*HEADER    DNA                                     12-JAN-04   1S37              
*TITLE     ACCOMODATION OF MISPAIR-ALIGNED N3T-ETHYL-N3T DNA                     
*TITLE    2 INTERSTRAND CROSSLINK                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*GP*AP*AP*AP*TP*TP*TP*TP*CP*G)-3';                 
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    INTERSTRAND CROSSLINK, DNA INTERSTRAND CROSS-LINK                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.WEBBA DA SILVA, A.M.NORONHA, D.M.NOLL, P.S.MILLER,                  
*AUTHOR   2 O.M.COLVIN, M.P.GAMCSIK                                              
*REVDAT   1   25-JAN-05 1S37    0                                                


remarks C1
assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  2.712    0.542    0.542
assi (resi  1   and name h3'   and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  2.467    0.493    0.493
assi (resi  1   and name h4'   and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  3.607    0.721    0.721
assi (resi  1   and name h3'   and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  2.842    0.568    0.568
assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h3'   and segi DNA1)  3.230    0.646    0.646
assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h4'   and segi DNA1)  2.745    1.000    1.0 !0.549
assi (resi  1   and name h5    and segi DNA1)
     (resi  1   and name h2''     and segi DNA1)  4.759    0.952    0.952
assi (resi  1   and name h3'   and segi DNA1)
     (resi  1   and name h4'   and segi DNA1)  2.572    0.514    0.514
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h2''     and segi DNA1)  2.609    0.522    0.522
assi (resi  1   and name h4'   and segi DNA1)
     (resi  1   and name h2''     and segi DNA1)  3.169    0.634    0.634 !check
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  2.131    1.000    1.0 !0.426
assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  2.240    0.448    0.448
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h5   and segi DNA1)  2.170    0.434    0.434
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h1'   and segi DNA1)  2.856    0.571    0.571
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h4'   and segi DNA1)  3.896    0.779    0.779
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h3'   and segi DNA1)  3.104    0.621    0.621

remarks G2
assi (resi  2   and name h8    and segi DNA1)
     (resi  2   and name h1'   and segi DNA1)  3.523    0.705    0.705
assi (resi  2   and name h1'   and segi DNA1)
     (resi  2   and name h3'   and segi DNA1)  2.294    1.000    1.0 !0.459
assi (resi  2   and name h8    and segi DNA1)
     (resi  2   and name h3'   and segi DNA1)  3.369    1.000    1.0 !0.674

remarks A3 
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h4'   and segi DNA1)  5.300    1.060    1.060
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h3'   and segi DNA1)  3.305    0.661    0.661
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h1'   and segi DNA1)  3.436    0.687    0.687
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h2''   and segi DNA1)  2.393    0.479    0.479
assi (resi  3   and name h3'   and segi DNA1) 
     (resi  3   and name h2'   and segi DNA1)  2.237    0.447    0.447
assi (resi  3   and name h4'    and segi DNA1)
     (resi  3   and name h2'   and segi DNA1)  2.975    0.595    0.595
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h4'   and segi DNA1)  2.745    0.549    0.549
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h2'   and segi DNA1)  2.555    0.511    0.511
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h2''   and segi DNA1)  2.172    0.800    0.8 !0.434
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h3'   and segi DNA1)  3.546    0.709    0.709

remarks A4
assi (resi  4   and name h2    and segi DNA1)
     (resi  4   and name h1'   and segi DNA1)  4.776    0.955    0.955
assi (resi  4   and name h8    and segi DNA1)
     (resi  4   and name h1'   and segi DNA1)  3.351    0.670    0.670
assi (resi  4   and name h4'    and segi DNA1)
     (resi  4   and name h2'   and segi DNA1)  3.311    0.662    0.662
assi (resi  4   and name h3'   and segi DNA1)
     (resi  4   and name h2'   and segi DNA1)  2.207    0.441    0.441
assi (resi  4   and name h1'   and segi DNA1)
     (resi  4   and name h3'   and segi DNA1)  3.182    0.636    0.636
assi (resi  4   and name h8    and segi DNA1)
     (resi  4   and name h2'   and segi DNA1)  2.140    0.428    0.428
assi (resi  4   and name h8    and segi DNA1)
     (resi  4   and name h3'   and segi DNA1)  3.268    1.300    1.3 !0.654
assi (resi  4   and name h8    and segi DNA1)
     (resi  4   and name h4'   and segi DNA1)  3.896    1.300    1.3 !0.779
assi (resi  4   and name h1'   and segi DNA1)
     (resi  4   and name h2'   and segi DNA1)  2.498    0.500    0.500
assi (resi  4   and name h1'   and segi DNA1)
     (resi  4   and name h4'   and segi DNA1)  2.626    1.000    1.0 !0.525
assi (resi  4   and name h1'   and segi DNA1)
     (resi  4   and name h2''   and segi DNA1)  2.195    0.439    0.439

remarks A5
assi (resi  5   and name h1'   and segi DNA1)
     (resi  5   and name h2''   and segi DNA1)  2.200    0.440    0.440
assi (resi  5   and name h4'   and segi DNA1)
     (resi  5   and name h2''   and segi DNA1)  3.392    0.678    0.678
assi (resi  5   and name h3'   and segi DNA1)
     (resi  5   and name h2''   and segi DNA1)  2.726    0.545    0.545
assi (resi  5   and name h3'   and segi DNA1)
     (resi  5   and name h4'   and segi DNA1)  2.700    0.540    0.540
assi (resi  5   and name h1'   and segi DNA1)
     (resi  5   and name h4'   and segi DNA1)  2.704    0.800    0.8 !0.541
assi (resi  5   and name h4'   and segi DNA1)
     (resi  5   and name h2'   and segi DNA1)  3.090    0.618    0.618
assi (resi  5   and name h1'   and segi DNA1)
     (resi  5   and name h3'   and segi DNA1)  3.628    1.000    1.0 !0.726
assi (resi  5   and name h8    and segi DNA1)
     (resi  5   and name h1'   and segi DNA1)  3.261    0.652    0.652
assi (resi  5   and name h8    and segi DNA1)
     (resi  5   and name h4'   and segi DNA1)  3.739    0.748    0.748
assi (resi  5   and name h8    and segi DNA1)
     (resi  5   and name h3'   and segi DNA1)  3.218    1.300    1.3 !0.644

remarks T7
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h2'   and segi DNA1)  2.522    0.504    0.504
assi (resi  7   and name h2'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  3.497    1.000    1.0 !0.699
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h3'   and segi DNA1)  4.008    0.802    0.802
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h4'   and segi DNA1)  2.353    0.471    0.471
assi (resi  7   and name h2''   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  4.017    1.50     1.5 !0.803
assi (resi  7   and name h6   and segi DNA1)
     (resi  7   and name h2'      and segi DNA1)  3.0      1.00    1.0 !0.4
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h2''   and segi DNA1)  2.184    0.437    0.437
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  4.507    2.000    2.0 !0.901
assi (resi  7   and name h6    and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  2.273    0.455    0.455

remarks T8
assi (resi  8   and name h1'   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  5.264    1.053    1.053
assi (resi  8   and name h1'   and segi DNA1)
     (resi  8   and name h2'   and segi DNA1)  2.494    0.499    0.499
assi (resi  8   and name h1'   and segi DNA1)
     (resi  8   and name h3'   and segi DNA1)  4.537    0.907    0.907
assi (resi  8   and name h2'   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  4.210    0.842    0.842
assi (resi  8   and name h6    and segi DNA1)
     (resi  8   and name h1'   and segi DNA1)  3.038    0.608    0.608
assi (resi  8   and name h6   and segi DNA1)
     (resi  8   and name h2'      and segi DNA1)  3.0       0.40    0.40  !
assi (resi  8   and name h3'      and segi DNA1)
     (resi  8   and name h2'      and segi DNA1)  2.615    0.523    0.523

remarks T9
assi (resi  9   and name h3'   and segi DNA1)
     (resi  9   and name h2''   and segi DNA1)  2.987    0.597    0.597
assi (resi  9   and name h3'   and segi DNA1)
     (resi  9   and name h2'   and segi DNA1)  2.662    0.532    0.532
assi (resi  9   and name h1'   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  5.300    1.060    1.060
assi (resi  9   and name h1'   and segi DNA1)
     (resi  9   and name h2''   and segi DNA1)  2.112    1.000    1.0 !0.422
assi (resi  9   and name h6    and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  2.227    0.445    0.445
assi (resi  9   and name h1'   and segi DNA1)
     (resi  9   and name h2'   and segi DNA1)  2.481    0.496    0.496
assi (resi  9   and name h6    and segi DNA1)
     (resi  9   and name h2'   and segi DNA1)  2.011    1.000    1.0 !0.402
assi (resi  9   and name h6    and segi DNA1)
     (resi  9   and name h2''   and segi DNA1)  2.419    0.800    0.8 !0.484
assi (resi  9   and name h1'   and segi DNA1)
     (resi  9   and name h3'   and segi DNA1)  4.893    1.200    1.2 !0.979
assi (resi  9   and name h2'   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  3.114    1.000    1.0 !0.623
assi (resi  9   and name h2''   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  5.300    1.060    1.060
assi (resi  9   and name h6    and segi DNA1)
     (resi  9   and name h1'   and segi DNA1)  3.108    0.622    0.622
assi (resi  9   and name h6    and segi DNA1)
     (resi  9   and name h3'      and segi DNA1)  2.728    1.000    1.0 !0.546
assi (resi  9   and name h4'   and segi DNA1)
     (resi  9   and name h2'   and segi DNA1)  3.440    0.688    0.688
assi (resi  9   and name h4'   and segi DNA1)
     (resi  9   and name h2''   and segi DNA1)  2.992    0.598    0.598

remarks C10
assi (resi  10  and name h3'   and segi DNA1)
     (resi  10  and name h2''     and segi DNA1)  3.390    0.678    0.678
assi (resi  10  and name h6   and segi DNA1)
     (resi  10  and name h1'   and segi DNA1)  3.126    1.000    1.0 !0.625
assi (resi  10  and name h6   and segi DNA1)
     (resi  10  and name h2'   and segi DNA1)  2.014    0.800    0.8 !0.403
assi (resi  10  and name h4'    and segi DNA1)
     (resi  10  and name h2'   and segi DNA1)  3.468    0.694    0.694
assi (resi  10  and name h1'   and segi DNA1)
     (resi  10  and name h3'   and segi DNA1)  3.506    0.701    0.701
assi (resi  10  and name h1'   and segi DNA1)
     (resi  10  and name h2''   and segi DNA1)  2.137    0.427    0.427
assi (resi  10  and name h1'   and segi DNA1)
     (resi  10  and name h2'   and segi DNA1)  2.738    0.548    0.548
assi (resi  10  and name h3'   and segi DNA1)
     (resi  10  and name h2'   and segi DNA1)  3.660    0.732    0.732

remarks G11
assi (resi  11  and name h8   and segi DNA1)
     (resi  11  and name h1'   and segi DNA1)  3.182    0.636    0.636
assi (resi  11  and name h8   and segi DNA1)
     (resi  11  and name h3'   and segi DNA1)  3.028    1.000    1.0 !0.606
assi (resi  11  and name h8   and segi DNA1)
     (resi  11  and name h2''     and segi DNA1)  2.438    0.488    0.488
assi (resi  11  and name h8   and segi DNA1)
     (resi  11  and name h2'   and segi DNA1)  2.048    0.410    0.410
assi (resi  11  and name h1'   and segi DNA1)
     (resi  11  and name h3'   and segi DNA1)  3.549    0.710    0.710
assi (resi  11  and name h1'   and segi DNA1)
     (resi  11  and name h2''   and segi DNA1)  2.061    0.412    0.412
assi (resi  11  and name h3'   and segi DNA1)
     (resi  11  and name h2''   and segi DNA1)  2.887    0.577    0.577
assi (resi  11  and name h3'   and segi DNA1)
     (resi  11  and name h2'   and segi DNA1)  2.239    0.448    0.448

remarks cross

assi (resi  7   and name h6    and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  2.495    0.499    0.499
assi (resi  6   and name h2'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  2.417    0.483    0.483
assi (resi  6   and name h2'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  2.837    0.567    0.567
assi (resi  5   and name h2    and segi DNA1)
     (resi  6   and name h2''     and segi DNA1)  5.300    1.060    1.060
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h2''     and segi DNA1)  2.969    1.000    1.0 !0.594
assi (resi  6   and name h6    and segi DNA1)
     (resi  5   and name h2''     and segi DNA1)  2.649    0.530    0.530
assi (resi  7   and name h6    and segi DNA1)
     (resi  6   and name h2''     and segi DNA1)  2.436    0.487    0.487
assi (resi  6   and name h3'   and segi DNA1)
     (resi  6   and name h4'   and segi DNA1)  2.811    0.562    0.562
assi (resi  7   and name h6   and segi DNA1)
     (resi  6   and name h6   and segi DNA1)  5.145    1.029    1.029
assi (resi  7   and name h6    and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  4.631    1.200    1.2 !0.926
assi (resi  5   and name h8    and segi DNA1)
     (resi  6   and name h6   and segi DNA1)  3.957    0.791    0.791
assi (resi  6   and name h1'   and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  5.040    1.008    1.008
assi (resi  5   and name h1'   and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  3.595    0.719    0.719
assi (resi  5   and name h2    and segi DNA1)
     (resi  6   and name h1'   and segi DNA1)  3.319    0.664    0.664
assi (resi  6   and name h6    and segi DNA1)
     (resi  5   and name h1'   and segi DNA1)  3.034    0.607    0.607
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h1'   and segi DNA1)  3.300    0.660    0.660
assi (resi  7   and name h6    and segi DNA1)
     (resi  6   and name h3'   and segi DNA1)  3.518    0.704    0.704
assi (resi  6   and name h6    and segi DNA1)
     (resi  5   and name h3'   and segi DNA1)  3.565    1.200    1.2 !0.713
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h3'   and segi DNA1)  3.172    0.634    0.634
assi (resi  6   and name h6    and segi DNA1)
     (resi  5   and name h4'   and segi DNA1)  5.185    1.037    1.037
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h4'   and segi DNA1)  3.436    0.687    0.687
assi (resi  6   and name h6    and segi DNA1)
     (resi  5   and name h2''   and segi DNA1)  2.339    1.000    1.0 !0.468
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  2.336    0.467    0.467
assi (resi  6   and name h6    and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  2.618    0.524    0.524
assi (resi  6   and name h6    and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  2.275    0.455    0.455
assi (resi  5   and name h8    and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  2.578    1.200    1.2 !0.516
assi (resi  6   and name h1'   and segi DNA1)
     (resi  6   and name h2''   and segi DNA1)  2.186    0.437    0.437
assi (resi  6   and name h1'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  4.175    0.835    0.835
assi (resi  6   and name h1'   and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  2.595    0.519    0.519
assi (resi  5   and name h3'   and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  3.965    1.000    1.0 !0.793
assi (resi  6   and name h4'   and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  3.160    0.632    0.632
assi (resi  6   and name h4'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  4.778    0.956    0.956
assi (resi  5   and name h4'   and segi DNA1)
     (resi  6   and name h5#   and segi DNA1)  4.947    0.989    0.989
assi (resi  6   and name h3'   and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  3.366    0.673    0.673
assi (resi  6   and name h3'   and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  2.794    0.559    0.559
assi (resi  6   and name h3'   and segi DNA1)
     (resi  6   and name h2''   and segi DNA1)  3.339    0.668    0.668
assi (resi  6   and name h4'   and segi DNA1)
     (resi  5   and name h2''   and segi DNA1)  3.840    0.768    0.768
assi (resi  6   and name h1'   and segi DNA1)
     (resi  6   and name h3'   and segi DNA1)  2.808    0.562    0.562
assi (resi  6   and name h1'   and segi DNA1)
     (resi  6   and name h4'      and segi DNA1)  2.452    0.490    0.490

remarks sequential NOE

assi (resi  2   and name h1'   and segi DNA1)
     (resi  1   and name h4'   and segi DNA1)  5.300    1.060    1.060
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h6   and segi DNA1)  4.419    0.884    0.884
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h2''     and segi DNA1)  2.779    0.556    0.556
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h1'   and segi DNA1)  3.730    1.000    1.0 !0.746
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  2.818    1.000    1.0 !0.564
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h3'   and segi DNA1)  3.398    0.680    0.680
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h4'   and segi DNA1)  3.830    0.766    0.766
assi (resi  3   and name h8       and segi DNA1)
     (resi  2   and name h1'   and segi DNA1)  2.989    0.598    0.598
assi (resi  3   and name h8    and segi DNA1)
     (resi  2   and name h8   and segi DNA1)  3.641    0.728    0.728
assi (resi  3   and name h8    and segi DNA1)
     (resi  2   and name h3'   and segi DNA1)  3.902    0.780    0.780
assi (resi  2   and name h1'   and segi DNA1)
     (resi  3   and name h4'   and segi DNA1)  5.300    1.060    1.060
assi (resi  3   and name h2    and segi DNA1)
     (resi  4   and name h2   and segi DNA1)  3.433    0.687    0.687
assi (resi  4   and name h8    and segi DNA1)
     (resi  3   and name h1'   and segi DNA1)  3.101    0.620    0.620
assi (resi  4   and name h8    and segi DNA1)
     (resi  3   and name h2'      and segi DNA1)  2.642    0.528    0.528
assi (resi  5   and name h8    and segi DNA1)
     (resi  4   and name h2''   and segi DNA1)  2.313    0.463    0.463
assi (resi  5   and name h8    and segi DNA1)
     (resi  4   and name h1'   and segi DNA1)  2.914    0.583    0.583
assi (resi  5   and name h2    and segi DNA1)
     (resi  4   and name h2   and segi DNA1)  3.287    0.657    0.657
assi (resi  5   and name h8    and segi DNA1)
     (resi  4   and name h3'   and segi DNA1)  3.799    0.760    0.760
assi (resi  5   and name h8    and segi DNA1)
     (resi  4   and name h4'   and segi DNA1)  5.300    1.060    1.060
assi (resi  7   and name h2'   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  2.343    0.469    0.469
assi (resi  7   and name h2''   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  2.464    0.493    0.493
assi (resi  7   and name h6    and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  4.833    0.967    0.967
assi (resi  7   and name h1'   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  3.612    0.722    0.722
assi (resi  7   and name h3'   and segi DNA1)
     (resi  8   and name h5#   and segi DNA1)  5.300    1.060    1.060
assi (resi  8   and name h3'   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  4.308    0.862    0.862
assi (resi  9   and name h6    and segi DNA1)
     (resi  8   and name h2'   and segi DNA1)  2.337    0.467    0.467
assi (resi  8   and name h6    and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  2.412    0.800    0.8 !0.482
assi (resi  9   and name h6    and segi DNA1)
     (resi  8   and name h2''     and segi DNA1)  2.353    0.471    0.471
assi (resi  8   and name h6    and segi DNA1)
     (resi  9   and name h6   and segi DNA1)  4.371    0.874    0.874
assi (resi  8   and name h2'   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  2.681    0.536    0.536
assi (resi  8   and name h2'   and segi DNA1)
     (resi  9   and name h5#   and segi DNA1)  2.278    0.456    0.456
assi (resi  9   and name h6    and segi DNA1)
     (resi  8   and name h1'   and segi DNA1)  3.068    0.800    0.8 !0.614
assi (resi  9   and name h6    and segi DNA1)
     (resi  10  and name h5   and segi DNA1)  3.189    0.638    0.638
assi (resi  9   and name h1'   and segi DNA1)
     (resi  10  and name h2'      and segi DNA1)  4.127    0.825    0.825
assi (resi  10  and name h6   and segi DNA1)
     (resi  9   and name h2'   and segi DNA1)  2.557    0.800    0.8 !0.511
assi (resi  10  and name h6   and segi DNA1)
     (resi  9   and name h2''   and segi DNA1)  2.379    0.476    0.476
assi (resi  11  and name h8   and segi DNA1)
     (resi  10  and name h1'   and segi DNA1)  3.367    0.673    0.673
assi (resi  11  and name h8   and segi DNA1)
     (resi  10  and name h3'      and segi DNA1)  4.026    0.805    0.805
assi (resi  11  and name h8   and segi DNA1)
     (resi  10  and name h2'   and segi DNA1)  2.988    0.598    0.598

remarks close to diagonal

assi (resi 1  and  name  h4' and segi DNA1)
     (resi 1  and  name  h5'' and segi DNA1)   3.0   1.0   1.0
assi (resi 1  and  name  h4' and segi DNA1)
     (resi 1  and  name  h5' and segi DNA1)   3.0   1.0   1.0
assi (resi 3  and  name  h2  and segi DNA1)
     (resi 4  and  name  h2  and segi DNA1)   3.0   0.8   0.8
assi (resi 1  and  name  h5  and segi DNA1)
     (resi 1  and  name  h1' and segi DNA1)   4.0   1.2   1.2
assi (resi 9  and  name  h1' and segi DNA1)
     (resi 10 and  name  h5  and segi DNA1)   4.0   1.2   1.2
assi (resi 5  and  name  h1'  and segi DNA1)
     (resi 6  and  name  h1'  and segi DNA1)   4.0   1.2   1.2

remarks overlaping peaks

assi (resi 4  and  name  h4' and segi DNA1)
     (resi 4  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 3  and  name  h4' and segi DNA1)
     (resi 3  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 4  and  name  h3' and segi DNA1)
     (resi 4  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 3  and  name  h3' and segi DNA1)
     (resi 3  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 3  and  name  h3' and segi DNA1)
     (resi 3  and  name  h2' and segi DNA1)   3.0   1.0   1.0
assi (resi 2  and  name  h1' and segi DNA1)
     (resi 2  and  name  h2' and segi DNA1)   3.0   1.0   1.0
assi (resi 2  and  name  h1' and segi DNA1)
     (resi 2  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 5  and  name  h3' and segi DNA1)
     (resi 5  and  name  h2' and segi DNA1)   3.0   1.0   1.0
assi (resi 5  and  name  h3' and segi DNA1)
     (resi 5  and  name  h2'' and segi DNA1)   4.0   1.2   1.2
assi (resi 5  and  name  h1' and segi DNA1)
     (resi 5  and  name  h2' and segi DNA1)   3.0   1.0   1.0
assi (resi 11  and  name  h1' and segi DNA1)
     (resi 11  and  name  h2' and segi DNA1)   3.0   1.0   1.0
assi (resi 8  and  name  h1' and segi DNA1)
     (resi 8  and  name  h2'' and segi DNA1)   3.0   1.0   1.0
assi (resi 3  and  name  h4' and segi DNA1)
     (resi 3  and  name  h5' and segi DNA1)   4.0   1.2   1.2
assi (resi 3  and  name  h4' and segi DNA1)
     (resi 3  and  name  h5'' and segi DNA1)   4.0   1.2   1.2
assi (resi 4  and  name  h4' and segi DNA1)
     (resi 4  and  name  h5' and segi DNA1)   4.0   1.2   1.2
assi (resi 4  and  name  h4' and segi DNA1)
     (resi 4  and  name  h5'' and segi DNA1)   4.0   1.2   1.2
assi (resi 4  and  name  h3' and segi DNA1)
     (resi 4  and  name  h5' and segi DNA1)   4.0   1.2   1.2
assi (resi 4  and  name  h3' and segi DNA1)
     (resi 4  and  name  h5'' and segi DNA1)   4.0   1.2   1.2
assi (resi 3  and  name  h3' and segi DNA1)
     (resi 3  and  name  h5' and segi DNA1)   4.0   1.2   1.2
assi (resi 3  and  name  h3' and segi DNA1)
     (resi 3  and  name  h5'' and segi DNA1)   4.0   1.2   1.2
assi (resi 10  and  name  h1' and segi DNA1)
     (resi 10  and  name  h4' and segi DNA1)   4.0   1.2   1.2
assi (resi 6  and  name  h1'  and segi DNA1)
     (resi 6  and  name  h5'  and segi DNA1)   4.0   1.6   1.6
assi (resi 6  and  name  h1'  and segi DNA1)
     (resi 6  and  name  h5'' and segi DNA1)   4.0   1.6   1.6
assi (resi 4  and  name  h1'  and segi DNA1)
     (resi 4  and  name  h5'  and segi DNA1)   4.0   1.2   1.2
assi (resi 4  and  name  h1'  and segi DNA1)
     (resi 4  and  name  h5'' and segi DNA1)   4.0   1.2   1.2 
assi (resi 4  and  name  h3' and segi DNA1)
     (resi 4  and  name  h4' and segi DNA1)   3.0   0.9   0.9
assi (resi 3  and  name  h3' and segi DNA1)
     (resi 3  and  name  h4' and segi DNA1)   3.0   0.9   0.9
assi (resi 3  and  name  h8  and segi DNA1)
     (resi 3  and  name  h2' and segi DNA1)   3.0   0.9   0.9
assi (resi 2  and  name  h8  and segi DNA1)
     (resi 2  and  name  h2' and segi DNA1)   3.0   0.9   0.9
assi (resi 2  and  name  h8  and segi DNA1)
     (resi 2  and  name  h2'' and segi DNA1)   3.0   0.9   0.9
assi (resi 4  and  name  h8   and segi DNA1)
     (resi 3  and  name  h2'' and segi DNA1)   3.0   0.9   0.9
assi (resi 4  and  name  h8   and segi DNA1)
     (resi 4  and  name  h2'' and segi DNA1)   3.0   0.9   0.9
assi (resi 10 and  name  h6  and segi DNA1)
     (resi 10 and  name  h5  and segi DNA1)   3.0   1.0   1.0
assi (resi 10 and  name  h6  and segi DNA1)
     (resi 10 and  name  h3' and segi DNA1)   4.0   1.2   1.2
assi (resi 10 and  name  h6  and segi DNA1)
     (resi 9  and  name  h3' and segi DNA1)   3.0   1.0   1.0
assi (resi 8  and  name  h6  and segi DNA1)
     (resi 7  and  name  h3' and segi DNA1)   3.0   1.3   1.3
assi (resi 5  and  name  h2  and segi DNA1)
     (resi 8  and  name  h1' and segi DNA2)   3.0   1.0   1.0
assi (resi 5  and  name  h2  and segi DNA2)
     (resi 8  and  name  h1' and segi DNA1)   3.0   1.0   1.0
assi (resi 4  and  name  h2  and segi DNA1)
     (resi 9  and  name  h1' and segi DNA2)   4.0   1.0   1.0
assi (resi 4  and  name  h2  and segi DNA2)
     (resi 9  and  name  h1' and segi DNA1)   4.0   1.0   1.0
assi (resi 5  and  name  h2  and segi DNA1)
     (resi 5  and  name  h1' and segi DNA1)   4.0   1.0   1.0
assi (resi 10 and  name  h6  and segi DNA1)
     (resi 9  and  name  h1' and segi DNA1)   3.0   1.0   1.0
assi (resi 7  and  name  h6  and segi DNA1)
     (resi 7  and  name  h1' and segi DNA1)   3.0   1.0   1.0
assi (resi 8  and  name  h6  and segi DNA1)
     (resi 7  and  name  h1' and segi DNA1)   3.0   1.0   1.0
assi (resi 7  and  name  h6  and segi DNA1)
     (resi 6  and  name  h1' and segi DNA1)   3.0   1.0   1.0

remarks long range

assi (resi 5  and  name  h2  and segi DNA1)
     (resi 7  and  name  h1' and segi DNA2)   5.0   1.2   1.2
assi (resi 5  and  name  h2  and segi DNA2)
     (resi 7  and  name  h1' and segi DNA1)   5.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA1)
     (resi 10 and  name  h1' and segi DNA2)   4.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA2)
     (resi 10 and  name  h1' and segi DNA1)   4.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA1)
     (resi 9  and  name  h1' and segi DNA2)   5.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA2)
     (resi 9  and  name  h1' and segi DNA1)   5.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA1)
     (resi 3  and  name  h1' and segi DNA1)   5.0   1.2   1.2
assi (resi 3  and  name  h2  and segi DNA1)
     (resi 4  and  name  h1' and segi DNA1)   5.0   1.2   1.2


remarks mg4stRB.noe

assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h5'      and segi DNA1)  4.490    1.998    1.998
assi (resi  1   and name h1'   and segi DNA1)
     (resi  1   and name h5''     and segi DNA1)  3.135    1.827    1.827

remarks worst

assi (resi  6   and name h5''     and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  3.269    1.854    1.854
assi (resi  6   and name h5'      and segi DNA1)
     (resi  6   and name h2'   and segi DNA1)  3.269    1.854    1.854
assi (resi  1   and name h5'      and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  2.985    1.897    1.897
assi (resi  1   and name h5''     and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  2.985    1.897    1.897
assi (resi  2   and name h1'   and segi DNA1)
     (resi  3   and name h5'      and segi DNA1)  3.802    1.960    1.960
assi (resi  2   and name h1'   and segi DNA1)
     (resi  3   and name h5''     and segi DNA1)  3.802    1.960    1.960
assi (resi  2   and name h1'   and segi DNA1)
     (resi  3   and name h5'      and segi DNA1)  3.019    1.804    1.804
assi (resi  2   and name h1'   and segi DNA1)
     (resi  3   and name h5''     and segi DNA1)  3.019    1.804    1.804
assi (resi  6   and name h1'   and segi DNA1)
     (resi  7   and name h5'      and segi DNA1)  2.452    1.790    1.790
assi (resi  6   and name h1'   and segi DNA1)
     (resi  7   and name h5''     and segi DNA1)  2.452    1.790    1.790
assi (resi  10  and name h1'   and segi DNA1)
     (resi  10  and name h5'      and segi DNA1)  3.148    1.830    1.830
assi (resi  10  and name h1'   and segi DNA1)
     (resi  10  and name h5''     and segi DNA1)  3.148    1.830    1.830
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h5'      and segi DNA1)  5.203    2.141    2.141
assi (resi  3   and name h1'   and segi DNA1)
     (resi  3   and name h5''     and segi DNA1)  5.203    2.141    2.141
assi (resi  1   and name h6    and segi DNA1)
     (resi  1   and name h5''     and segi DNA1)  2.985    1.897    1.897
assi (resi  1   and name h5'      and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  3.888    1.978    1.978
assi (resi  1   and name h5'      and segi DNA1)
     (resi  1   and name h2''   and segi DNA1)  3.888    1.978    1.978
assi (resi  1   and name h5''     and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  3.288    1.858    1.858
assi (resi  1   and name h5''     and segi DNA1)
     (resi  1   and name h2''     and segi DNA1)  3.288    1.858    1.858
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h5'      and segi DNA1)  3.649    1.930    1.930
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h5''     and segi DNA1)  3.649    1.930    1.930
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h5''     and segi DNA1)  3.012    1.802    1.802
assi (resi  7   and name h1'   and segi DNA1)
     (resi  7   and name h5'      and segi DNA1)  3.012    1.802    1.802
assi (resi  6   and name h4'   and segi DNA1)
     (resi  6   and name h2'      and segi DNA1)  2.771    1.854    1.854
assi (resi  6   and name h4'   and segi DNA1)
     (resi  6   and name h2''     and segi DNA1)  2.771    1.854    1.854
assi (resi  6   and name h5'      and segi DNA1)
     (resi  6   and name h2''   and segi DNA1)  2.557    1.811    1.811
assi (resi  6   and name h5''     and segi DNA1)
     (resi  6   and name h2''   and segi DNA1)  2.557    1.811    1.811
assi (resi  1   and name h5    and segi DNA1)
     (resi  1   and name h5''     and segi DNA1)  5.124    2.125    2.125
assi (resi  1   and name h3'   and segi DNA1)
     (resi  1   and name h5'      and segi DNA1)  2.827    1.865    1.865
assi (resi  1   and name h3'   and segi DNA1)
     (resi  1   and name h5''     and segi DNA1)  2.827    1.865    1.865
assi (resi  6   and name h5'      and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  3.868    1.974    1.974
assi (resi  6   and name h5''     and segi DNA1)
     (resi  7   and name h5#   and segi DNA1)  3.868    1.974    1.974
assi (resi  1   and name h5''      and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  4.016    1.903    1.903
assi (resi  1   and name h5'      and segi DNA1)
     (resi  1   and name h2'   and segi DNA1)  4.016    1.903    1.903
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h5'      and segi DNA1)  3.926    1.985    1.985
assi (resi  3   and name h8    and segi DNA1)
     (resi  3   and name h5''     and segi DNA1)  3.926    1.985    1.985
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h5'      and segi DNA1)  4.046    1.909    1.909
assi (resi  2   and name h8    and segi DNA1)
     (resi  1   and name h5''     and segi DNA1)  4.046    1.909    1.909

remarks data set from JRNOESY

remarks G11

assi (resi 11 and  name  h1  and segi DNA1)
     (resi 1  and  name  h41 and segi DNA2)   3.0   0.8   0.8
assi (resi 11 and  name  h1  and segi DNA2)
     (resi 1  and  name  h41 and segi DNA1)   3.0   0.8   0.8
assi (resi 11 and  name  h1  and segi DNA1)
     (resi 1  and  name  h42 and segi DNA2)   3.0   0.8   0.8
assi (resi 11 and  name  h1  and segi DNA2)
     (resi 1  and  name  h42 and segi DNA1)   3.0   0.8   0.8

remarks C10

assi (resi  2  and  name  h1  and segi DNA1)
     (resi  10 and  name  h5  and segi DNA2)   5.0   1.2   1.2
assi (resi  2  and  name  h1  and segi DNA2)
     (resi  10 and  name  h5  and segi DNA1)   5.0   1.2   1.2
assi (resi  2  and  name  h1  and segi DNA1)
     (resi  10 and  name  h41    and segi DNA2)   3.0   0.5   0.5
assi (resi  2  and  name  h1  and segi DNA2)
     (resi  10 and  name  h41    and segi DNA1)   3.0   0.5   0.5
assi (resi  10 and  name  h41  and segi DNA1)
     (resi  1  and  name  h41    and segi DNA2)   4.0   1.0   1.0 
assi (resi  10 and  name  h41  and segi DNA2)
     (resi  1  and  name  h41    and segi DNA1)   4.0   1.0   1.0 
assi (resi  10 and  name  h41  and segi DNA1)
     (resi  1  and  name  h5  and segi DNA2)   5.0   1.2   1.2 
assi (resi  10 and  name  h41  and segi DNA2)
     (resi  1  and  name  h5  and segi DNA1)   5.0   1.2   1.2 
assi (resi  2  and  name  h1  and segi DNA1)
     (resi  10 and  name  h42    and segi DNA2)   3.0   0.8   0.8
assi (resi  2  and  name  h1  and segi DNA2)
     (resi  10 and  name  h42    and segi DNA1)   3.0   0.8   0.8

remarks T9

assi (resi  9  and  name  h3  and segi DNA1)
     (resi  3  and  name  h62    and segi DNA2)   3.0   0.8   0.8
assi (resi  9  and  name  h3  and segi DNA2)
     (resi  3  and  name  h62    and segi DNA1)   3.0   0.8   0.8
assi (resi  9  and  name  h3  and segi DNA1)
     (resi  3  and  name  h61    and segi DNA2)   3.0   0.3   0.3
assi (resi  9  and  name  h3  and segi DNA2)
     (resi  3  and  name  h61    and segi DNA1)   3.0   0.3   0.3
assi (resi  9  and  name  h3  and segi DNA1)
     (resi  4  and  name  h62    and segi DNA2)   5.0   1.2   1.2 
assi (resi  9  and  name  h3  and segi DNA2)
     (resi  4  and  name  h62    and segi DNA1)   5.0   1.2   1.2 
assi (resi  9  and  name  h3     and segi DNA1)
     (resi  2  and  name  h1  and segi DNA2)   5.0   1.2   1.2
assi (resi  9  and  name  h3     and segi DNA2)
     (resi  2  and  name  h1  and segi DNA1)   5.0   1.2   1.2

remarks T8

assi (resi  8  and  name  h3  and segi DNA1)
     (resi  4  and  name  h62    and segi DNA2)   3.0   0.8   0.8
assi (resi  8  and  name  h3  and segi DNA2)
     (resi  4  and  name  h62    and segi DNA1)   3.0   0.8   0.8
assi (resi  8  and  name  h3  and segi DNA1)
     (resi  5  and  name  h2  and segi DNA2)   3.0   0.8   0.8
assi (resi  8  and  name  h3  and segi DNA2)
     (resi  5  and  name  h2  and segi DNA1)   3.0   0.3   0.3
assi (resi  8  and  name  h3  and segi DNA1)
     (resi  4  and  name  h61    and segi DNA2)   3.0   0.3   0.3
assi (resi  8  and  name  h3  and segi DNA2)
     (resi  4  and  name  h61    and segi DNA1)   3.0   0.3   0.3
assi (resi  8  and  name  h3     and segi DNA1)
     (resi  3  and  name  h2  and segi DNA2)   5.0   1.2   1.2 
assi (resi  8  and  name  h3     and segi DNA2)
     (resi  3  and  name  h2  and segi DNA1)   5.0   1.2   1.2 
assi (resi  8  and  name  h3  and segi DNA1)
     (resi  4  and  name  h2  and segi DNA2)   3.0   0.3   0.3
assi (resi  8  and  name  h3  and segi DNA2)
     (resi  4  and  name  h2  and segi DNA1)   3.0   0.3   0.3

remarks T7

assi (resi  7  and  name  h3  and segi DNA1)
     (resi  5  and  name  h62    and segi DNA2)   3.0   0.8   0.8
assi (resi  7  and  name  h3  and segi DNA2)
     (resi  5  and  name  h62    and segi DNA1)   3.0   0.8   0.8
assi (resi  7  and  name  h3  and segi DNA1)
     (resi  5  and  name  h61    and segi DNA2)   3.0   0.5   0.5
assi (resi  7  and  name  h3  and segi DNA2)
     (resi  5  and  name  h61    and segi DNA1)   3.0   0.5   0.5
assi (resi  7  and  name  h3  and segi DNA1)
     (resi  5  and  name  h2  and segi DNA2)   3.0   0.5   0.5
assi (resi  7  and  name  h3  and segi DNA2)
     (resi  5  and  name  h2  and segi DNA1)   3.0   0.5   0.5

remarks SPECIAL

assi (resi  7  and  name  h3  and segi DNA1)
     (resi  6  and  name  h11    and segi DNA1)   4.0   1.0   1.0 
assi (resi  7  and  name  h3  and segi DNA1)
     (resi  6  and  name  h12    and segi DNA1)   4.0   1.0   1.0 
assi (resi  9  and  name  h3  and segi DNA1)
     (resi  8  and  name  h3     and segi DNA1)   5.0   1.2   1.2 
assi (resi  9  and  name  h3  and segi DNA1)
     (resi  8  and  name  h2  and segi DNA1)   5.0   1.2   1.2 
assi (resi  8  and  name  h3  and segi DNA1)
     (resi  9  and  name  h3  and segi DNA1)   5.0   1.2   1.2
assi (resi  2  and  name  h1  and segi DNA1)
     (resi  3  and  name  h2  and segi DNA1)   5.0   1.2   1.2

remarks H-bonding// Empirical 

!  G11 DNA1 - C1 DNA2 
!  ==================
assi (resi   11  and name O6   and segi DNA1)
     (resi   1   and name H41  and segi DNA2) 1.67 0.20 0.20
assi (resi   11  and name O6   and segi DNA1)
     (resi   1   and name N4   and segi DNA2) 2.95 0.20 0.20
assi (resi   1   and name N3   and segi DNA2)
     (resi   11  and name H1   and segi DNA1) 1.99 0.20 0.20
assi (resi   1   and name N3   and segi DNA2)
     (resi   11  and name N1   and segi DNA1) 2.90 0.20 0.20
assi (resi   1   and name O2   and segi DNA2)
     (resi   11  and name H21  and segi DNA1) 1.67 0.20 0.20
assi (resi   1   and name O2   and segi DNA2)
     (resi   11  and name N2   and segi DNA1) 2.95 0.20 0.20
!  G10 DNA2 - C1 DNA1 
!  ==================
assi (resi   11  and name O6   and segi DNA2)
     (resi   1   and name H41  and segi DNA1) 1.67 0.20 0.20
assi (resi   11  and name O6   and segi DNA2)
     (resi   1   and name N4   and segi DNA1) 2.95 0.20 0.20
assi (resi   1   and name N3   and segi DNA1)
     (resi   11  and name H1   and segi DNA2) 1.99 0.20 0.20
assi (resi   1   and name N3   and segi DNA1)
     (resi   11  and name N1   and segi DNA2) 2.90 0.20 0.20
assi (resi   1   and name O2   and segi DNA1)
     (resi   11  and name H21  and segi DNA2) 1.67 0.20 0.20
assi (resi   1   and name O2   and segi DNA1)
     (resi   11  and name N2   and segi DNA2) 2.95 0.20 0.20
!  G2 DNA1 - C10 DNA2 
!  ==================
assi (resi   2   and name O6   and segi DNA1)
     (resi   10  and name H41  and segi DNA2) 1.67 0.10 0.10
assi (resi   2   and name O6   and segi DNA1)
     (resi   10  and name N4   and segi DNA2) 2.95 0.10 0.10
assi (resi   10  and name N3   and segi DNA2)
     (resi   2   and name H1   and segi DNA1) 1.99 0.10 0.10
assi (resi   10  and name N3   and segi DNA2)
     (resi   2   and name N1   and segi DNA1) 2.90 0.10 0.10
assi (resi   10  and name O2   and segi DNA2)
     (resi   2   and name H21  and segi DNA1) 1.67 0.10 0.10
assi (resi   10  and name O2   and segi DNA2)
     (resi   2   and name N2   and segi DNA1) 2.95 0.10 0.10
!  G2 DNA2 - C10  DNA1 
!  ==================
assi (resi   2   and name O6   and segi DNA2)
     (resi   10  and name H41  and segi DNA1) 1.67 0.10 0.10
assi (resi   2   and name O6   and segi DNA2)
     (resi   10  and name N4   and segi DNA1) 2.95 0.10 0.10
assi (resi   10  and name N3   and segi DNA1)
     (resi   2   and name H1   and segi DNA2) 1.99 0.10 0.10
assi (resi   10  and name N3   and segi DNA1)
     (resi   2   and name N1   and segi DNA2) 2.90 0.10 0.10
assi (resi   10  and name O2   and segi DNA1)
     (resi   2   and name H21  and segi DNA2) 1.67 0.10 0.10
assi (resi   10  and name O2   and segi DNA1)
     (resi   2   and name N2   and segi DNA2) 2.95 0.10 0.10
!  T9 DNA1 - A3 DNA2  
!  =================
assi (resi   3  and name N1   and segi DNA2) 
     (resi   9  and name H3   and segi DNA1) 1.99 0.10 0.10 
assi (resi   3  and name N1   and segi DNA2) 
     (resi   9  and name N3   and segi DNA1) 2.90 0.10 0.10 
assi (resi   9  and name O4   and segi DNA1) 
     (resi   3  and name H61  and segi DNA2) 1.78 0.10 0.10 
assi (resi   9  and name O4   and segi DNA1) 
     (resi   3  and name N6   and segi DNA2) 2.95 0.10 0.10 
!  T9 DNA2 - A3 DNA1  
!  =================
assi (resi   3  and name N1   and segi DNA1) 
     (resi   9  and name H3   and segi DNA2) 1.99 0.10 0.10 
assi (resi   3  and name N1   and segi DNA1) 
     (resi   9  and name N3   and segi DNA2) 2.90 0.10 0.10 
assi (resi   9  and name O4   and segi DNA2) 
     (resi   3  and name H61  and segi DNA1) 1.78 0.10 0.10 
assi (resi   9  and name O4   and segi DNA2) 
     (resi   3  and name N6   and segi DNA1) 2.95 0.10 0.10
!  T8 DNA1 - A4 DNA2  
!  =================
assi (resi   4  and name N1   and segi DNA2) 
     (resi   8  and name H3   and segi DNA1) 1.99 0.10 0.10 
assi (resi   4  and name N1   and segi DNA2) 
     (resi   8  and name N3   and segi DNA1) 2.90 0.10 0.10 
assi (resi   8  and name O4   and segi DNA1) 
     (resi   4  and name H61  and segi DNA2) 1.78 0.10 0.10 
assi (resi   8  and name O4   and segi DNA1) 
     (resi   4  and name N6   and segi DNA2) 2.95 0.10 0.10 
!  T8 DNA2 - A4 DNA1  
!  =================
assi (resi   4  and name N1   and segi DNA1) 
     (resi   8  and name H3   and segi DNA2) 1.99 0.10 0.10 
assi (resi   4  and name N1   and segi DNA1) 
     (resi   8  and name N3   and segi DNA2) 2.90 0.10 0.10 
assi (resi   8  and name O4   and segi DNA2) 
     (resi   4  and name H61  and segi DNA1) 1.78 0.10 0.10 
assi (resi   8  and name O4   and segi DNA2) 
     (resi   4  and name N6   and segi DNA1) 2.95 0.10 0.10
!  T7 DNA1 - A5 DNA2  
!  =================
assi (resi   5  and name N1   and segi DNA2) 
     (resi   7  and name H3   and segi DNA1) 1.99 0.20 0.20 
assi (resi   5  and name N1   and segi DNA2) 
     (resi   7  and name N3   and segi DNA1) 2.90 0.20 0.20 
assi (resi   7  and name O4   and segi DNA1) 
     (resi   5  and name H61  and segi DNA2) 1.78 0.20 0.20 
assi (resi   7  and name O4   and segi DNA1) 
     (resi   5  and name N6   and segi DNA2) 2.95 0.20 0.20 
!  T7 DNA2 - A5 DNA1  
!  =================
assi (resi   5  and name N1   and segi DNA1) 
     (resi   7  and name H3   and segi DNA2) 1.99 0.20 0.20 
assi (resi   5  and name N1   and segi DNA1) 
     (resi   7  and name N3   and segi DNA2) 2.90 0.20 0.20 
assi (resi   7  and name O4   and segi DNA2) 
     (resi   5  and name H61  and segi DNA1) 1.78 0.20 0.20 
assi (resi   7  and name O4   and segi DNA2) 
     (resi   5  and name N6   and segi DNA1) 2.95 0.20 0.20











  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          H5'       CYT   1  63.438  -8.210  42.018
    2   2H5*    C   1          H5''      CYT   1  62.379  -6.992  41.262
    3    H4*    C   1           H4'      CYT   1  62.686  -9.916  40.360
    4    H3*    C   1           H3'      CYT   1  64.100  -7.574  39.416
    5    H1*    C   1           H1'      CYT   1  61.756  -9.756  37.838
    6   1H4     C   1          H41       CYT   1  56.960  -7.927  34.304
    7   2H4     C   1          H42       CYT   1  57.181  -6.278  34.775
    8    H5     C   1           H5       CYT   1  58.951  -5.541  36.444
    9    H6     C   1           H6       CYT   1  60.784  -6.442  37.928
   10    H5T    C   1           H5T      CYT   1  60.728  -8.710  41.588
   11   1H2*    C   1          H2'       CYT   1  62.585  -6.819  38.357
   12   2H2*    C   1          H2''      CYT   1  63.199  -7.905  37.146
   13   1H5*    G   2          H5''      GUA   2  64.356 -12.601  39.422
   14   2H5*    G   2          H5'       GUA   2  65.854 -13.459  39.003
   15    H4*    G   2           H4'      GUA   2  64.000 -14.341  37.706
   16    H3*    G   2           H3'      GUA   2  66.322 -13.552  36.445
   17    H1*    G   2           H1'      GUA   2  63.342 -13.267  34.972
   18    H8     G   2           H8       GUA   2  64.001  -9.777  36.293
   19    H1     G   2           H1       GUA   2  59.226  -9.743  31.970
   20   1H2     G   2          H21       GUA   2  58.834 -11.956  31.253
   21   2H2     G   2          H22       GUA   2  59.792 -13.270  31.875
   22   1H2*    G   2          H2'       GUA   2  65.461 -11.449  36.068
   23   2H2*    G   2          H2''      GUA   2  65.468 -12.275  34.460
   24   1H5*    A   3          H5'       ADE   3  63.918 -15.979  33.240
   25   2H5*    A   3          H5''      ADE   3  65.098 -16.840  32.245
   26    H4*    A   3           H4'      ADE   3  63.351 -15.487  30.576
   27    H3*    A   3           H3'      ADE   3  66.201 -14.920  30.541
   28    H1*    A   3           H1'      ADE   3  63.248 -13.258  29.672
   29    H8     A   3           H8       ADE   3  65.146 -11.497  32.420
   30   1H6     A   3          H61       ADE   3  61.938  -6.315  31.120
   31   2H6     A   3          H62       ADE   3  63.098  -7.169  32.008
   32    H2     A   3           H2       ADE   3  60.490  -9.817  28.330
   33   2H2*    A   3          H2'       ADE   3  65.522 -12.893  29.287
   34   1H2*    A   3          H2''      ADE   3  65.906 -12.950  31.045
   35   1H5*    A   4          H5'       ADE   4  65.075 -16.827  25.478
   36   2H5*    A   4          H5''      ADE   4  65.209 -15.276  26.289
   37    H4*    A   4           H4'      ADE   4  62.632 -15.831  24.662
   38    H3*    A   4           H3'      ADE   4  64.831 -15.178  23.247
   39    H1*    A   4           H1'      ADE   4  62.607 -12.649  24.327
   40    H8     A   4           H8       ADE   4  65.122 -12.847  27.212
   41   1H6     A   4          H61       ADE   4  64.000  -6.924  28.437
   42   2H6     A   4          H62       ADE   4  64.779  -8.390  28.697
   43    H2     A   4           H2       ADE   4  61.298  -8.293  24.865
   44   1H2*    A   4          H2'       ADE   4  65.394 -13.590  25.014
   45   2H2*    A   4          H2''      ADE   4  64.865 -12.653  23.571
   46   1H5*    A   5          H5''      ADE   5  60.900 -13.544  21.687
   47   2H5*    A   5          H5'       ADE   5  60.869 -13.852  19.942
   48    H4*    A   5           H4'      ADE   5  59.391 -11.898  20.590
   49    H3*    A   5           H3'      ADE   5  60.501 -11.729  18.376
   50    H1*    A   5           H1'      ADE   5  60.876  -8.928  20.803
   51    H8     A   5           H8       ADE   5  63.474 -11.429  21.642
   52   1H6     A   5          H61       ADE   5  66.232  -7.286  25.314
   53   2H6     A   5          H62       ADE   5  66.173  -8.884  24.678
   54    H2     A   5           H2       ADE   5  62.439  -5.418  23.297
   55   1H2*    A   5          H2'       ADE   5  62.610 -11.199  19.646
   56   2H2*    A   5          H2''      ADE   5  62.219  -9.626  18.866
   57   1H5*    T   6          H5''      THZ   6  60.315  -7.272  15.972
   58   2H5*    T   6          H5'       THZ   6  61.878  -7.258  16.765
   59    H4*    T   6           H4'      THZ   6  59.204  -6.404  18.152
   60    H3*    T   6           H3'      THZ   6  60.653  -5.278  16.358
   61   1H2*    T   6          H2'       THZ   6  62.568  -5.423  17.428
   62   2H2*    T   6          H2''      THZ   6  62.149  -3.769  17.924
   63    H1*    T   6           H1'      THZ   6  61.025  -4.489  19.648
   64   1H5M    T   6          H51       THZ   6  63.994  -9.554  19.909
   65   2H5M    T   6          H52       THZ   6  65.719  -9.306  19.692
   66   3H5M    T   6          H53       THZ   6  64.473  -8.966  18.379
   67    H6     T   6           H6       THZ   6  62.679  -7.575  18.803
   68   1H5*    T   7          H5''      THY   7  60.753  -1.860  19.123
   69   2H5*    T   7          H5'       THY   7  60.192  -0.535  18.175
   70    H4*    T   7           H4'      THY   7  62.352   0.047  19.197
   71    H3*    T   7           H3'      THY   7  62.372   0.305  16.401
   72   1H2*    T   7          H2'       THY   7  63.674  -2.019  16.110
   73   2H2*    T   7          H2''      THY   7  64.817  -0.831  16.257
   74    H1*    T   7           H1'      THY   7  64.997  -0.684  18.514
   75    H3     T   7           H3       THY   7  67.785  -4.105  19.694
   76   1H5M    T   7          H51       THY   7  64.356  -5.692  15.942
   77   2H5M    T   7          H52       THY   7  63.942  -6.507  17.149
   78   3H5M    T   7          H53       THY   7  65.454  -7.044  16.677
   79    H6     T   7           H6       THY   7  63.920  -3.957  16.913
   80   1H5*    T   8          H5'       THY   8  64.366   2.849  18.554
   81   2H5*    T   8          H5''      THY   8  65.105   4.426  18.193
   82    H4*    T   8           H4'      THY   8  66.102   3.203  20.164
   83    H3*    T   8           H3'      THY   8  67.653   4.668  18.517
   84   1H2*    T   8          H2'       THY   8  67.899   2.672  16.934
   85   2H2*    T   8          H2''      THY   8  69.439   2.808  17.841
   86    H1*    T   8           H1'      THY   8  68.699   1.361  19.536
   87    H3     T   8           H3       THY   8  69.884  -2.747  18.135
   88   1H5M    T   8          H51       THY   8  66.955  -2.351  14.384
   89   2H5M    T   8          H52       THY   8  65.782  -2.152  15.405
   90   3H5M    T   8          H53       THY   8  66.130  -0.701  14.770
   91    H6     T   8           H6       THY   8  66.687   0.489  16.562
   92   1H5*    T   9          H5'       THY   9  71.220   3.532  21.019
   93   2H5*    T   9          H5''      THY   9  72.334   4.895  20.808
   94    H4*    T   9           H4'      THY   9  73.363   2.752  20.054
   95    H3*    T   9           H3'      THY   9  73.164   4.878  17.972
   96   1H2*    T   9          H2'       THY   9  72.219   3.412  16.520
   97   2H2*    T   9          H2''      THY   9  73.844   3.071  16.480
   98    H1*    T   9           H1'      THY   9  73.642   1.259  18.099
   99    H3     T   9           H3       THY   9  72.122  -1.887  15.275
  100   1H5M    T   9          H51       THY   9  68.539   1.856  15.358
  101   2H5M    T   9          H52       THY   9  69.434   2.567  14.398
  102   3H5M    T   9          H53       THY   9  68.632   1.007  13.799
  103    H6     T   9           H6       THY   9  70.661   2.511  16.397
  104   1H5*    C  10          H5''      CYT  10  76.870   2.886  19.406
  105   2H5*    C  10          H5'       CYT  10  78.478   3.569  19.091
  106    H4*    C  10           H4'      CYT  10  78.457   1.078  19.224
  107    H3*    C  10           H3'      CYT  10  80.135   2.190  17.531
  108    H1*    C  10           H1'      CYT  10  78.109  -0.403  16.370
  109   1H4     C  10          H41       CYT  10  73.050  -1.166  12.416
  110   2H4     C  10          H42       CYT  10  72.509   0.380  12.871
  111    H5     C  10           H5       CYT  10  73.573   1.905  14.399
  112    H6     C  10           H6       CYT  10  75.399   2.256  15.861
  113   1H2*    C  10          H2'       CYT  10  77.852   2.569  15.836
  114   2H2*    C  10          H2''      CYT  10  79.010   1.508  15.101
  115   1H5*    G  11          H5'       GUA  11  80.323  -1.259  15.998
  116   2H5*    G  11          H5''      GUA  11  79.981  -2.749  16.868
  117    H4*    G  11           H4'      GUA  11  81.950  -3.838  16.085
  118    H3*    G  11           H3'      GUA  11  83.490  -1.682  15.759
  119    H1*    G  11           H1'      GUA  11  81.746  -2.538  12.546
  120    H8     G  11           H8       GUA  11  80.347   0.454  14.224
  121    H1     G  11           H1       GUA  11  76.129  -2.031  10.079
  122   1H2     G  11          H21       GUA  11  76.900  -4.234   9.439
  123   2H2     G  11          H22       GUA  11  78.389  -4.862  10.073
  124    H3T    G  11           H3T      GUA  11  82.937  -3.733  13.815
  125   1H2*    G  11          H2'       GUA  11  81.864  -0.518  14.868
  126   2H2*    G  11          H2''      GUA  11  82.949  -0.671  13.465
  127   1H5*    C   1          H5''      CYT   1  72.188  -6.723   3.084
  128   2H5*    C   1          H5'       CYT   1  71.657  -5.111   3.627
  129    H4*    C   1           H4'      CYT   1  73.909  -6.750   4.823
  130    H3*    C   1           H3'      CYT   1  71.205  -6.966   5.547
  131    H1*    C   1           H1'      CYT   1  74.064  -5.656   7.254
  132   1H4     C   1          H41       CYT   1  74.779  -0.076  10.223
  133   2H4     C   1          H42       CYT   1  73.302   0.523   9.554
  134    H5     C   1           H5       CYT   1  71.889  -0.766   7.974
  135    H6     C   1           H6       CYT   1  71.712  -2.852   6.764
  136    H5T    C   1           H5T      CYT   1  74.002  -4.639   3.410
  137   1H2*    C   1          H2'       CYT   1  71.255  -4.744   6.398
  138   2H2*    C   1          H2''      CYT   1  71.631  -5.671   7.884
  139   1H5*    G   2          H5''      GUA   2  75.231  -9.426   6.341
  140   2H5*    G   2          H5'       GUA   2  75.141 -11.081   6.979
  141    H4*    G   2           H4'      GUA   2  76.765  -9.790   8.240
  142    H3*    G   2           H3'      GUA   2  74.965 -11.312   9.548
  143    H1*    G   2           H1'      GUA   2  76.012  -8.194  10.778
  144    H8     G   2           H8       GUA   2  72.731  -7.188   9.019
  145    H1     G   2           H1       GUA   2  74.972  -2.617  12.928
  146   1H2     G   2          H21       GUA   2  76.979  -3.328  13.915
  147   2H2     G   2          H22       GUA   2  77.636  -4.898  13.547
  148   1H2*    G   2          H2'       GUA   2  73.425  -9.323   9.584
  149   2H2*    G   2          H2''      GUA   2  73.999  -9.544  11.284
  150   1H5*    A   3          H5''      ADE   3  77.892  -9.921  12.933
  151   2H5*    A   3          H5'       ADE   3  77.894 -11.227  14.138
  152    H4*    A   3           H4'      ADE   3  77.723  -8.988  15.222
  153    H3*    A   3           H3'      ADE   3  75.870 -11.108  15.749
  154    H1*    A   3           H1'      ADE   3  75.668  -7.479  15.955
  155    H8     A   3           H8       ADE   3  73.247  -8.554  13.091
  156   1H6     A   3          H61       ADE   3  70.547  -3.046  13.532
  157   2H6     A   3          H62       ADE   3  70.745  -4.579  12.841
  158    H2     A   3           H2       ADE   3  74.130  -3.258  16.608
  159   1H2*    A   3          H2'       ADE   3  74.149  -9.840  14.729
  160   2H2*    A   3          H2''      ADE   3  73.984  -9.269  16.419
  161   1H5*    A   4          H5'       ADE   4  77.443 -10.230  20.843
  162   2H5*    A   4          H5''      ADE   4  76.077  -9.838  19.779
  163    H4*    A   4           H4'      ADE   4  77.846  -7.789  21.186
  164    H3*    A   4           H3'      ADE   4  76.050  -8.971  22.754
  165    H1*    A   4           H1'      ADE   4  75.079  -5.930  21.106
  166    H8     A   4           H8       ADE   4  74.087  -8.585  18.435
  167   1H6     A   4          H61       ADE   4  69.800  -4.731  16.408
  168   2H6     A   4          H62       ADE   4  70.626  -6.196  16.420
  169    H2     A   4           H2       ADE   4  72.085  -2.688  19.974
  170   1H2*    A   4          H2'       ADE   4  74.466  -8.916  20.799
  171   2H2*    A   4          H2''      ADE   4  73.782  -7.795  22.023
  172   1H5*    A   5          H5'       ADE   5  76.528  -4.623  23.739
  173   2H5*    A   5          H5''      ADE   5  76.667  -4.522  25.502
  174    H4*    A   5           H4'      ADE   5  76.000  -2.414  24.444
  175    H3*    A   5           H3'      ADE   5  74.880  -2.908  26.762
  176    H1*    A   5           H1'      ADE   5  72.558  -2.108  23.992
  177    H8     A   5           H8       ADE   5  73.397  -5.865  23.586
  178   1H6     A   5          H61       ADE   5  68.688  -6.404  19.715
  179   2H6     A   5          H62       ADE   5  70.028  -7.090  20.550
  180    H2     A   5           H2       ADE   5  68.931  -1.979  21.162
  181   1H2*    A   5          H2'       ADE   5  73.483  -4.590  25.569
  182   2H2*    A   5          H2''      ADE   5  72.345  -3.315  26.141
  183   1H5*    T   6          H5'       THZ   6  71.196  -0.160  28.517
  184   2H5*    T   6          H5''      THZ   6  70.316  -1.550  27.864
  185    H4*    T   6           H4'      THZ   6  71.264   0.922  26.355
  186    H3*    T   6           H3'      THZ   6  69.126   0.905  27.885
  187   1H2*    T   6          H2'       THZ   6  68.471  -1.239  27.054
  188   2H2*    T   6          H2''      THZ   6  67.298  -0.142  26.253
  189    H1*    T   6           H1'      THZ   6  68.639   0.040  24.275
  190   1H5M    T   6          H51       THZ   6  70.101  -6.246  25.432
  191   2H5M    T   6          H52       THZ   6  70.370  -5.032  26.701
  192   3H5M    T   6          H53       THZ   6  71.426  -5.104  25.273
  193    H6     T   6           H6       THZ   6  70.315  -2.720  25.927
  194   1H5*    T   7          H5''      THY   7  66.503   1.956  24.678
  195   2H5*    T   7          H5'       THY   7  65.479   3.132  25.515
  196    H4*    T   7           H4'      THY   7  64.066   1.480  24.489
  197    H3*    T   7           H3'      THY   7  63.658   1.990  27.185
  198   1H2*    T   7          H2'       THY   7  65.039  -0.006  27.702
  199   2H2*    T   7          H2''      THY   7  63.317  -0.511  27.872
  200    H1*    T   7           H1'      THY   7  63.240  -1.095  25.434
  201    H3     T   7           H3       THY   7  64.759  -5.334  24.959
  202   1H5M    T   7          H51       THY   7  68.708  -3.055  27.586
  203   2H5M    T   7          H52       THY   7  68.183  -4.549  28.093
  204   3H5M    T   7          H53       THY   7  67.671  -2.893  28.736
  205    H6     T   7           H6       THY   7  66.338  -1.547  27.403
  206   1H5*    T   8          H5'       THY   8  60.579   1.290  24.904
  207   2H5*    T   8          H5''      THY   8  58.828   1.524  25.105
  208    H4*    T   8           H4'      THY   8  59.487  -0.212  23.395
  209    H3*    T   8           H3'      THY   8  57.306  -0.566  24.944
  210   1H2*    T   8          H2'       THY   8  58.770  -1.482  26.736
  211   2H2*    T   8          H2''      THY   8  57.880  -2.907  26.042
  212    H1*    T   8           H1'      THY   8  59.632  -3.235  24.382
  213    H3     T   8           H3       THY   8  62.330  -6.228  26.529
  214   1H5M    T   8          H51       THY   8  63.885  -2.088  28.915
  215   2H5M    T   8          H52       THY   8  62.372  -1.569  29.350
  216   3H5M    T   8          H53       THY   8  63.247  -3.128  29.885
  217    H6     T   8           H6       THY   8  61.168  -1.615  27.318
  218   1H5*    T   9          H5''      THY   9  56.580  -4.492  22.889
  219   2H5*    T   9          H5'       THY   9  54.824  -4.707  22.996
  220    H4*    T   9           H4'      THY   9  56.060  -6.550  24.034
  221    H3*    T   9           H3'      THY   9  54.075  -5.127  25.605
  222   1H2*    T   9          H2'       THY   9  55.693  -4.659  27.135
  223   2H2*    T   9          H2''      THY   9  55.264  -6.276  27.731
  224    H1*    T   9           H1'      THY   9  56.988  -7.316  26.187
  225    H3     T   9           H3       THY   9  60.318  -7.269  29.294
  226   1H5M    T   9          H51       THY   9  58.921  -2.188  28.611
  227   2H5M    T   9          H52       THY   9  57.884  -2.605  29.635
  228   3H5M    T   9          H53       THY   9  59.581  -2.695  30.185
  229    H6     T   9           H6       THY   9  57.410  -3.905  27.594
  230   1H5*    C  10          H5'       CYT  10  54.035  -9.398  24.989
  231   2H5*    C  10          H5''      CYT  10  52.587 -10.367  25.330
  232    H4*    C  10           H4'      CYT  10  54.717 -11.650  25.530
  233    H3*    C  10           H3'      CYT  10  52.729 -12.152  27.258
  234    H1*    C  10           H1'      CYT  10  55.941 -11.734  28.524
  235   1H4     C  10          H41       CYT  10  58.956  -7.306  32.155
  236   2H4     C  10          H42       CYT  10  57.961  -6.119  31.452
  237    H5     C  10           H5       CYT  10  56.225  -6.443  29.821
  238    H6     C  10           H6       CYT  10  55.051  -8.130  28.456
  239   1H2*    C  10          H2'       CYT  10  53.461  -9.961  28.419
  240   2H2*    C  10          H2''      CYT  10  53.701 -11.276  29.599
  241   1H5*    G  11          H5''      GUA  11  55.477 -14.001  29.169
  242   2H5*    G  11          H5'       GUA  11  56.984 -14.593  28.481
  243    H4*    G  11           H4'      GUA  11  56.815 -16.715  29.547
  244    H3*    G  11           H3'      GUA  11  54.230 -17.047  29.692
  245    H1*    G  11           H1'      GUA  11  55.554 -15.404  32.856
  246    H8     G  11           H8       GUA  11  53.862 -12.861  30.720
  247    H1     G  11           H1       GUA  11  57.896 -10.056  34.807
  248   1H2     G  11          H21       GUA  11  59.309 -11.755  35.791
  249   2H2     G  11          H22       GUA  11  59.104 -13.424  35.359
  250    H3T    G  11           H3T      GUA  11  56.036 -17.190  31.850
  251   1H2*    G  11          H2'       GUA  11  53.943 -14.766  30.310
  252   2H2*    G  11          H2''      GUA  11  53.416 -15.613  31.794
  253    H1   EHN   6           H11      THZ   6  64.949  -4.056  22.679
  254    H2   EHN   6           H12      THZ   6  65.928  -5.500  23.017
  255    H4   EHN   6           H11      THZ   6  67.164  -4.920  21.722
  256    H5   EHN   6           H12      THZ   6  66.430  -3.303  21.792