*HEADER    DNA                                     26-APR-05   1X2Z              
*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 1X2Z    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 PEG, 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 )		10.642		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 )         3.366            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 )		2.752		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 )		9.716		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 )		2.869		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 )		8.002		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 )         2.869          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 )	8.521		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 )         6.656           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 )	4.485		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 )	1.409		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 )	-0.024		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 )         10.642           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 )         3.366            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 )         2.752           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 )         9.716           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 )         2.869          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 )         8.002           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 )         2.869          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 )         8.521           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 )         6.656           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 )        4.485         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 )        1.409           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 )        -0.024           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'   )    3.850		  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'   ) 	7.265		 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'   )     -8.014        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'   ) 	1.609      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'   ) 	6.291        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'   )    5.534           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'   ) 	7.790        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'   ) 	8.089       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'   ) 	14.834      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'   ) 	5.758        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'   ) 	4.284       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'   ) 	-1.739      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 C1'   )
       ( resid 13  and name H1'   )  	3.850	  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'   ) 	7.265	  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'   ) 	-8.014        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'   ) 	1.609      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'   ) 	6.291        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'   )  	5.534       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'   ) 	7.790      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'   ) 	8.089       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'   ) 	14.834      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'   ) 	5.758       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'   ) 	4.284       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'   ) 	-1.739       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 C2   )
       ( resid 2  and name H2   ) 	2.400       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   ) 	2.400       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   ) 	14.700       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   ) 	14.700       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   ) 	1.232       2.500



assign ( resid 25  and name OO    )
       ( resid 25  and name Z     )
       ( resid 25  and name X     )
       ( resid 25  and name Y     )
       ( resid 8  and name C5   )
       ( resid 8  and name H5   )       14.991       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   ) 	1.959       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   ) 	1.232       2.500



assign ( resid 25  and name OO    )
       ( resid 25  and name Z     )
       ( resid 25  and name X     )
       ( resid 25  and name Y     )
       ( resid 20  and name C5   )
       ( resid 20  and name H5   ) 14.991	       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   ) 	1.959       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'   ) 	4.774       2.500


assign ( resid 25  and name OO    )
       ( resid 25  and name Z     )
       ( resid 25  and name X     )
       ( resid 25  and name Y     )
       ( resid 2  and name C4'   )
       ( resid 2  and name H4'   ) 	-2.205       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'   ) 	-9.141      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'   ) 	-0.492       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'   ) 	-7.161       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'   ) 	-12.830       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'   ) 	5.548       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'   ) 	9.463       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'   ) 	14.201       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'   ) 	13.273       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'   ) 	11.215       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'   ) 	3.456       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'   ) 	4.774       2.500


assign ( resid 25  and name OO    )
       ( resid 25  and name Z     )
       ( resid 25  and name X     )
       ( resid 25  and name Y     )
       ( resid 14  and name C4'   )
       ( resid 14  and name H4'   ) 	-2.205       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'   ) 	-9.141      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'   ) 	-0.492       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'   ) 	-7.161       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'   ) 	-12.830       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'   ) 	5.548       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'   ) 	9.463       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'   ) 	14.201       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'   ) 	13.273       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'   ) 	11.215       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'   ) 	3.456       2.500

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1 -20.274   9.724   0.303
    2   2H5*    G   1          2H5*        G   1 -20.064   8.366  -0.818
    3    H4*    G   1           H4*        G   1 -18.609  10.157  -1.446
    4    H3*    G   1           H3*        G   1 -17.627   7.574  -1.082
    5    H1*    G   1           H1*        G   1 -15.917  10.867  -0.258
    6    H8     G   1           H8         G   1 -16.922   9.194   3.095
    7    H1     G   1           H1         G   1 -12.330  13.662   3.402
    8   1H2     G   1          2H2         G   1 -11.921  14.468   1.403
    9   2H2     G   1          1H2         G   1 -12.760  13.900  -0.023
   10    H5T    G   1           H5T        G   1 -18.622   8.521   1.612
   11   1H2*    G   1          1H2*        G   1 -16.317   8.034   0.866
   12   2H2*    G   1          2H2*        G   1 -15.170   8.572  -0.380
   13   1H5*    A   2          1H5*        A   2 -15.389  10.710  -3.967
   14   2H5*    A   2          2H5*        A   2 -14.983   9.607  -5.296
   15    H4*    A   2           H4*        A   2 -13.522  11.545  -5.243
   16    H3*    A   2           H3*        A   2 -12.611   9.072  -5.764
   17    H1*    A   2           H1*        A   2 -10.816  11.315  -3.163
   18    H8     A   2           H8         A   2 -13.001   8.588  -1.533
   19   1H6     A   2          H62         A   2 -10.034   9.989   3.716
   20   2H6     A   2          H61         A   2 -11.239   8.958   2.980
   21    H2     A   2           H2         A   2  -8.502  12.694   0.479
   22   1H2*    A   2          1H2*        A   2 -11.892   8.479  -3.549
   23   2H2*    A   2          2H2*        A   2 -10.407   9.204  -4.185
   24   1H5*    C   3          1H5*        C   3  -9.456  12.408  -5.147
   25   2H5*    C   3          2H5*        C   3  -8.428  12.368  -6.592
   26    H4*    C   3           H4*        C   3  -7.089  13.149  -4.830
   27    H3*    C   3           H3*        C   3  -6.275  10.871  -6.180
   28    H1*    C   3           H1*        C   3  -5.961  11.501  -2.399
   29   1H4     C   3          H42         C   3  -8.443   7.533   1.852
   30   2H4     C   3          H41         C   3  -9.497   6.803   0.662
   31    H5     C   3           H5         C   3  -9.516   7.468  -1.663
   32    H6     C   3           H6         C   3  -8.551   8.982  -3.312
   33   1H2*    C   3          1H2*        C   3  -6.599   9.296  -4.422
   34   2H2*    C   3          2H2*        C   3  -5.021   9.931  -3.917
   35   1H5*    T   4          1H5*        T   4  -3.244  13.098  -3.251
   36   2H5*    T   4          2H5*        T   4  -1.739  13.134  -4.190
   37    H4*    T   4           H4*        T   4  -1.204  13.073  -1.873
   38    H3*    T   4           H3*        T   4  -0.137  11.163  -3.614
   39   1H2*    T   4          1H2*        T   4  -1.172   9.242  -2.668
   40   2H2*    T   4          2H2*        T   4   0.118   9.437  -1.464
   41    H1*    T   4           H1*        T   4  -1.252  10.684   0.030
   42    H3     T   4           H3         T   4  -3.669   7.526   2.050
   43   1H5M    T   4          1H5M        T   4  -6.381   6.968  -1.645
   44   2H5M    T   4          2H5M        T   4  -5.007   6.443  -2.646
   45   3H5M    T   4          3H5M        T   4  -5.701   8.065  -2.869
   46    H6     T   4           H6         T   4  -3.547   9.154  -2.429
   47   1H5*    G   5          1H5*        G   5   0.879  11.149   0.723
   48   2H5*    G   5          2H5*        G   5   2.565  11.701   0.754
   49    H4*    G   5           H4*        G   5   2.480  10.500   2.677
   50    H3*    G   5           H3*        G   5   3.984   9.221   0.734
   51    H1*    G   5           H1*        G   5   1.633   7.557   3.250
   52    H8     G   5           H8         G   5   0.023   7.410  -0.282
   53    H1     G   5           H1         G   5  -2.356   3.378   4.100
   54   1H2     G   5          2H2         G   5  -1.275   3.591   6.000
   55   2H2     G   5          1H2         G   5   0.040   4.726   6.206
   56   1H2*    G   5          1H2*        G   5   2.487   7.410   0.309
   57   2H2*    G   5          2H2*        G   5   3.312   6.761   1.740
   58   1H5*    T   6          1H5*        T   6   4.194   7.747   5.314
   59   2H5*    T   6          2H5*        T   6   5.900   7.312   5.533
   60    H4*    T   6           H4*        T   6   4.358   5.982   6.901
   61    H3*    T   6           H3*        T   6   6.559   4.957   5.574
   62   1H2*    T   6          1H2*        T   6   5.458   3.685   3.904
   63   2H2*    T   6          2H2*        T   6   5.237   2.542   5.246
   64    H1*    T   6           H1*        T   6   3.051   3.252   5.731
   65    H3     T   6           H3         T   6   0.489   1.631   2.478
   66   1H5M    T   6          1H5M        T   6   3.873   5.160   0.195
   67   2H5M    T   6          2H5M        T   6   3.168   3.823  -0.744
   68   3H5M    T   6          3H5M        T   6   2.161   5.217  -0.287
   69    H6     T   6           H6         T   6   4.009   4.847   2.491
   70   1H5*    G   7          1H5*        G   7   3.887   2.143   7.834
   71   2H5*    G   7          2H5*        G   7   4.884   1.814   9.264
   72    H4*    G   7           H4*        G   7   3.650  -0.054   9.294
   73    H3*    G   7           H3*        G   7   6.161  -0.660   8.275
   74    H1*    G   7           H1*        G   7   2.792  -2.078   7.071
   75    H8     G   7           H8         G   7   4.267   0.353   4.428
   76    H1     G   7           H1         G   7  -0.446  -3.514   2.435
   77   1H2     G   7          2H2         G   7  -1.101  -4.822   4.059
   78   2H2     G   7          1H2         G   7  -0.383  -4.763   5.653
   79   1H2*    G   7          1H2*        G   7   5.513  -1.143   6.033
   80   2H2*    G   7          2H2*        G   7   5.061  -2.695   6.767
   81   1H5*    C   8          1H5*        C   8   2.874  -3.582   8.605
   82   2H5*    C   8          2H5*        C   8   3.366  -4.819   9.777
   83    H4*    C   8           H4*        C   8   1.791  -5.852   8.413
   84    H3*    C   8           H3*        C   8   4.290  -6.986   8.482
   85    H1*    C   8           H1*        C   8   2.176  -6.611   5.293
   86   1H4     C   8          H42         C   8   4.169  -3.415   0.234
   87   2H4     C   8          H41         C   8   5.424  -2.603   1.141
   88    H5     C   8           H5         C   8   5.819  -3.012   3.493
   89    H6     C   8           H6         C   8   5.043  -4.209   5.464
   90   1H2*    C   8          1H2*        C   8   5.039  -6.353   6.303
   91   2H2*    C   8          2H2*        C   8   4.113  -7.802   5.862
   92   1H5*    A   9          1H5*        A   9   1.178  -8.723   5.625
   93   2H5*    A   9          2H5*        A   9   0.761 -10.164   6.572
   94    H4*    A   9           H4*        A   9   0.158 -10.884   4.519
   95    H3*    A   9           H3*        A   9   2.430 -12.163   5.324
   96    H1*    A   9           H1*        A   9   1.864 -10.887   1.792
   97    H8     A   9           H8         A   9   4.661  -8.844   3.488
   98   1H6     A   9          H62         A   9   5.391  -6.144  -2.036
   99   2H6     A   9          H61         A   9   5.990  -6.238  -0.394
  100    H2     A   9           H2         A   9   1.911  -8.960  -2.306
  101   1H2*    A   9          1H2*        A   9   3.978 -10.861   4.015
  102   2H2*    A   9          2H2*        A   9   3.600 -12.167   2.879
  103   1H5*    G  10          1H5*        G  10   0.883 -12.621   1.115
  104   2H5*    G  10          2H5*        G  10   0.234 -14.270   1.189
  105    H4*    G  10           H4*        G  10   0.506 -14.055  -1.044
  106    H3*    G  10           H3*        G  10   2.537 -15.669   0.068
  107    H1*    G  10           H1*        G  10   2.875 -13.056  -2.826
  108    H8     G  10           H8         G  10   4.866 -12.261   0.406
  109    H1     G  10           H1         G  10   6.338  -8.775  -4.772
  110   1H2     G  10          2H2         G  10   5.120  -9.408  -6.491
  111   2H2     G  10          1H2         G  10   3.929 -10.685  -6.374
  112   1H2*    G  10          1H2*        G  10   4.424 -14.459  -0.657
  113   2H2*    G  10          2H2*        G  10   3.961 -14.996  -2.279
  114   1H5*    T  11          1H5*        T  11   1.829 -15.028  -4.309
  115   2H5*    T  11          2H5*        T  11   1.809 -16.568  -5.190
  116    H4*    T  11           H4*        T  11   2.689 -14.874  -6.612
  117    H3*    T  11           H3*        T  11   4.167 -17.214  -6.114
  118   1H2*    T  11          1H2*        T  11   6.048 -16.189  -5.098
  119   2H2*    T  11          2H2*        T  11   6.446 -15.778  -6.779
  120    H1*    T  11           H1*        T  11   5.414 -13.627  -6.656
  121    H3     T  11           H3         T  11   8.593 -11.246  -4.647
  122   1H5M    T  11          1H5M        T  11   8.235 -14.409  -0.974
  123   2H5M    T  11          2H5M        T  11   7.263 -13.005  -0.475
  124   3H5M    T  11          3H5M        T  11   6.461 -14.528  -0.927
  125    H6     T  11           H6         T  11   5.773 -14.787  -3.147
  126   1H5*    C  12          1H5*        C  12   5.923 -14.154  -8.588
  127   2H5*    C  12          2H5*        C  12   5.399 -14.709 -10.189
  128    H4*    C  12           H4*        C  12   7.124 -13.450 -10.854
  129    H3*    C  12           H3*        C  12   8.001 -16.156 -10.734
  130    H1*    C  12           H1*        C  12   9.946 -12.884  -9.832
  131   1H4     C  12          H42         C  12  12.944 -12.683  -4.292
  132   2H4     C  12          H41         C  12  12.049 -14.048  -3.661
  133    H5     C  12           H5         C  12  10.369 -15.220  -4.951
  134    H6     C  12           H6         C  12   9.215 -15.324  -7.090
  135    H3T    C  12           H3T        C  12   7.850 -15.157 -12.627
  136   1H2*    C  12          1H2*        C  12   9.908 -15.867  -9.373
  137   2H2*    C  12          2H2*        C  12  10.549 -14.866 -10.698
  138   1H5*    G  13          1H5*        G  13  21.138  -6.265  -5.465
  139   2H5*    G  13          2H5*        G  13  20.807  -4.526  -5.370
  140    H4*    G  13           H4*        G  13  19.611  -5.531  -7.207
  141    H3*    G  13           H3*        G  13  18.394  -3.813  -5.432
  142    H1*    G  13           H1*        G  13  16.827  -6.960  -6.898
  143    H8     G  13           H8         G  13  17.868  -7.759  -3.257
  144    H1     G  13           H1         G  13  13.277 -11.466  -5.767
  145   1H2     G  13          2H2         G  13  12.817 -10.828  -7.813
  146   2H2     G  13          1H2         G  13  13.625  -9.476  -8.574
  147    H5T    G  13           H5T        G  13  19.523  -6.541  -3.822
  148   1H2*    G  13          1H2*        G  13  17.125  -5.461  -4.234
  149   2H2*    G  13          2H2*        G  13  16.005  -5.120  -5.569
  150   1H5*    A  14          1H5*        A  14  15.466  -5.974  -7.816
  151   2H5*    A  14          2H5*        A  14  16.148  -5.080  -9.188
  152    H4*    A  14           H4*        A  14  14.352  -5.531 -10.356
  153    H3*    A  14           H3*        A  14  13.426  -3.347  -9.090
  154    H1*    A  14           H1*        A  14  11.403  -6.652  -9.050
  155    H8     A  14           H8         A  14  13.235  -5.983  -5.721
  156   1H6     A  14          H62         A  14   9.712 -10.512  -3.403
  157   2H6     A  14          H61         A  14  10.947  -9.326  -3.046
  158    H2     A  14           H2         A  14   8.730 -10.069  -7.761
  159   1H2*    A  14          1H2*        A  14  12.407  -4.430  -7.203
  160   2H2*    A  14          2H2*        A  14  11.044  -4.407  -8.334
  161   1H5*    C  15          1H5*        C  15  10.339  -5.960 -11.395
  162   2H5*    C  15          2H5*        C  15   9.466  -4.840 -12.459
  163    H4*    C  15           H4*        C  15   7.990  -6.596 -11.908
  164    H3*    C  15           H3*        C  15   7.229  -3.989 -11.374
  165    H1*    C  15           H1*        C  15   6.535  -7.047  -9.146
  166   1H4     C  15          H42         C  15   8.391  -7.255  -3.104
  167   2H4     C  15          H41         C  15   9.536  -5.954  -3.338
  168    H5     C  15           H5         C  15   9.829  -4.821  -5.453
  169    H6     C  15           H6         C  15   9.108  -4.723  -7.779
  170   1H2*    C  15          1H2*        C  15   7.305  -4.089  -8.994
  171   2H2*    C  15          2H2*        C  15   5.706  -4.820  -9.238
  172   1H5*    T  16          1H5*        T  16   3.974  -7.486 -11.147
  173   2H5*    T  16          2H5*        T  16   2.575  -6.775 -11.976
  174    H4*    T  16           H4*        T  16   1.815  -8.323 -10.328
  175    H3*    T  16           H3*        T  16   0.855  -5.698 -10.366
  176   1H2*    T  16          1H2*        T  16   1.726  -5.001  -8.265
  177   2H2*    T  16          2H2*        T  16   0.328  -5.912  -7.657
  178    H1*    T  16           H1*        T  16   1.582  -7.905  -7.311
  179    H3     T  16           H3         T  16   3.664  -7.117  -3.446
  180   1H5M    T  16          1H5M        T  16   6.207  -4.209  -7.146
  181   2H5M    T  16          2H5M        T  16   6.716  -4.286  -5.443
  182   3H5M    T  16          3H5M        T  16   5.432  -3.158  -5.938
  183    H6     T  16           H6         T  16   4.059  -5.205  -7.795
  184   1H5*    G  17          1H5*        G  17  -0.610  -8.648  -7.342
  185   2H5*    G  17          2H5*        G  17  -2.279  -8.969  -7.852
  186    H4*    G  17           H4*        G  17  -2.405  -9.429  -5.629
  187    H3*    G  17           H3*        G  17  -3.754  -7.100  -6.293
  188    H1*    G  17           H1*        G  17  -1.713  -7.728  -3.120
  189    H8     G  17           H8         G  17   0.228  -5.261  -5.408
  190    H1     G  17           H1         G  17   2.018  -5.443   0.747
  191   1H2     G  17          2H2         G  17   0.764  -6.858   1.865
  192   2H2     G  17          1H2         G  17  -0.523  -7.769   1.107
  193   1H2*    G  17          1H2*        G  17  -2.286  -5.559  -5.210
  194   2H2*    G  17          2H2*        G  17  -3.265  -6.040  -3.811
  195   1H5*    T  18          1H5*        T  18  -4.460  -9.178  -2.010
  196   2H5*    T  18          2H5*        T  18  -6.192  -8.940  -1.710
  197    H4*    T  18           H4*        T  18  -4.830  -8.995   0.332
  198    H3*    T  18           H3*        T  18  -6.930  -7.250  -0.106
  199   1H2*    T  18          1H2*        T  18  -5.720  -5.223  -0.334
  200   2H2*    T  18          2H2*        T  18  -5.667  -5.328   1.439
  201    H1*    T  18           H1*        T  18  -3.513  -6.264   1.500
  202    H3     T  18           H3         T  18  -0.720  -2.945   0.519
  203   1H5M    T  18          1H5M        T  18  -1.990  -3.578  -4.097
  204   2H5M    T  18          2H5M        T  18  -2.997  -2.213  -3.560
  205   3H5M    T  18          3H5M        T  18  -3.741  -3.799  -3.869
  206    H6     T  18           H6         T  18  -4.102  -5.151  -2.018
  207   1H5*    G  19          1H5*        G  19  -4.588  -6.930   3.768
  208   2H5*    G  19          2H5*        G  19  -5.772  -7.612   4.899
  209    H4*    G  19           H4*        G  19  -4.598  -6.353   6.340
  210    H3*    G  19           H3*        G  19  -7.017  -5.110   5.787
  211    H1*    G  19           H1*        G  19  -3.606  -3.381   6.240
  212    H8     G  19           H8         G  19  -4.719  -3.253   2.524
  213    H1     G  19           H1         G  19   0.010   0.732   4.225
  214   1H2     G  19          2H2         G  19   0.452   0.528   6.356
  215   2H2     G  19          1H2         G  19  -0.415  -0.587   7.388
  216   1H2*    G  19          1H2*        G  19  -6.172  -3.236   4.581
  217   2H2*    G  19          2H2*        G  19  -5.860  -2.642   6.225
  218   1H5*    C  20          1H5*        C  20  -3.895  -3.352   8.377
  219   2H5*    C  20          2H5*        C  20  -4.559  -3.236  10.018
  220    H4*    C  20           H4*        C  20  -2.899  -1.607   9.897
  221    H3*    C  20           H3*        C  20  -5.441  -0.745  10.479
  222    H1*    C  20           H1*        C  20  -3.011   1.099   8.138
  223   1H4     C  20          H42         C  20  -4.367   2.342   2.105
  224   2H4     C  20          H41         C  20  -5.670   1.177   2.074
  225    H5     C  20           H5         C  20  -6.312  -0.128   4.007
  226    H6     C  20           H6         C  20  -5.781  -0.649   6.324
  227   1H2*    C  20          1H2*        C  20  -5.947   0.326   8.404
  228   2H2*    C  20          2H2*        C  20  -5.041   1.644   9.175
  229   1H5*    A  21          1H5*        A  21  -2.149   2.370   9.926
  230   2H5*    A  21          2H5*        A  21  -1.883   2.740  11.641
  231    H4*    A  21           H4*        A  21  -1.119   4.658  10.733
  232    H3*    A  21           H3*        A  21  -3.516   5.107  11.957
  233    H1*    A  21           H1*        A  21  -2.546   6.603   8.601
  234    H8     A  21           H8         A  21  -5.402   4.055   8.127
  235   1H6     A  21          H62         A  21  -5.464   5.931   2.227
  236   2H6     A  21          H61         A  21  -6.224   4.890   3.411
  237    H2     A  21           H2         A  21  -2.098   8.026   4.324
  238   1H2*    A  21          1H2*        A  21  -4.866   5.127   9.961
  239   2H2*    A  21          2H2*        A  21  -4.434   6.841  10.084
  240   1H5*    G  22          1H5*        G  22  -1.609   8.261   9.387
  241   2H5*    G  22          2H5*        G  22  -1.043   9.404  10.620
  242    H4*    G  22           H4*        G  22  -1.108  10.767   8.819
  243    H3*    G  22           H3*        G  22  -3.295  11.255  10.536
  244    H1*    G  22           H1*        G  22  -3.248  11.327   6.632
  245    H8     G  22           H8         G  22  -5.505   8.594   8.209
  246    H1     G  22           H1         G  22  -6.311   9.686   1.941
  247   1H2     G  22          2H2         G  22  -4.961  11.284   1.264
  248   2H2     G  22          1H2         G  22  -3.845  12.086   2.346
  249   1H2*    G  22          1H2*        G  22  -5.056  10.904   9.008
  250   2H2*    G  22          2H2*        G  22  -4.485  12.395   8.243
  251   1H5*    T  23          1H5*        T  23  -2.370  13.447   6.957
  252   2H5*    T  23          2H5*        T  23  -2.044  15.162   7.277
  253    H4*    T  23           H4*        T  23  -2.858  15.103   5.104
  254    H3*    T  23           H3*        T  23  -4.440  16.465   6.992
  255   1H2*    T  23          1H2*        T  23  -6.403  15.160   6.789
  256   2H2*    T  23          2H2*        T  23  -6.585  16.052   5.264
  257    H1*    T  23           H1*        T  23  -5.561  14.357   3.959
  258    H3     T  23           H3         T  23  -8.800  11.348   3.503
  259   1H5M    T  23          1H5M        T  23  -8.875  11.174   8.380
  260   2H5M    T  23          2H5M        T  23  -7.113  11.096   8.621
  261   3H5M    T  23          3H5M        T  23  -7.966   9.742   7.842
  262    H6     T  23           H6         T  23  -6.262  12.814   7.265
  263   1H5*    C  24          1H5*        C  24  -4.813  17.703   2.290
  264   2H5*    C  24          2H5*        C  24  -4.990  19.463   2.433
  265    H4*    C  24           H4*        C  24  -6.176  18.517   0.505
  266    H3*    C  24           H3*        C  24  -7.254  20.422   2.274
  267    H1*    C  24           H1*        C  24  -9.219  17.262   0.846
  268   1H4     C  24          H42         C  24 -11.840  13.768   5.391
  269   2H4     C  24          H41         C  24 -10.854  14.503   6.635
  270    H5     C  24           H5         C  24  -9.218  16.225   6.168
  271    H6     C  24           H6         C  24  -8.211  17.599   4.426
  272    H3T    C  24           H3T        C  24  -6.824  20.618   0.052
  273   1H2*    C  24          1H2*        C  24  -9.221  19.349   2.977
  274   2H2*    C  24          2H2*        C  24  -9.726  19.367   1.271