -1.128
   77    H5T    C 101           H5T        C 101  -6.716   7.601  -2.905
   78   1H2*    C 101          H2'         C 101  -2.649   4.727  -3.170
   79   2H2*    C 101          H2''        C 101  -1.120   5.060  -3.970
   80   1H5*    C 102          H5''        C 102   0.669   5.072  -5.254
   81   2H5*    C 102          H5'         C 102   1.042   4.679  -6.932
   82    H4*    C 102           H4'        C 102   1.602   2.769  -5.439
   83    H3*    C 102           H3'        C 102   0.142   2.460  -7.830
   84    H1*    C 102           H1'        C 102  -0.655   0.669  -4.576
   85   1H4     C 102          1H4         C 102  -6.296   2.771  -1.858
   86   2H4     C 102          2H4         C 102  -5.204   2.282  -0.597
   87    H5     C 102           H5         C 102  -5.551   2.779  -4.133
   88    H6     C 102           H6         C 102  -3.623   2.381  -5.653
   89   1H2*    C 102          H2'         C 102  -1.938   2.342  -6.798
   90   2H2*    C 102          H2''        C 102  -1.589   0.614  -6.782
   91   1H5*    G 103          H5''        G 103   1.336  -0.949  -5.319
   92   2H5*    G 103          H5'         G 103   1.977  -2.339  -6.173
   93    H4*    G 103           H4'        G 103   1.188  -2.962  -4.038
   94    H3*    G 103           H3'        G 103   0.077  -4.380  -6.298
   95    H1*    G 103           H1'        G 103  -1.205  -3.678  -2.822
   96    H8     G 103           H8         G 103  -3.802  -2.115  -5.177
   97    H1     G 103           H1         G 103  -4.671  -0.811   1.065
   98   1H2     G 103          1H2         G 103  -1.708  -2.402   1.378
   99   2H2     G 103          2H2         G 103  -2.948  -1.542   2.252
  100   1H2*    G 103          H2'         G 103  -2.125  -3.623  -5.728
  101   2H2*    G 103          H2''        G 103  -2.053  -5.049  -4.688
  102   1H5*    C 104          H5''        C 104   2.369  -4.444  -3.024
  103   2H5*    C 104          H5'         C 104   3.302  -4.178  -4.484
  104    H4*    C 104           H4'        C 104   5.300  -5.237  -3.256
  105    H3*    C 104           H3'        C 104   3.657  -6.141  -1.263
  106    H1*    C 104           H1'        C 104   5.352  -2.702  -0.769
  107   1H4     C 104          1H4         C 104   0.800   1.879  -2.350
  108   2H4     C 104          2H4         C 104   2.237   2.645  -1.691
  109    H5     C 104           H5         C 104   0.678  -0.469  -2.481
  110    H6     C 104           H6         C 104   1.916  -2.604  -2.134
  111   1H2*    C 104          H2'         C 104   2.619  -4.041  -0.763
  112   2H2*    C 104          H2''        C 104   3.861  -4.033   0.449
  113   1H5*    C 105          H5''        C 105   4.431  -4.495   2.316
  114   2H5*    C 105          H5'         C 105   4.989  -5.816   3.305
  115    H4*    C 105           H4'        C 105   2.751  -4.932   4.051
  116    H3*    C 105           H3'        C 105   3.552  -7.611   4.016
  117    H1*    C 105           H1'        C 105   0.169  -6.427   3.006
  118   1H4     C 105          1H4         C 105  -1.023  -6.764  -3.474
  119   2H4     C 105          2H4         C 105  -2.515  -6.327  -2.646
  120    H5     C 105           H5         C 105   0.922  -7.247  -2.317
  121    H6     C 105           H6         C 105   2.054  -7.244  -0.072
  122   1H2*    C 105          H2'         C 105   2.484  -8.067   1.897
  123   2H2*    C 105          H2''        C 105   1.228  -8.575   3.036
  124   1H5*    G 106          H5''        G 106   1.680 -10.696   6.691
  125   2H5*    G 106          H5'         G 106   1.510  -9.868   5.158
  126    H4*    G 106           H4'        G 106  -0.933 -10.375   6.943
  127    H3*    G 106           H3'        G 106   0.586 -12.320   5.316
  128    H1*    G 106           H1'        G 106  -2.799 -10.571   4.621
  129    H8     G 106           H8         G 106  -0.074 -10.362   1.908
  130    H1     G 106           H1         G 106  -5.724  -7.833   0.198
  131   1H2     G 106          1H2         G 106  -6.497  -8.315   3.428
  132   2H2     G 106          2H2         G 106  -7.111  -7.752   1.891
  133    H3T    G 106           H3T        G 106  -0.737 -12.574   7.194
  134   1H2*    G 106          H2'         G 106  -0.397 -11.928   3.339
  135   2H2*    G 106          H2''        G 106  -1.855 -12.652   3.995
  Start of MODEL    6
    1   1H5*    C   1          H5''        C   1  -9.025 -12.159  -5.471
    2   2H5*    C   1          H5'         C   1  -7.632 -12.053  -4.418
    3    H4*    C   1           H4'        C   1 -10.034 -13.750  -3.605
    4    H3*    C   1           H3'        C   1 -10.424 -11.022  -4.111
    5    H1*    C   1           H1'        C   1  -9.528 -12.402  -0.567
    6   1H4     C   1          1H4         C   1  -3.048 -11.000   0.170
    7   2H4     C   1          2H4         C   1  -3.801 -11.712   1.595
    8    H5     C   1           H5         C   1  -4.500 -10.628  -1.755
    9    H6     C   1           H6         C   1  -6.837 -10.939  -2.629
   10    H5T    C   1           H5T        C   1  -8.799 -14.389  -5.499
   11   1H2*    C   1          H2'         C   1  -8.921 -10.162  -2.526
   12   2H2*    C   1          H2''        C   1 -10.274 -10.350  -1.438
   13   1H5*    C   2          H5''        C   2 -12.254 -10.288  -0.331
   14   2H5*    C   2          H5'         C   2 -13.831  -9.579  -0.684
   15    H4*    C   2           H4'        C   2 -12.486  -8.014   0.673
   16    H3*    C   2           H3'        C   2 -13.700  -7.175  -1.784
   17    H1*    C   2           H1'        C   2 -10.372  -6.092  -0.321
   18   1H4     C   2          1H4         C   2  -4.793  -7.852  -2.463
   19   2H4     C   2          2H4         C   2  -5.226  -7.738  -4.144
   20    H5     C   2           H5         C   2  -7.525  -7.196  -4.680
   21    H6     C   2           H6         C   2  -9.796  -6.773  -3.742
   22   1H2*    C   2          H2'         C   2 -11.682  -7.037  -2.930
   23   2H2*    C   2          H2''        C   2 -11.641  -5.405  -2.260
   24   1H5*    G   3          H5''        G   3 -12.128  -4.506   1.411
   25   2H5*    G   3          H5'         G   3 -12.956  -2.985   1.683
   26    H4*    G   3           H4'        G   3 -10.676  -2.987   2.437
   27    H3*    G   3           H3'        G   3 -11.615  -0.821   0.782
   28    H1*    G   3           H1'        G   3  -8.185  -2.333   1.269
   29    H8     G   3           H8         G   3  -9.025  -2.800  -2.456
   30    H1     G   3           H1         G   3  -3.436  -5.353  -0.542
   31   1H2     G   3          1H2         G   3  -4.593  -4.537   2.530
   32   2H2     G   3          2H2         G   3  -3.207  -5.110   1.634
   33   1H2*    G   3          H2'         G   3 -10.042  -1.369  -0.944
   34   2H2*    G   3          H2''        G   3  -9.003  -0.366   0.070
   35   1H5*    C   4          H5''        C   4 -10.267  -2.028   4.258
   36   2H5*    C   4          H5'         C   4 -12.018  -1.830   4.312
   37    H4*    C   4           H4'        C   4 -11.899  -1.680   6.793
   38    H3*    C   4           H3'        C   4  -9.221  -1.115   6.805
   39    H1*    C   4           H1'        C   4 -10.303  -4.742   7.322
   40   1H4     C   4          1H4         C   4  -9.525  -8.076   1.620
   41   2H4     C   4          2H4         C   4  -9.834  -9.166   2.958
   42    H5     C   4           H5         C   4  -9.301  -5.759   2.052
   43    H6     C   4           H6         C   4  -9.476  -3.964   3.801
   44   1H2*    C   4          H2'         C   4  -8.512  -3.046   5.532
   45   2H2*    C   4          H2''        C   4  -8.242  -3.629   7.165
   46   1H5*    C   5          H5''        C   5  -6.902  -3.652   8.736
   47   2H5*    C   5          H5'         C   5  -6.392  -2.778  10.178
   48    H4*    C   5           H4'        C   5  -4.435  -3.134   8.668
   49    H3*    C   5           H3'        C   5  -5.060  -0.750   9.955
   50    H1*    C   5           H1'        C   5  -3.838  -0.971   6.428
   51   1H4     C   5          1H4         C   5  -8.417   0.834   2.072
   52   2H4     C   5          2H4         C   5  -7.006   0.330   1.138
   53    H5     C   5           H5         C   5  -8.505   0.775   4.346
   54    H6     C   5           H6         C   5  -7.346   0.127   6.441
   55   1H2*    C   5          H2'         C   5  -6.104   0.269   8.079
   56   2H2*    C   5          H2''        C   5  -4.466   0.864   7.818
   57   1H5*    G   6          H5''        G   6  -0.080   1.721   9.830
   58   2H5*    G   6          H5'         G   6  -1.489   1.454   8.820
   59    H4*    G   6           H4'        G   6   0.870  -0.445   8.483
   60    H3*    G   6           H3'        G   6   1.551   2.251   8.266
   61    H1*    G   6           H1'        G   6   0.332   0.335   5.188
   62    H8     G   6           H8         G   6  -2.738   2.017   6.812
   63    H1     G   6           H1         G   6  -2.860   1.606   0.390
   64   1H2     G   6          1H2         G   6   0.180   0.224   0.889
   65   2H2     G   6          2H2         G   6  -0.925   0.757  -0.354
   66   1H2*    G   6          H2'         G   6  -0.136   2.902   6.734
   67   2H2*    G   6          H2''        G   6   1.168   2.503   5.610
   68   1H5*    C 101          H5''        C 101  -4.924   5.974  -2.043
   69   2H5*    C 101          H5'         C 101  -5.041   7.527  -1.232
   70    H4*    C 101           H4'        C 101  -3.810   8.533  -3.318
   71    H3*    C 101           H3'        C 101  -3.931   6.026  -4.459
   72    H1*    C 101           H1'        C 101  -0.776   7.036  -2.458
   73   1H4     C 101          1H4         C 101   0.300   4.637   3.126
   74   2H4     C 101          2H4         C 101  -1.356   4.238   3.559
   75    H5     C 101           H5         C 101  -3.055   4.610   1.845
   76    H6     C 101           H6         C 101  -3.458   5.521  -0.440
   77    H5T    C 101           H5T        C 101  -6.045   6.936  -3.794
   78   1H2*    C 101          H2'         C 101  -2.899   4.867  -2.635
   79   2H2*    C 101          H2''        C 101  -1.483   5.111  -3.635
   80   1H5*    C 102          H5''        C 102   0.235   5.182  -5.042
   81   2H5*    C 102          H5'         C 102   0.375   4.865  -6.770
   82    H4*    C 102           H4'        C 102   0.990   2.845  -5.438
   83    H3*    C 102           H3'        C 102  -0.776   2.758  -7.649
   84    H1*    C 102           H1'        C 102  -1.267   0.828  -4.370
   85   1H4     C 102          1H4         C 102  -6.439   3.163  -0.976
   86   2H4     C 102          2H4         C 102  -5.190   2.690   0.142
   87    H5     C 102           H5         C 102  -5.985   3.121  -3.336
   88    H6     C 102           H6         C 102  -4.272   2.637  -5.075
   89   1H2*    C 102          H2'         C 102  -2.726   2.589  -6.410
   90   2H2*    C 102          H2''        C 102  -2.388   0.859  -6.472
   91   1H5*    G 103          H5''        G 103   0.964  -0.847  -5.695
   92   2H5*    G 103          H5'         G 103   1.279  -2.257  -6.691
   93    H4*    G 103           H4'        G 103   0.948  -2.759  -4.354
   94    H3*    G 103           H3'        G 103  -0.445  -4.268  -6.361
   95    H1*    G 103           H1'        G 103  -1.368  -3.422  -2.784
   96    H8     G 103           H8         G 103  -3.956  -1.647  -5.037
   97    H1     G 103           H1         G 103  -4.757  -0.777   1.298
   98   1H2     G 103          1H2         G 103  -1.942  -2.595   1.485
   99   2H2     G 103          2H2         G 103  -3.108  -1.708   2.435
  100   1H2*    G 103          H2'         G 103  -2.585  -3.492  -5.573
  101   2H2*    G 103          H2''        G 103  -2.366  -4.860  -4.478
  102   1H5*    C 104          H5''        C 104   2.209  -4.219  -3.636
  103   2H5*    C 104          H5'         C 104   3.112  -4.345  -5.135
  104    H4*    C 104           H4'        C 104   5.073  -5.172  -3.855
  105    H3*    C 104           H3'        C 104   3.569  -6.122  -1.797
  106    H1*    C 104           H1'        C 104   5.141  -2.677  -1.373
  107   1H4     C 104          1H4         C 104   0.525   2.022  -2.263
  108   2H4     C 104          2H4         C 104   2.062   2.717  -1.777
  109    H5     C 104           H5         C 104   0.343  -0.334  -2.450
  110    H6     C 104           H6         C 104   1.580  -2.498  -2.374
  111   1H2*    C 104          H2'         C 104   2.425  -4.065  -1.326
  112   2H2*    C 104          H2''        C 104   3.658  -3.999  -0.105
  113   1H5*    C 105          H5''        C 105   4.812  -4.065   1.624
  114   2H5*    C 105          H5'         C 105   5.347  -5.301   2.743
  115    H4*    C 105           H4'        C 105   3.238  -4.121   3.530
  116    H3*    C 105           H3'        C 105   3.818  -6.827   3.839
  117    H1*    C 105           H1'        C 105   0.490  -5.560   2.750
  118   1H4     C 105          1H4         C 105  -1.020  -7.011  -3.489
  119   2H4     C 105          2H4         C 105  -2.463  -6.363  -2.700
  120    H5     C 105           H5         C 105   0.972  -7.294  -2.366
  121    H6     C 105           H6         C 105   2.218  -6.912  -0.219
  122   1H2*    C 105          H2'         C 105   2.677  -7.474   1.808
  123   2H2*    C 105          H2''        C 105   1.421  -7.755   3.010
  124   1H5*    G 106          H5''        G 106   1.845  -9.457   6.576
  125   2H5*    G 106          H5'         G 106   1.384  -8.749   5.050
  126    H4*    G 106           H4'        G 106  -0.708  -9.128   7.248
  127    H3*    G 106           H3'        G 106   0.554 -11.363   6.078
  128    H1*    G 106           H1'        G 106  -2.697  -9.941   4.779
  129    H8     G 106           H8         G 106   0.101  -9.417   2.190
  130    H1     G 106           H1         G 106  -5.769  -7.780   0.179
  131   1H2     G 106          1H2         G 106  -6.623  -8.404   3.369
  132   2H2     G 106          2H2         G 106  -7.225  -7.844   1.823
  133    H3T    G 106           H3T        G 106  -2.109 -10.811   6.742
  134   1H2*    G 106          H2'         G 106   0.064 -10.839   3.853
  135   2H2*    G 106          H2''        G 106  -1.342 -11.831   4.230