*HEADER    DNA                                     26-APR-05   1X2Y              
*TITLE     NMR SOLUTION STRUCTURES OF A DNA DODECAMER CONTAINING A               
*TITLE    2 TANDEM GT MISMATCHES USING NOE AND RESIDUAL DIPOLAR                  
*TITLE    3 COUPLINGS                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*AP*CP*TP*GP*TP*GP*CP*AP*GP*TP*C)-3';              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    NMR, RDC, DEOXYRIBONUCLEIC ACID, LIQUID CRYSTAL, TANDEM GT            
*KEYWDS   2 MISMATCHES                                                           
*EXPDTA    NMR                                                                   
*AUTHOR    F.ALVAREZ-SALGADO, H.DESVAUX, Y.BOULARD                               
*REVDAT   1   01-AUG-06 1X2Y    0                                                

assign (resid 2 and name H1') (resid 3 and name H6) 3.50 0.22 0.22 !ADN_aromat_inter_H1p.1 71 6.530 7.585
assign (resid 3 and name H1') (resid 4 and name H6) 3.60 0.22 0.22 !ADN_aromat_inter_H1p.10 76 6.131 7.526
assign (resid 6 and name H1') (resid 7 and name H8) 3.71 0.22 0.22 !ADN_aromat_inter_H1p.11 54 5.904 8.126
assign (resid 8 and name H1') (resid 9 and name H8) 4.07 0.23 0.23 !ADN_aromat_inter_H1p.2 29 5.670 8.441
assign (resid 1 and name H1') (resid 2 and name H8) 4.15 0.22 0.22 !ADN_aromat_inter_H1p.3 28 5.870 8.545
assign (resid 5 and name H1') (resid 6 and name H6) 4.01 0.22 0.22 !ADN_aromat_inter_H1p.4 73 6.313 7.446
assign (resid 9 and name H1') (resid 10 and name H8) 3.89 0.22 0.22 !ADN_aromat_inter_H1p.5 68 6.266 7.872
assign (resid 11 and name H1') (resid 12 and name H6) 4.55 0.24 0.24 !ADN_aromat_inter_H1p.6 69 6.329 7.873
assign (resid 4 and name H1') (resid 5 and name H8) 3.82 0.22 0.22 !ADN_aromat_inter_H1p.8 55 6.018 8.133
assign (resid 7 and name H1') (resid 8 and name H6) 3.73 0.22 0.22 !ADN_aromat_inter_H1p.9 74 6.200 7.455
assign (resid 14 and name H1') (resid 15 and name H6) 3.50 0.22 0.22 !ADN_aromat_inter_H1p.1 71 6.530 7.585
assign (resid 15 and name H1') (resid 16 and name H6) 3.60 0.22 0.22 !ADN_aromat_inter_H1p.10 76 6.131 7.526
assign (resid 18 and name H1') (resid 19 and name H8) 3.71 0.22 0.22 !ADN_aromat_inter_H1p.11 54 5.904 8.126
assign (resid 20 and name H1') (resid 21 and name H8) 4.07 0.23 0.23 !ADN_aromat_inter_H1p.2 29 5.670 8.441
assign (resid 13 and name H1') (resid 14 and name H8) 4.15 0.22 0.22 !ADN_aromat_inter_H1p.3 28 5.870 8.545
assign (resid 17 and name H1') (resid 18 and name H6) 4.01 0.22 0.22 !ADN_aromat_inter_H1p.4 73 6.313 7.446
assign (resid 21 and name H1') (resid 22 and name H8) 3.89 0.22 0.22 !ADN_aromat_inter_H1p.5 68 6.266 7.872
assign (resid 23 and name H1') (resid 24 and name H6) 4.55 0.24 0.24 !ADN_aromat_inter_H1p.6 69 6.329 7.873
assign (resid 16 and name H1') (resid 17 and name H8) 3.82 0.22 0.22 !ADN_aromat_inter_H1p.8 55 6.018 8.133
assign (resid 19 and name H1') (resid 20 and name H6) 3.73 0.22 0.22 !ADN_aromat_inter_H1p.9 74 6.200 7.455
assign (resid 8 and name H2') (resid 9 and name H8) 3.57 0.21 0.21 !ADN_aromat_inter_H2p.1 240 2.063 8.447
assign (resid 10 and name H2') (resid 11 and name H6) 2.78 0.21 0.21 !ADN_aromat_inter_H2p.10 266 2.724 7.507
assign (resid 1 and name H2') (resid 2 and name H8) 4.38 0.22 0.22 !ADN_aromat_inter_H2p.2 237 2.778 8.547
assign (resid 6 and name H2') (resid 7 and name H8) 3.79 0.21 0.21 !ADN_aromat_inter_H2p.3 245 2.415 8.127
assign (resid 9 and name H2') (resid 10 and name H8) 3.92 0.21 0.21 !ADN_aromat_inter_H2p.4 250 3.020 7.879
assign (resid 11 and name H2') (resid 12 and name H6) 4.09 0.22 0.22 !ADN_aromat_inter_H2p.5 254 2.332 7.869
assign (resid 2 and name H2') (resid 3 and name H6) 3.54 0.22 0.22 !ADN_aromat_inter_H2p.6 261 3.040 7.590
assign (resid 4 and name H2') (resid 5 and name H8) 3.47 0.22 0.22 !ADN_aromat_inter_H2p.7 246 2.328 8.137
assign (resid 10 and name H2') (resid 11 and name H6) 2.60 0.21 0.21 !ADN_aromat_inter_H2p.8 266 2.724 7.507
assign (resid 5 and name H2') (resid 6 and name H6) 3.85 0.21 0.21 !ADN_aromat_inter_H2p.9 264 2.835 7.450
assign (resid 20 and name H2') (resid 21 and name H8) 3.57 0.21 0.21 !ADN_aromat_inter_H2p.1 240 2.063 8.447
assign (resid 22 and name H2') (resid 23 and name H6) 2.78 0.21 0.21 !ADN_aromat_inter_H2p.10 266 2.724 7.507
assign (resid 13 and name H2') (resid 14 and name H8) 4.38 0.22 0.22 !ADN_aromat_inter_H2p.2 237 2.778 8.547
assign (resid 18 and name H2') (resid 19 and name H8) 3.79 0.21 0.21 !ADN_aromat_inter_H2p.3 245 2.415 8.127
assign (resid 21 and name H2') (resid 22 and name H8) 3.92 0.21 0.21 !ADN_aromat_inter_H2p.4 250 3.020 7.879
assign (resid 23 and name H2') (resid 24 and name H6) 4.09 0.22 0.22 !ADN_aromat_inter_H2p.5 254 2.332 7.869
assign (resid 14 and name H2') (resid 15 and name H6) 3.54 0.22 0.22 !ADN_aromat_inter_H2p.6 261 3.040 7.590
assign (resid 16 and name H2') (resid 17 and name H8) 3.47 0.22 0.22 !ADN_aromat_inter_H2p.7 246 2.328 8.137
assign (resid 22 and name H2') (resid 23 and name H6) 2.60 0.21 0.21 !ADN_aromat_inter_H2p.8 266 2.724 7.507
assign (resid 17 and name H2') (resid 18 and name H6) 3.85 0.21 0.21 !ADN_aromat_inter_H2p.9 264 2.835 7.450
assign (resid 2 and name H1') (resid 2 and name H8) 3.85 0.23 0.23 !ADN_aromat_intra_H1p.1 25 6.526 8.545
assign (resid 4 and name H1') (resid 4 and name H6) 3.38 0.22 0.22 !ADN_aromat_intra_H1p.10 77 6.018 7.520
assign (resid 11 and name H1') (resid 11 and name H6) 3.85 0.22 0.22 !ADN_aromat_intra_H1p.11 72 6.318 7.488
assign (resid 6 and name H1') (resid 6 and name H6) 4.16 0.23 0.23 !ADN_aromat_intra_H1p.12 78 5.900 7.446
!assign (resid 8 and name H1') (resid 8 and name H6) 4.37 0.22 0.22 !ADN_aromat_intra_H1p.13 79 5.670 7.459
!assign (resid 2 and name H1') (resid 2 and name H2) 3.55 0.23 0.23 !ADN_aromat_intra_H1p.2 26 6.525 8.257
assign (resid 9 and name H1') (resid 9 and name H8) 3.68 0.22 0.22 !ADN_aromat_intra_H1p.3 27 6.261 8.441
!assign (resid 7 and name H1') (resid 7 and name H8) 4.69 0.23 0.23 !ADN_aromat_intra_H1p.5 56 6.196 8.124
!assign (resid 5 and name H1') (resid 5 and name H8) 4.91 0.25 0.25 !ADN_aromat_intra_H1p.6 57 6.309 8.133
assign (resid 10 and name H1') (resid 10 and name H8) 3.38 0.57 0.57 !ADN_aromat_intra_H1p.7 66 6.113 7.868
!assign (resid 12 and name H1') (resid 12 and name H6) 4.24 0.23 0.23 !ADN_aromat_intra_H1p.8 70 6.526 7.868
assign (resid 3 and name H1') (resid 3 and name H6) 3.80 0.22 0.22 !ADN_aromat_intra_H1p.9 75 6.135 7.581
assign (resid 14 and name H1') (resid 14 and name H8) 3.85 0.23 0.23 !ADN_aromat_intra_H1p.1 25 6.526 8.545
assign (resid 16 and name H1') (resid 16 and name H6) 3.38 0.22 0.22 !ADN_aromat_intra_H1p.10 77 6.018 7.520
assign (resid 23 and name H1') (resid 23 and name H6) 3.85 0.22 0.22 !ADN_aromat_intra_H1p.11 72 6.318 7.488
assign (resid 18 and name H1') (resid 18 and name H6) 4.16 0.23 0.23 !ADN_aromat_intra_H1p.12 78 5.900 7.446
!assign (resid 20 and name H1') (resid 20 and name H6) 4.37 0.22 0.22 !ADN_aromat_intra_H1p.13 79 5.670 7.459
!assign (resid 14 and name H1') (resid 14 and name H2) 3.55 0.23 0.23 !ADN_aromat_intra_H1p.2 26 6.525 8.257
assign (resid 21 and name H1') (resid 21 and name H8) 3.68 0.22 0.22 !ADN_aromat_intra_H1p.3 27 6.261 8.441
!assign (resid 19 and name H1') (resid 19 and name H8) 4.69 0.23 0.23 !ADN_aromat_intra_H1p.5 56 6.196 8.124
!assign (resid 17 and name H1') (resid 17 and name H8) 4.91 0.25 0.25 !ADN_aromat_intra_H1p.6 57 6.309 8.133
assign (resid 22 and name H1') (resid 22 and name H8) 3.38 0.57 0.57 !ADN_aromat_intra_H1p.7 66 6.113 7.868
!assign (resid 24 and name H1') (resid 24 and name H6) 4.24 0.23 0.23 !ADN_aromat_intra_H1p.8 70 6.526 7.868
assign (resid 15 and name H1') (resid 15 and name H6) 3.80 0.22 0.22 !ADN_aromat_intra_H1p.9 75 6.135 7.581
assign (resid 8 and name H2'') (resid 9 and name H8) 2.43 0.21 0.21 !ADN_aromat_inter_H2pp.1 239 2.477 8.447
assign (resid 7 and name H2'') (resid 8 and name H6) 2.21 0.21 0.21 !ADN_aromat_inter_H2pp.10 263 2.954 7.481
assign (resid 6 and name H2'') (resid 7 and name H8) 2.74 0.21 0.21 !ADN_aromat_inter_H2pp.3 244 2.576 8.127
assign (resid 9 and name H2'') (resid 10 and name H8) 2.56 0.21 0.21 !ADN_aromat_inter_H2pp.4 249 3.139 7.874
assign (resid 2 and name H2'') (resid 3 and name H6) 2.25 0.21 0.21 !ADN_aromat_inter_H2pp.6 257 3.169 7.585
assign (resid 7 and name H2'') (resid 8 and name H6) 2.07 0.21 0.21 !ADN_aromat_inter_H2pp.8 263 2.954 7.481
assign (resid 5 and name H2'') (resid 6 and name H6) 2.44 0.21 0.21 !ADN_aromat_inter_H2pp.9 262 3.064 7.445
assign (resid 20 and name H2'') (resid 21 and name H8) 2.43 0.21 0.21 !ADN_aromat_inter_H2pp.1 239 2.477 8.447
assign (resid 19 and name H2'') (resid 20 and name H6) 2.21 0.21 0.21 !ADN_aromat_inter_H2pp.10 263 2.954 7.481
assign (resid 18 and name H2'') (resid 19 and name H8) 2.74 0.21 0.21 !ADN_aromat_inter_H2pp.3 244 2.576 8.127
assign (resid 21 and name H2'') (resid 22 and name H8) 2.56 0.21 0.21 !ADN_aromat_inter_H2pp.4 249 3.139 7.874
assign (resid 14 and name H2'') (resid 15 and name H6) 2.25 0.21 0.21 !ADN_aromat_inter_H2pp.6 257 3.169 7.585
assign (resid 19 and name H2'') (resid 20 and name H6) 2.07 0.21 0.21 !ADN_aromat_inter_H2pp.8 263 2.954 7.481
assign (resid 17 and name H2'') (resid 18 and name H6) 2.44 0.21 0.21 !ADN_aromat_inter_H2pp.9 262 3.064 7.445
assign (resid 4 and name H2') (resid 4 and name H6) 2.19 0.21 0.21 !ADN_aromat_intra_H2p.10 269 2.333 7.518
assign (resid 8 and name H2') (resid 8 and name H6) 2.72 0.21 0.21 !ADN_aromat_intra_H2p.12 272 2.070 7.466
assign (resid 9 and name H2') (resid 9 and name H8) 2.36 0.21 0.21 !ADN_aromat_intra_H2p.2 238 3.015 8.447
assign (resid 1 and name H2') (resid 1 and name H8) 2.34 0.21 0.21 !ADN_aromat_intra_H2p.4 243 2.776 8.143
assign (resid 10 and name H2') (resid 10 and name H8) 2.71 0.21 0.21 !ADN_aromat_intra_H2p.6 252 2.742 7.871
assign (resid 12 and name H2*) (resid 12 and name H6) 2.64 0.21 0.21 !ADN_aromat_intra_H2p.7 253 2.518 7.869
assign (resid 3 and name H2') (resid 3 and name H6) 2.51 0.21 0.21 !ADN_aromat_intra_H2p.8 270 2.206 7.583
assign (resid 16 and name H2') (resid 16 and name H6) 2.19 0.21 0.21 !ADN_aromat_intra_H2p.10 269 2.333 7.518
assign (resid 20 and name H2') (resid 20 and name H6) 2.72 0.21 0.21 !ADN_aromat_intra_H2p.12 272 2.070 7.466
assign (resid 21 and name H2') (resid 21 and name H8) 2.36 0.21 0.21 !ADN_aromat_intra_H2p.2 238 3.015 8.447
assign (resid 13 and name H2') (resid 13 and name H8) 2.34 0.21 0.21 !ADN_aromat_intra_H2p.4 243 2.776 8.143
assign (resid 22 and name H2') (resid 22 and name H8) 2.71 0.21 0.21 !ADN_aromat_intra_H2p.6 252 2.742 7.871
assign (resid 24 and name H2*) (resid 24 and name H6) 2.64 0.21 0.21 !ADN_aromat_intra_H2p.7 253 2.518 7.869
assign (resid 15 and name H2') (resid 15 and name H6) 2.51 0.21 0.21 !ADN_aromat_intra_H2p.8 270 2.206 7.583
assign (resid 2 and name H2'') (resid 2 and name H8) 3.36 0.21 0.21 !ADN_aromat_intra_H2pp.1 234 3.162 8.550
assign (resid 6 and name H2'') (resid 6 and name H6) 4.07 0.21 0.21 !ADN_aromat_intra_H2pp.11 267 2.570 7.447
!assign (resid 4 and name H2') (resid 4 and name H6) 3.13 0.30 0.30 !ADN_aromat_intra_H2pp.12 269 2.333 7.518
assign (resid 9 and name H2'') (resid 9 and name H8) 3.15 0.21 0.21 !ADN_aromat_intra_H2pp.2 235 3.139 8.447
assign (resid 5 and name H2'') (resid 5 and name H8) 3.95 0.21 0.21 !ADN_aromat_intra_H2pp.4 241 3.074 8.143
assign (resid 1 and name H2'') (resid 1 and name H8) 3.67 0.21 0.21 !ADN_aromat_intra_H2pp.5 242 2.985 8.143
assign (resid 10 and name H2'') (resid 10 and name H8) 4.17 0.21 0.21 !ADN_aromat_intra_H2pp.6 251 2.945 7.874
assign (resid 12 and name H2*) (resid 12 and name H6) 3.16 0.21 0.21 !ADN_aromat_intra_H2pp.7 253 2.518 7.869
assign (resid 3 and name H2'') (resid 3 and name H6) 3.47 0.21 0.21 !ADN_aromat_intra_H2pp.8 265 2.703 7.580
assign (resid 14 and name H2'') (resid 14 and name H8) 3.36 0.21 0.21 !ADN_aromat_intra_H2pp.1 234 3.162 8.550
assign (resid 18 and name H2'') (resid 18 and name H6) 4.07 0.21 0.21 !ADN_aromat_intra_H2pp.11 267 2.570 7.447
!assign (resid 16 and name H2') (resid 16 and name H6) 3.13 0.30 0.30 !ADN_aromat_intra_H2pp.12 269 2.333 7.518
assign (resid 21 and name H2'') (resid 21 and name H8) 3.15 0.21 0.21 !ADN_aromat_intra_H2pp.2 235 3.139 8.447
assign (resid 17 and name H2'') (resid 17 and name H8) 3.95 0.21 0.21 !ADN_aromat_intra_H2pp.4 241 3.074 8.143
assign (resid 13 and name H2'') (resid 13 and name H8) 3.67 0.21 0.21 !ADN_aromat_intra_H2pp.5 242 2.985 8.143
assign (resid 22 and name H2'') (resid 22 and name H8) 4.17 0.21 0.21 !ADN_aromat_intra_H2pp.6 251 2.945 7.874
assign (resid 24 and name H2*) (resid 24 and name H6) 3.16 0.21 0.21 !ADN_aromat_intra_H2pp.7 253 2.518 7.869
assign (resid 15 and name H2'') (resid 15 and name H6) 3.47 0.21 0.21 !ADN_aromat_intra_H2pp.8 265 2.703 7.580
!assign (resid 2 and name H3') (resid 2 and name H8) 6.30 0.56 0.56 !ADN_aromat_intra_H3p.1 34 4.731 8.548
!assign (resid 6 and name H3') (resid 6 and name H6) 4.04 0.23 0.23 !ADN_aromat_intra_H3p.11 98 4.326 7.448
!assign (resid 9 and name H3') (resid 9 and name H8) 4.64 0.26 0.26 !ADN_aromat_intra_H3p.2 35 4.636 8.444
!assign (resid 1 and name H3') (resid 2 and name H8) 5.24 0.28 0.28 !ADN_aromat_intra_H3p.3 36 4.454 8.547
!assign (resid 7 and name H3') (resid 7 and name H8) 4.09 0.23 0.23 !ADN_aromat_intra_H3p.5 46 4.349 8.130
!assign (resid 10 and name H3') (resid 10 and name H8) 4.21 0.23 0.23 !ADN_aromat_intra_H3p.6 58 4.266 7.868
!assign (resid 12 and name H3') (resid 12 and name H6) 3.75 0.23 0.23 !ADN_aromat_intra_H3p.7 59 4.437 7.871
!assign (resid 3 and name H3') (resid 3 and name H6) 4.43 0.25 0.25 !ADN_aromat_intra_H3p.8 92 4.551 7.587
!assign (resid 4 and name H3') (resid 4 and name H6) 3.21 0.22 0.22 !ADN_aromat_intra_H3p.9 97 4.355 7.520
!assign (resid 14 and name H3') (resid 14 and name H8) 6.30 0.56 0.56 !ADN_aromat_intra_H3p.1 34 4.731 8.548
!assign (resid 18 and name H3') (resid 18 and name H6) 4.04 0.23 0.23 !ADN_aromat_intra_H3p.11 98 4.326 7.448
!assign (resid 21 and name H3') (resid 21 and name H8) 4.64 0.26 0.26 !ADN_aromat_intra_H3p.2 35 4.636 8.444
!assign (resid 13 and name H3') (resid 13 and name H8) 5.24 0.28 0.28 !ADN_aromat_intra_H3p.3 36 4.454 8.547
!assign (resid 19 and name H3') (resid 19 and name H8) 4.09 0.23 0.23 !ADN_aromat_intra_H3p.5 46 4.349 8.130
!assign (resid 22 and name H3') (resid 22 and name H8) 4.21 0.23 0.23 !ADN_aromat_intra_H3p.6 58 4.266 7.868
!assign (resid 24 and name H3') (resid 24 and name H6) 3.75 0.23 0.23 !ADN_aromat_intra_H3p.7 59 4.437 7.871
!assign (resid 15 and name H3') (resid 15 and name H6) 4.43 0.25 0.25 !ADN_aromat_intra_H3p.8 92 4.551 7.587
!assign (resid 16 and name H3') (resid 16 and name H6) 3.21 0.22 0.22 !ADN_aromat_intra_H3p.9 97 4.355 7.520
assign (resid 2 and name H2') (resid 2 and name H1') 2.95 0.21 0.21 !ADN_H1p_H2p.1 352 3.026 6.534
assign (resid 6 and name H2') (resid 6 and name H1') 3.14 0.21 0.21 !ADN_H1p_H2p.10 375 2.411 5.906
assign (resid 8 and name H2') (resid 8 and name H1') 2.91 0.21 0.21 !ADN_H1p_H2p.11 381 2.057 5.668
assign (resid 7 and name H2') (resid 7 and name H1') 2.84 0.21 0.21 !ADN_H1p_H2p.12 366 2.750 6.198
assign (resid 12 and name H2*) (resid 12 and name H1') 2.37 0.21 0.21 !ADN_H1p_H2p.2 353 2.514 6.531
assign (resid 9 and name H2') (resid 9 and name H1') 3.08 0.21 0.21 !ADN_H1p_H2p.3 356 3.014 6.275
assign (resid 5 and name H2') (resid 5 and name H1') 3.30 0.21 0.21 !ADN_H1p_H2p.4 357 2.838 6.318
assign (resid 11 and name H2') (resid 11 and name H1') 3.13 0.21 0.21 !ADN_H1p_H2p.5 359 2.327 6.321
assign (resid 10 and name H2') (resid 10 and name H1') 2.48 0.21 0.21 !ADN_H1p_H2p.6 367 2.730 6.136
assign (resid 3 and name H2') (resid 3 and name H1') 3.06 0.21 0.21 !ADN_H1p_H2p.7 377 2.208 6.139
assign (resid 4 and name H2') (resid 4 and name H1') 2.93 0.21 0.21 !ADN_H1p_H2p.8 376 2.324 6.022
assign (resid 1 and name H2') (resid 1 and name H1') 3.34 0.21 0.21 !ADN_H1p_H2p.9 370 2.777 5.879
assign (resid 14 and name H2') (resid 14 and name H1') 2.95 0.21 0.21 !ADN_H1p_H2p.1 352 3.026 6.534
assign (resid 18 and name H2') (resid 18 and name H1') 3.14 0.21 0.21 !ADN_H1p_H2p.10 375 2.411 5.906
assign (resid 20 and name H2') (resid 20 and name H1') 2.91 0.21 0.21 !ADN_H1p_H2p.11 381 2.057 5.668
assign (resid 19 and name H2') (resid 19 and name H1') 2.84 0.21 0.21 !ADN_H1p_H2p.12 366 2.750 6.198
assign (resid 24 and name H2*) (resid 24 and name H1') 2.37 0.21 0.21 !ADN_H1p_H2p.2 353 2.514 6.531
assign (resid 21 and name H2') (resid 21 and name H1') 3.08 0.21 0.21 !ADN_H1p_H2p.3 356 3.014 6.275
assign (resid 17 and name H2') (resid 17 and name H1') 3.30 0.21 0.21 !ADN_H1p_H2p.4 357 2.838 6.318
assign (resid 23 and name H2') (resid 23 and name H1') 3.13 0.21 0.21 !ADN_H1p_H2p.5 359 2.327 6.321
assign (resid 22 and name H2') (resid 22 and name H1') 2.48 0.21 0.21 !ADN_H1p_H2p.6 367 2.730 6.136
assign (resid 15 and name H2') (resid 15 and name H1') 3.06 0.21 0.21 !ADN_H1p_H2p.7 377 2.208 6.139
assign (resid 16 and name H2') (resid 16 and name H1') 2.93 0.21 0.21 !ADN_H1p_H2p.8 376 2.324 6.022
assign (resid 13 and name H2') (resid 13 and name H1') 3.34 0.21 0.21 !ADN_H1p_H2p.9 370 2.777 5.879
assign (resid 2 and name H2'') (resid 2 and name H1') 2.32 0.21 0.21 !ADN_H1p_H2pp.1 351 3.165 6.531
assign (resid 6 and name H2'') (resid 6 and name H1') 2.29 0.21 0.21 !ADN_H1p_H2pp.10 371 2.570 5.902
assign (resid 8 and name H2'') (resid 8 and name H1') 2.09 0.21 0.21 !ADN_H1p_H2pp.11 374 2.472 5.668
assign (resid 7 and name H2'') (resid 7 and name H1') 2.14 0.21 0.21 !ADN_H1p_H2pp.12 364 2.972 6.198
assign (resid 12 and name H2*) (resid 12 and name H1') 2.04 0.21 0.21 !ADN_H1p_H2pp.2 353 2.514 6.531
assign (resid 9 and name H2'') (resid 9 and name H1') 2.41 0.21 0.21 !ADN_H1p_H2pp.3 354 3.139 6.272
assign (resid 5 and name H2'') (resid 5 and name H1') 2.50 0.21 0.21 !ADN_H1p_H2pp.4 355 3.057 6.315
assign (resid 11 and name H2'') (resid 11 and name H1') 2.31 0.21 0.21 !ADN_H1p_H2pp.5 358 2.727 6.323
assign (resid 10 and name H2'') (resid 10 and name H1') 2.30 0.21 0.21 !ADN_H1p_H2pp.6 365 2.940 6.122
assign (resid 4 and name H2'') (resid 4 and name H1') 2.16 0.21 0.21 !ADN_H1p_H2pp.8 368 2.690 6.022
assign (resid 1 and name H2'') (resid 1 and name H1') 2.30 0.21 0.21 !ADN_H1p_H2pp.9 369 2.983 5.879
assign (resid 14 and name H2'') (resid 14 and name H1') 2.32 0.21 0.21 !ADN_H1p_H2pp.1 351 3.165 6.531
assign (resid 18 and name H2'') (resid 18 and name H1') 2.29 0.21 0.21 !ADN_H1p_H2pp.10 371 2.570 5.902
assign (resid 20 and name H2'') (resid 20 and name H1') 2.09 0.21 0.21 !ADN_H1p_H2pp.11 374 2.472 5.668
assign (resid 19 and name H2'') (resid 19 and name H1') 2.14 0.21 0.21 !ADN_H1p_H2pp.12 364 2.972 6.198
assign (resid 24 and name H2*) (resid 24 and name H1') 2.04 0.21 0.21 !ADN_H1p_H2pp.2 353 2.514 6.531
assign (resid 21 and name H2'') (resid 21 and name H1') 2.41 0.21 0.21 !ADN_H1p_H2pp.3 354 3.139 6.272
assign (resid 17 and name H2'') (resid 17 and name H1') 2.50 0.21 0.21 !ADN_H1p_H2pp.4 355 3.057 6.315
assign (resid 23 and name H2'') (resid 23 and name H1') 2.31 0.21 0.21 !ADN_H1p_H2pp.5 358 2.727 6.323
assign (resid 22 and name H2'') (resid 22 and name H1') 2.30 0.21 0.21 !ADN_H1p_H2pp.6 365 2.940 6.122
assign (resid 16 and name H2'') (resid 16 and name H1') 2.16 0.21 0.21 !ADN_H1p_H2pp.8 368 2.690 6.022
assign (resid 13 and name H2'') (resid 13 and name H1') 2.30 0.21 0.21 !ADN_H1p_H2pp.9 369 2.983 5.879



!!ADN avec PF1, programme de xwinnmr pour les  de RDC
!!C-H region aromatique

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 1 and name C8  )
	( resid 1 and name H8  )		10.854		2.500		

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 2 and name C8  )
        ( resid 2 and name H8  )         6.875            2.500        


assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 3 and name C6  )
	( resid 3 and name H6  )		8.417		2.500 					

    

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 4 and name C6  )
	( resid 4 and name H6  )		10.647		2.500			

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 5 and name C8  )
	( resid 5 and name H8  )		7.808		2.500			
		
assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 6 and name C6  )
	( resid 6 and name H6  )		14.570		2.500		

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 7 and name C8  )
        ( resid 7 and name H8  )         7.808          2.500          


!assign  ( resid 25 and name OO  )
!	( resid 25 and name Z  )
!	( resid 25 and name X  )
!	( resid 25 and name Y  )
!	( resid 8  and name C6  )
!	( resid 8  and name H6  )	16.877		2.500			

           

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
       ( resid 25 and name Y  )
        ( resid 9 and name C8  )
        ( resid 9 and name H8  )         12.026           2.500           

	

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 10 and name C8  )
	( resid 10 and name H8  )	8.640		2.500		

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 11 and name C6  )
	( resid 11 and name H6  )	7.107		2.500	

assign  ( resid 25 and name OO  )
	( resid 25 and name Z  )
	( resid 25 and name X  )
	( resid 25 and name Y  )
	( resid 12 and name C6  )
	( resid 12 and name H6  )	4.887		2.500		


assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 13 and name C8  )
        ( resid 13 and name H8  )         10.854           2.500           

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 14 and name C8  )
        ( resid 14 and name H8  )         6.875            2.500         



assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 15 and name C6  )
        ( resid 15 and name H6  )         8.417           2.500     


assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 16 and name C6  )
        ( resid 16 and name H6  )         10.647           2.500           

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 17 and name C8  )
        ( resid 17 and name H8  )         7.808          2.500          

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 18 and name C6  )
        ( resid 18 and name H6  )         14.570           2.500         

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 19 and name C8  )
        ( resid 19 and name H8  )         7.808          2.500        


!assign  ( resid 25 and name OO  )
 !       ( resid 25 and name Z  )
  !      ( resid 25 and name X  )
   !     ( resid 25 and name Y  )
    !    ( resid 20 and name C6  )
     !   ( resid 20 and name H6  )         16.877           2.500   


assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
       ( resid 21 and name C8  )
        ( resid 21 and name H8  )         12.026           2.500           


assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 22 and name C8  )
        ( resid 22 and name H8  )        8.640         2.500       

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 23 and name C6  )
        ( resid 23 and name H6  )        7.107           2.500     

assign  ( resid 25 and name OO  )
        ( resid 25 and name Z  )
        ( resid 25 and name X  )
        ( resid 25 and name Y  )
        ( resid 24 and name C6  )
        ( resid 24 and name H6  )        4.887           2.500    


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 1   and name C1' )
       ( resid 1   and name H1' )    4.812		  2.500  

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 2   and name C1' )
       ( resid 2   and name H1' ) 	9.032		 2.500	

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 3   and name C1' )
     !  ( resid 3   and name H1' )     -2.008        2.500       

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 4   and name C1' )
     !  ( resid 4   and name H1' ) 	6.325      2.500        

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 5   and name C1' )
       ( resid 5   and name H1' ) 	7.312        2.500    

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 6   and name C1' )
     !  ( resid 6   and name H1' )    7.767           2.500  


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 7   and name C1' )
       ( resid 7   and name H1' ) 	9.892        2.500      

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 8   and name C1' )
     !  ( resid 8   and name H1' ) 	7.232       2.500    

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 9   and name C1' )
     !  ( resid 9   and name H1' ) 	7.075      2.500    

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 10  and name C1' )
       ( resid 10  and name H1' ) 	6.693        2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 11  and name C1' )
       ( resid 11  and name H1' ) 	5.06       2.500  

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 12  and name C1' )
       ( resid 12  and name H1' ) 	2.589      4.000  


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 13  and name C1' )
       ( resid 13  and name H1' )  	4.812	  2.500  

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 14  and name C1' )
       ( resid 14  and name H1' ) 	9.032	  2.500	

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !   ( resid 25  and name Y   )
    !   ( resid 15  and name C1' )
     !  ( resid 15  and name H1' ) 	-2.008        2.500       

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 16  and name C1' )
     !  ( resid 16  and name H1' ) 	6.325      2.500        

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 17  and name C1' )
      ( resid 17  and name H1' ) 	7.312        2.500     

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 18  and name C1' )
     !  ( resid 18  and name H1' )  	7.767       2.500     


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 19  and name C1' )
       ( resid 19  and name H1' ) 	9.892      2.500    

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !  ( resid 20  and name C1' )
     !  ( resid 20  and name H1' ) 	7.232       2.500  

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 21  and name C1' )
     !  ( resid 21  and name H1' ) 	7.075      2.500   

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 22  and name C1' )
       ( resid 22  and name H1' ) 	6.693       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 23  and name C1' )
       ( resid 23  and name H1' ) 	5.06       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 24  and name C1' )
       ( resid 24  and name H1' ) 	2.589       4.000


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 2  and name C2 )
       ( resid 2  and name H2 ) 	10.377       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 14  and name C2 )
       ( resid 14  and name H2 ) 	10.377       2.500


!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 9  and name C2 )
     !  ( resid 9  and name H2 ) 	13.774       2.500


!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 21  and name C2 )
     !  ( resid 21  and name H2 ) 	13.774       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 3  and name C5  )
       ( resid 3  and name H5  ) 	6.498       2.500



assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 8  and name C5  )
       ( resid 8  and name H5  ) 	12.836       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 12  and name C5 )
       ( resid 12  and name H5 ) 	7.520       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 15  and name C5 )
       ( resid 15  and name H5 ) 	6.498       2.500



assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 20  and name C5 )
       ( resid 20  and name H5 ) 	12.836       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 24  and name C5 )
       ( resid 24  and name H5 ) 	7.520       2.500



assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 1  and name C4' )
       ( resid 1  and name H4' ) 	5.903       2.500


!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 2  and name C4' )
     !  ( resid 2  and name H4' ) 	2.248       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 3  and name C4' )
     !  ( resid 3  and name H4' ) 	-2.396      2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 4  and name C4' )
     !  ( resid 4  and name H4' ) 	5.012       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 5  and name C4' )
     !  ( resid 5  and name H4' ) 	-1.778       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 6  and name C4' )
       ( resid 6  and name H4' ) 	-6.352       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 7  and name C4' )
       ( resid 7  and name H4' ) 	6.797       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !   ( resid 25  and name Y   )
    !   ( resid 8  and name C4' )
     !  ( resid 8  and name H4' ) 	6.384       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !  ( resid 9  and name C4' )
     !  ( resid 9  and name H4' ) 	9.500       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 10  and name C4' )
     !  ( resid 10  and name H4' ) 	11.162       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !  ( resid 11  and name C4' )
     !  ( resid 11  and name H4' ) 	10.038       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 12  and name C4' )
       ( resid 12  and name H4' ) 	5.797       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 13  and name C4' )
       ( resid 13  and name H4' ) 	5.903       2.500


!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !  ( resid 14  and name C4' )
     !  ( resid 14  and name H4' ) 	2.248       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 15  and name C4' )
     !  ( resid 15  and name H4' ) 	-2.396      2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 16  and name C4' )
     !  ( resid 16  and name H4' ) 	5.012       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 17  and name C4' )
     !  ( resid 17  and name H4' ) 	-1.778       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 18  and name C4' )
       ( resid 18  and name H4' ) 	-6.352       2.500

assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 19  and name C4' )
       ( resid 19  and name H4' ) 	6.797       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !  ( resid 20  and name C4' )
     !  ( resid 20  and name H4' ) 	6.384       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 21  and name C4' )
     !  ( resid 21  and name H4' ) 	9.500       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 22  and name C4' )
     !  ( resid 22  and name H4' ) 	11.162       2.500

!assign ( resid 25  and name OO  )
 !      ( resid 25  and name Z   )
  !     ( resid 25  and name X   )
   !    ( resid 25  and name Y   )
    !   ( resid 23  and name C4' )
     !  ( resid 23  and name H4' ) 	10.038       2.500


assign ( resid 25  and name OO  )
       ( resid 25  and name Z   )
       ( resid 25  and name X   )
       ( resid 25  and name Y   )
       ( resid 24  and name C4' )
       ( resid 24  and name H4' ) 	5.797       2.500

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1 -20.757   8.546  -2.053
    2   2H5*    G   1          2H5*        G   1 -20.338   7.362  -3.304
    3    H4*    G   1           H4*        G   1 -19.124   9.413  -3.641
    4    H3*    G   1           H3*        G   1 -17.883   6.983  -3.765
    5    H1*    G   1           H1*        G   1 -16.399  10.045  -2.095
    6    H8     G   1           H8         G   1 -17.823   7.833   0.745
    7    H1     G   1           H1         G   1 -13.218  11.978   2.404
    8   1H2     G   1          2H2         G   1 -12.517  13.079   0.642
    9   2H2     G   1          1H2         G   1 -13.172  12.799  -0.955
   10    H5T    G   1           H5T        G   1 -19.169   7.462  -0.713
   11   1H2*    G   1          1H2*        G   1 -16.886   7.058  -1.568
   12   2H2*    G   1          2H2*        G   1 -15.606   7.800  -2.549
   13   1H5*    A   2          1H5*        A   2 -15.083  10.731  -3.395
   14   2H5*    A   2          2H5*        A   2 -14.940  10.775  -5.163
   15    H4*    A   2           H4*        A   2 -13.026  11.826  -4.686
   16    H3*    A   2           H3*        A   2 -12.419   9.227  -5.369
   17    H1*    A   2           H1*        A   2 -10.759  11.239  -2.587
   18    H8     A   2           H8         A   2 -12.981   8.477  -1.035
   19   1H6     A   2          H62         A   2 -10.008   9.744   4.248
   20   2H6     A   2          H61         A   2 -11.244   8.758   3.499
   21    H2     A   2           H2         A   2  -8.356  12.408   1.042
   22   1H2*    A   2          1H2*        A   2 -11.895   8.448  -3.160
   23   2H2*    A   2          2H2*        A   2 -10.320   9.114  -3.623
   24   1H5*    C   3          1H5*        C   3  -9.156  12.535  -4.815
   25   2H5*    C   3          2H5*        C   3  -8.148  12.377  -6.267
   26    H4*    C   3           H4*        C   3  -6.841  13.374  -4.560
   27    H3*    C   3           H3*        C   3  -5.894  11.158  -5.859
   28    H1*    C   3           H1*        C   3  -5.594  11.707  -2.055
   29   1H4     C   3          H42         C   3  -8.112   7.640   2.077
   30   2H4     C   3          H41         C   3  -9.168   6.950   0.865
   31    H5     C   3           H5         C   3  -9.196   7.697  -1.436
   32    H6     C   3           H6         C   3  -8.211   9.246  -3.042
   33   1H2*    C   3          1H2*        C   3  -6.240   9.551  -4.124
   34   2H2*    C   3          2H2*        C   3  -4.661  10.183  -3.618
   35   1H5*    T   4          1H5*        T   4  -3.041  13.360  -2.800
   36   2H5*    T   4          2H5*        T   4  -1.544  13.572  -3.728
   37    H4*    T   4           H4*        T   4  -0.950  13.419  -1.452
   38    H3*    T   4           H3*        T   4   0.166  11.616  -3.255
   39   1H2*    T   4          1H2*        T   4  -0.856   9.635  -2.418
   40   2H2*    T   4          2H2*        T   4   0.451   9.770  -1.224
   41    H1*    T   4           H1*        T   4  -0.910  10.914   0.361
   42    H3     T   4           H3         T   4  -3.308   7.663   2.248
   43   1H5M    T   4          1H5M        T   4  -5.056   8.180  -2.820
   44   2H5M    T   4          2H5M        T   4  -5.986   7.319  -1.570
   45   3H5M    T   4          3H5M        T   4  -4.596   6.527  -2.349
   46    H6     T   4           H6         T   4  -3.141   9.418  -2.181
   47   1H5*    G   5          1H5*        G   5   1.381  11.554   1.071
   48   2H5*    G   5          2H5*        G   5   3.120  11.905   1.118
   49    H4*    G   5           H4*        G   5   2.778  10.610   2.992
   50    H3*    G   5           H3*        G   5   4.357   9.410   1.015
   51    H1*    G   5           H1*        G   5   1.870   7.788   3.406
   52    H8     G   5           H8         G   5   0.366   7.668  -0.170
   53    H1     G   5           H1         G   5  -2.080   3.536   4.081
   54   1H2     G   5          2H2         G   5  -1.025   3.703   6.001
   55   2H2     G   5          1H2         G   5   0.287   4.833   6.251
   56   1H2*    G   5          1H2*        G   5   2.887   7.604   0.515
   57   2H2*    G   5          2H2*        G   5   3.620   6.939   1.989
   58   1H5*    T   6          1H5*        T   6   4.377   7.751   5.552
   59   2H5*    T   6          2H5*        T   6   6.067   7.275   5.805
   60    H4*    T   6           H4*        T   6   4.466   5.885   7.037
   61    H3*    T   6           H3*        T   6   6.674   4.899   5.653
   62   1H2*    T   6          1H2*        T   6   5.546   3.675   3.968
   63   2H2*    T   6          2H2*        T   6   5.291   2.515   5.289
   64    H1*    T   6           H1*        T   6   3.132   3.297   5.801
   65    H3     T   6           H3         T   6   0.542   1.702   2.553
   66   1H5M    T   6          1H5M        T   6   3.910   5.245   0.273
   67   2H5M    T   6          2H5M        T   6   3.120   3.968  -0.682
   68   3H5M    T   6          3H5M        T   6   2.184   5.381  -0.139
   69    H6     T   6           H6         T   6   4.091   4.887   2.561
   70   1H5*    G   7          1H5*        G   7   3.941   2.099   7.834
   71   2H5*    G   7          2H5*        G   7   4.920   1.843   9.291
   72    H4*    G   7           H4*        G   7   3.712  -0.027   9.430
   73    H3*    G   7           H3*        G   7   6.182  -0.704   8.410
   74    H1*    G   7           H1*        G   7   2.820  -2.132   7.198
   75    H8     G   7           H8         G   7   4.300   0.308   4.567
   76    H1     G   7           H1         G   7  -0.445  -3.511   2.562
   77   1H2     G   7          2H2         G   7  -1.123  -4.807   4.189
   78   2H2     G   7          1H2         G   7  -0.413  -4.750   5.787
   79   1H2*    G   7          1H2*        G   7   5.519  -1.141   6.158
   80   2H2*    G   7          2H2*        G   7   5.099  -2.710   6.875
   81   1H5*    C   8          1H5*        C   8   2.871  -3.703   8.847
   82   2H5*    C   8          2H5*        C   8   3.441  -5.090   9.796
   83    H4*    C   8           H4*        C   8   1.768  -5.834   8.282
   84    H3*    C   8           H3*        C   8   4.311  -7.036   8.268
   85    H1*    C   8           H1*        C   8   1.937  -6.366   5.315
   86   1H4     C   8          H42         C   8   3.964  -3.421   0.101
   87   2H4     C   8          H41         C   8   5.220  -2.580   0.981
   88    H5     C   8           H5         C   8   5.625  -2.918   3.343
   89    H6     C   8           H6         C   8   4.911  -4.130   5.334
   90   1H2*    C   8          1H2*        C   8   4.904  -6.525   6.027
   91   2H2*    C   8          2H2*        C   8   3.754  -7.828   5.654
   92   1H5*    A   9          1H5*        A   9   0.892  -8.753   5.622
   93   2H5*    A   9          2H5*        A   9   0.584 -10.173   6.641
   94    H4*    A   9           H4*        A   9  -0.142 -10.963   4.649
   95    H3*    A   9           H3*        A   9   2.145 -12.214   5.374
   96    H1*    A   9           H1*        A   9   1.550 -10.995   1.815
   97    H8     A   9           H8         A   9   4.232  -8.830   3.536
   98   1H6     A   9          H62         A   9   4.947  -6.139  -1.993
   99   2H6     A   9          H61         A   9   5.505  -6.181  -0.335
  100    H2     A   9           H2         A   9   1.672  -9.182  -2.334
  101   1H2*    A   9          1H2*        A   9   3.652 -10.875   4.043
  102   2H2*    A   9          2H2*        A   9   3.305 -12.212   2.933
  103   1H5*    G  10          1H5*        G  10   0.605 -12.705   1.144
  104   2H5*    G  10          2H5*        G  10   0.003 -14.372   1.218
  105    H4*    G  10           H4*        G  10   0.315 -14.159  -1.010
  106    H3*    G  10           H3*        G  10   2.328 -15.737   0.155
  107    H1*    G  10           H1*        G  10   2.721 -13.163  -2.738
  108    H8     G  10           H8         G  10   4.652 -12.238   0.504
  109    H1     G  10           H1         G  10   6.049  -8.811  -4.734
  110   1H2     G  10          2H2         G  10   4.827  -9.480  -6.435
  111   2H2     G  10          1H2         G  10   3.655 -10.772  -6.292
  112   1H2*    G  10          1H2*        G  10   4.212 -14.454  -0.456
  113   2H2*    G  10          2H2*        G  10   3.871 -15.043  -2.090
  114   1H5*    T  11          1H5*        T  11   1.750 -14.890  -4.166
  115   2H5*    T  11          2H5*        T  11   1.805 -16.357  -5.162
  116    H4*    T  11           H4*        T  11   2.656 -14.489  -6.400
  117    H3*    T  11           H3*        T  11   4.146 -16.866  -6.132
  118   1H2*    T  11          1H2*        T  11   6.035 -15.934  -5.046
  119   2H2*    T  11          2H2*        T  11   6.404 -15.338  -6.677
  120    H1*    T  11           H1*        T  11   5.359 -13.223  -6.308
  121    H3     T  11           H3         T  11   8.620 -11.126  -4.109
  122   1H5M    T  11          1H5M        T  11   8.107 -14.432  -0.625
  123   2H5M    T  11          2H5M        T  11   7.046 -13.105  -0.097
  124   3H5M    T  11          3H5M        T  11   6.340 -14.629  -0.685
  125    H6     T  11           H6         T  11   5.642 -14.652  -2.903
  126   1H5*    C  12          1H5*        C  12   6.106 -13.690  -8.139
  127   2H5*    C  12          2H5*        C  12   5.450 -13.962  -9.764
  128    H4*    C  12           H4*        C  12   7.229 -12.888 -10.502
  129    H3*    C  12           H3*        C  12   8.121 -15.591 -10.319
  130    H1*    C  12           H1*        C  12  10.004 -12.277  -9.474
  131   1H4     C  12          H42         C  12  12.992 -11.877  -3.934
  132   2H4     C  12          H41         C  12  12.083 -13.208  -3.256
  133    H5     C  12           H5         C  12  10.420 -14.438  -4.513
  134    H6     C  12           H6         C  12   9.287 -14.632  -6.657
  135    H3T    C  12           H3T        C  12   9.200 -15.014 -12.125
  136   1H2*    C  12          1H2*        C  12  10.009 -15.252  -8.940
  137   2H2*    C  12          2H2*        C  12  10.657 -14.278 -10.281
  138   1H5*    G  13          1H5*        G  13  21.112  -5.422  -5.670
  139   2H5*    G  13          2H5*        G  13  20.735  -3.691  -5.759
  140    H4*    G  13           H4*        G  13  19.639  -4.908  -7.533
  141    H3*    G  13           H3*        G  13  18.329  -3.027  -6.049
  142    H1*    G  13           H1*        G  13  16.816  -6.345  -7.085
  143    H8     G  13           H8         G  13  17.931  -6.755  -3.400
  144    H1     G  13           H1         G  13  13.345 -10.745  -5.447
  145   1H2     G  13          2H2         G  13  12.826 -10.300  -7.530
  146   2H2     G  13          1H2         G  13  13.599  -9.015  -8.431
  147    H5T    G  13           H5T        G  13  20.585  -4.886  -3.631
  148   1H2*    G  13          1H2*        G  13  17.160  -4.567  -4.602
  149   2H2*    G  13          2H2*        G  13  15.989  -4.384  -5.924
  150   1H5*    A  14          1H5*        A  14  15.633  -5.906  -8.603
  151   2H5*    A  14          2H5*        A  14  15.639  -4.711  -9.914
  152    H4*    A  14           H4*        A  14  13.727  -5.734 -10.456
  153    H3*    A  14           H3*        A  14  13.095  -3.366  -9.197
  154    H1*    A  14           H1*        A  14  11.276  -6.686  -8.730
  155    H8     A  14           H8         A  14  13.270  -5.837  -5.524
  156   1H6     A  14          H62         A  14   9.918 -10.304  -2.849
  157   2H6     A  14          H61         A  14  11.177  -9.115  -2.604
  158    H2     A  14           H2         A  14   8.622  -9.958  -7.128
  159   1H2*    A  14          1H2*        A  14  12.361  -4.312  -7.119
  160   2H2*    A  14          2H2*        A  14  10.854  -4.421  -8.043
  161   1H5*    C  15          1H5*        C  15   9.912  -6.024 -11.370
  162   2H5*    C  15          2H5*        C  15   9.023  -4.868 -12.382
  163    H4*    C  15           H4*        C  15   7.618  -6.732 -11.964
  164    H3*    C  15           H3*        C  15   6.699  -4.207 -11.446
  165    H1*    C  15           H1*        C  15   6.104  -7.220  -9.116
  166   1H4     C  15          H42         C  15   8.132  -7.221  -3.129
  167   2H4     C  15          H41         C  15   9.260  -5.920  -3.435
  168    H5     C  15           H5         C  15   9.505  -4.871  -5.601
  169    H6     C  15           H6         C  15   8.709  -4.846  -7.906
  170   1H2*    C  15          1H2*        C  15   6.848  -4.255  -9.060
  171   2H2*    C  15          2H2*        C  15   5.254  -5.007  -9.264
  172   1H5*    T  16          1H5*        T  16   3.708  -7.813 -10.957
  173   2H5*    T  16          2H5*        T  16   2.301  -7.307 -11.914
  174    H4*    T  16           H4*        T  16   1.502  -8.718 -10.213
  175    H3*    T  16           H3*        T  16   0.494  -6.126 -10.363
  176   1H2*    T  16          1H2*        T  16   1.376  -5.308  -8.309
  177   2H2*    T  16          2H2*        T  16  -0.025  -6.182  -7.653
  178    H1*    T  16           H1*        T  16   1.231  -8.154  -7.190
  179    H3     T  16           H3         T  16   3.355  -7.199  -3.388
  180   1H5M    T  16          1H5M        T  16   5.629  -4.203  -7.220
  181   2H5M    T  16          2H5M        T  16   6.297  -4.348  -5.578
  182   3H5M    T  16          3H5M        T  16   4.947  -3.233  -5.895
  183    H6     T  16           H6         T  16   3.620  -5.395  -7.792
  184   1H5*    G  17          1H5*        G  17  -1.111  -9.034  -7.328
  185   2H5*    G  17          2H5*        G  17  -2.838  -9.240  -7.678
  186    H4*    G  17           H4*        G  17  -2.683  -9.625  -5.408
  187    H3*    G  17           H3*        G  17  -4.134  -7.339  -6.123
  188    H1*    G  17           H1*        G  17  -1.902  -7.904  -3.085
  189    H8     G  17           H8         G  17  -0.114  -5.397  -5.448
  190    H1     G  17           H1         G  17   1.842  -5.435   0.659
  191   1H2     G  17          2H2         G  17   0.638  -6.846   1.837
  192   2H2     G  17          1H2         G  17  -0.653  -7.791   1.129
  193   1H2*    G  17          1H2*        G  17  -2.684  -5.739  -5.116
  194   2H2*    G  17          2H2*        G  17  -3.555  -6.251  -3.657
  195   1H5*    T  18          1H5*        T  18  -4.563  -9.273  -1.719
  196   2H5*    T  18          2H5*        T  18  -6.282  -9.051  -1.340
  197    H4*    T  18           H4*        T  18  -4.825  -8.949   0.631
  198    H3*    T  18           H3*        T  18  -6.949  -7.212   0.147
  199   1H2*    T  18          1H2*        T  18  -5.732  -5.199  -0.133
  200   2H2*    T  18          2H2*        T  18  -5.618  -5.281   1.638
  201    H1*    T  18           H1*        T  18  -3.481  -6.269   1.636
  202    H3     T  18           H3         T  18  -0.697  -2.953   0.609
  203   1H5M    T  18          1H5M        T  18  -3.760  -3.830  -3.744
  204   2H5M    T  18          2H5M        T  18  -2.003  -3.697  -3.997
  205   3H5M    T  18          3H5M        T  18  -2.939  -2.272  -3.484
  206    H6     T  18           H6         T  18  -4.132  -5.147  -1.866
  207   1H5*    G  19          1H5*        G  19  -4.485  -6.793   3.876
  208   2H5*    G  19          2H5*        G  19  -5.592  -7.581   5.016
  209    H4*    G  19           H4*        G  19  -4.457  -6.370   6.508
  210    H3*    G  19           H3*        G  19  -6.858  -5.098   6.047
  211    H1*    G  19           H1*        G  19  -3.460  -3.333   6.435
  212    H8     G  19           H8         G  19  -4.647  -3.228   2.740
  213    H1     G  19           H1         G  19   0.119   0.762   4.320
  214   1H2     G  19          2H2         G  19   0.623   0.551   6.438
  215   2H2     G  19          1H2         G  19  -0.209  -0.573   7.489
  216   1H2*    G  19          1H2*        G  19  -6.033  -3.246   4.785
  217   2H2*    G  19          2H2*        G  19  -5.724  -2.623   6.419
  218   1H5*    C  20          1H5*        C  20  -3.695  -3.335   8.696
  219   2H5*    C  20          2H5*        C  20  -4.382  -2.971  10.290
  220    H4*    C  20           H4*        C  20  -2.626  -1.435   9.849
  221    H3*    C  20           H3*        C  20  -5.200  -0.483  10.463
  222    H1*    C  20           H1*        C  20  -2.579   1.000   8.069
  223   1H4     C  20          H42         C  20  -4.079   2.531   2.122
  224   2H4     C  20          H41         C  20  -5.373   1.355   2.072
  225    H5     C  20           H5         C  20  -5.978  -0.018   3.972
  226    H6     C  20           H6         C  20  -5.466  -0.539   6.297
  227   1H2*    C  20          1H2*        C  20  -5.597   0.711   8.449
  228   2H2*    C  20          2H2*        C  20  -4.468   1.877   9.172
  229   1H5*    A  21          1H5*        A  21  -1.664   2.483   9.987
  230   2H5*    A  21          2H5*        A  21  -1.463   2.782  11.725
  231    H4*    A  21           H4*        A  21  -0.615   4.713  10.915
  232    H3*    A  21           H3*        A  21  -2.996   5.187  12.108
  233    H1*    A  21           H1*        A  21  -2.068   6.753   8.761
  234    H8     A  21           H8         A  21  -4.804   4.084   8.275
  235   1H6     A  21          H62         A  21  -4.966   5.988   2.387
  236   2H6     A  21          H61         A  21  -5.659   4.889   3.558
  237    H2     A  21           H2         A  21  -1.783   8.317   4.520
  238   1H2*    A  21          1H2*        A  21  -4.341   5.192  10.102
  239   2H2*    A  21          2H2*        A  21  -3.949   6.912  10.259
  240   1H5*    G  22          1H5*        G  22  -1.131   8.417   9.542
  241   2H5*    G  22          2H5*        G  22  -0.595   9.550  10.797
  242    H4*    G  22           H4*        G  22  -0.716  10.947   9.024
  243    H3*    G  22           H3*        G  22  -2.870  11.345  10.786
  244    H1*    G  22           H1*        G  22  -2.937  11.499   6.897
  245    H8     G  22           H8         G  22  -5.096   8.655   8.428
  246    H1     G  22           H1         G  22  -5.944   9.843   2.183
  247   1H2     G  22          2H2         G  22  -4.608  11.460   1.524
  248   2H2     G  22          1H2         G  22  -3.495  12.256   2.614
  249   1H2*    G  22          1H2*        G  22  -4.653  10.904   9.305
  250   2H2*    G  22          2H2*        G  22  -4.198  12.447   8.566
  251   1H5*    T  23          1H5*        T  23  -1.913  13.696   7.146
  252   2H5*    T  23          2H5*        T  23  -1.931  15.446   7.439
  253    H4*    T  23           H4*        T  23  -2.617  14.983   5.190
  254    H3*    T  23           H3*        T  23  -4.202  16.562   6.904
  255   1H2*    T  23          1H2*        T  23  -6.142  15.202   6.882
  256   2H2*    T  23          2H2*        T  23  -6.355  15.913   5.269
  257    H1*    T  23           H1*        T  23  -5.274  14.097   4.158
  258    H3     T  23           H3         T  23  -8.635  11.172   4.015
  259   1H5M    T  23          1H5M        T  23  -6.760  11.250   9.082
  260   2H5M    T  23          2H5M        T  23  -7.471   9.772   8.392
  261   3H5M    T  23          3H5M        T  23  -8.519  11.136   8.846
  262    H6     T  23           H6         T  23  -5.886  12.782   7.566
  263   1H5*    C  24          1H5*        C  24  -5.881  15.723   3.100
  264   2H5*    C  24          2H5*        C  24  -5.106  17.025   2.179
  265    H4*    C  24           H4*        C  24  -6.783  16.817   0.761
  266    H3*    C  24           H3*        C  24  -7.774  18.670   2.691
  267    H1*    C  24           H1*        C  24  -9.611  15.757   0.850
  268   1H4     C  24          H42         C  24 -13.029  11.735   4.302
  269   2H4     C  24          H41         C  24 -12.223  12.197   5.784
  270    H5     C  24           H5         C  24 -10.503  13.898   5.869
  271    H6     C  24           H6         C  24  -9.205  15.485   4.559
  272    H3T    C  24           H3T        C  24  -7.519  19.382   0.718
  273   1H2*    C  24          1H2*        C  24  -9.757  17.535   3.290
  274   2H2*    C  24          2H2*        C  24 -10.260  17.781   1.600