*HEADER    DNA                                     19-JUL-11   2LG2              
*TITLE     STRUCTURE OF THE DUPLEX CONTAINING HNE DERIVED (6S,8R,11S) N2-DG      
*TITLE    2 CYCLIC HEMIACETAL WHEN PLACED OPPOSITE DT                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3');        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3');        
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    TRANS-4-HYDROXYNONENAL, N2-DG CYCLIC HEMIACETAL, DNA                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    H.HUANG, H.WANG, A.KOZEKOVA, R.S.LLOYD, C.J.RIZZO, M.P.STONE          
*REVDAT   1   01-AUG-12 2LG2    0                                                


 1   DG  H8    1 DG  H1'   3.00   4.00
 1   DG  H3'   1 DG  H1'   3.50   4.50
 1   DG  H2'1  1 DG  H1'   2.41   2.91
 1   DG  H2'1  1 DG  H8    2.21   2.71
 1   DG  H2'1  1 DG  H3'   2.12   2.39
 1   DG  H2'2  1 DG  H1'   2.14   2.73
 1   DG  H2'2  1 DG  H8    3.00   4.00
 1   DG  H2'2  1 DG  H3'   2.54   3.04
 2   DC  H6    1 DG  H1'   2.82   3.60
 2   DC  H6    1 DG  H2'1  2.99   3.49
 2   DC  H6    1 DG  H2'2  2.48   2.98
 2   DC  H6    2 DC  H1'   2.87   3.87
 2   DC  H5    1 DG  H1'   4.10   4.60
 2   DC  H5    1 DG  H8    4.33   4.83
 2   DC  H5    1 DG  H2'1  2.65   3.35
 2   DC  H5    1 DG  H2'2  3.18   3.68
 2   DC  H3'   2 DC  H6    2.77   3.27
 2   DC  H2'1  2 DC  H6    2.42   3.06
 2   DC  H2'1  2 DC  H3'   1.90   2.43
 2   DC  H2'2  2 DC  H6    3.00   4.00
 3   DT  H6    2 DC  H1'   3.30   4.49
 3   DT  H6    3 DT  H1'   3.00   4.00
 3   DT  M7    2 DC  H1'   3.89   4.91
 3   DT  M7    2 DC  H6    2.81   5.30
 3   DT  M7    2 DC  H5    3.13   3.51
 3   DT  M7    2 DC  H3'   3.62   4.37
 3   DT  M7    2 DC  H2'2  3.53   4.77
 3   DT  H3'   3 DT  H1'   3.32   4.74
 3   DT  H2'1  3 DT  H1'   2.20   3.20
 3   DT  H2'2  3 DT  H1'   2.13   2.63
11   DC  H2'1 11 DC  H1'   2.64   5.36
11   DC  H2'1 11 DC  H3'   2.18   2.76
11   DC  H2'2 11 DC  H1'   2.14   2.64
12   DC  H6   11 DC  H1'   4.00   4.50
12   DC  H6   11 DC  H3'   3.42   5.55
12   DC  H6   11 DC  H2'1  3.11   3.59
12   DC  H6   12 DC  H1'   3.79   5.96
12   DC  H5   11 DC  H3'   5.50   6.00
12   DC  H3'  12 DC  H1'   3.96   5.25
12   DC  H3'  12 DC  H6    2.66   2.82
12   DC  H3'  12 DC  H5    4.49   6.96
12   DC  Q2'  12 DC  H1'   2.33   2.47
12   DC  Q2'  12 DC  H6    2.91   3.41
12   DC  Q2'  12 DC  H3'   2.40   2.82
13   DG  H8   13 DG  H1'   3.30   3.80
13   DG  H3'  13 DG  H1'   3.53   3.89
13   DG  H3'  13 DG  H8    3.27   3.48
13   DG  H2'1 13 DG  H3'   2.26   2.89
13   DG  H2'2 13 DG  H1'   2.24   2.36
14   DG  H2'1 14 DG  H8    2.10   2.60
14   DG  H2'2 14 DG  H8    2.38   3.97
15   DA  H8   14 DG  H8    4.74   5.24
15   DA  H8   15 DA  H1'   3.42   4.29
15   DA  H2   11 DC  H1'   3.68   4.55
15   DA  H2   15 DA  H1'   4.04   4.95
15   DA  H3'  15 DA  H1'   3.51   5.25
15   DA  H2'1 15 DA  H1'   2.73   4.11
15   DA  H2'2 15 DA  H1'   2.26   2.45
22   DA  H8   21 DT  H3'   4.08   6.11
22   DA  H8   21 DT  H2'1  3.11   4.31
22   DA  H8   21 DT  H2'2  3.00   3.50
22   DA  H2    4 DA  H1'   4.71   5.21
23   DG  H8   23 DG  H1'   2.80   3.80
23   DG  H3'  23 DG  H1'   3.66   5.44
24   DC  H6   24 DC  H1'   3.39   4.21
24   DC  H5   23 DG  H1'   4.05   6.69
24   DC  H5   23 DG  H8    3.43   3.80
24   DC  H5   23 DG  H2'1  3.10   4.17
24   DC  H5   23 DG  H2'2  2.88   3.34
24   DC  H3'  24 DC  H1'   3.50   4.76
24   DC  H3'  24 DC  H6    2.98   3.45
24   DC  H2'1 24 DC  H1'   2.96   5.27
24   DC  H2'1 24 DC  H3'   2.16   2.49
24   DC  H2'2 24 DC  H1'   2.08   2.34
24   DC  H2'2 24 DC  H3'   2.95   4.22
 4   DA  H8    3 DT  H1'   3.50   4.50
 4   DA  H8    3 DT  H6    4.31   6.43
 4   DA  H8    3 DT  H3'   4.32   6.51
 4   DA  H8    3 DT  H2'1  3.90   4.29
 4   DA  H8    3 DT  H2'2  3.21   3.51
 4   DA  H8    4 DA  H1'   2.38   4.70
 4   DA  H3'   4 DA  H8    3.50   4.50
 4   DA  H2'1  4 DA  H8    1.96   2.59
 4   DA  H2'2  4 DA  H8    2.21   3.21
 5   DG  H8    4 DA  H1'   3.50   4.00
 5   DG  H8    4 DA  H8    4.50   5.50
 5   DG  H8    4 DA  H3'   3.55   4.49
 5   DG  H8    4 DA  H2'2  3.00   3.50
 5   DG  H8    5 DG  H1'   2.85   4.35
 5   DG  H3'   5 DG  H8    3.70   4.70
 5   DG  H2'1  5 DG  H1'   2.00   3.00
 5   DG  H2'1  5 DG  H8    2.24   2.74
 5   DG  H2'2  5 DG  H1'   2.50   3.50
 5   DG  H2'2  5 DG  H8    3.15   4.15
 6   DC  H6    5 DG  H1'   3.05   3.55
 6   DC  H6    5 DG  H3'   3.91   6.05
 6   DC  H5    5 DG  H1'   3.70   6.16
 6   DC  H5    5 DG  H8    3.72   4.68
 6   DC  H5    5 DG  H2'1  3.10   4.49
 6   DC  H5    5 DG  H2'2  2.68   2.90
 6   DC  H2'1  6 DC  H5    2.80   4.54
 6   DC  H2'2  6 DC  H1'   2.31   2.63
 6   DC  H2'2  6 DC  H6    3.00   4.00
 7   DG  H8    6 DC  H1'   3.39   3.87
 7   DG  H8    6 DC  H6    4.75   6.70
 7   DG  H8    6 DC  H2'1  3.25   3.86
 7   DG  H8    6 DC  H2'2  2.75   3.23
 7   DG  H8    7 DG  H1'   3.51   4.01
 7   DG  H3'   7 DG  H8    3.53   5.77
 7   DG  H2'1  7 DG  H1'   2.42   3.25
 7   DG  H2'1  7 DG  H8    2.08   2.50
 7   DG  H2'1  7 DG  H3'   2.03   2.37
 7   DG  H2'2  7 DG  H1'   2.36   2.90
 8   DA  H8    7 DG  H8    3.55   3.98
 8   DA  H8    7 DG  H2'2  2.57   3.05
 8   DA  H3'   8 DA  H1'   3.28   4.25
 8   DA  H3'   8 DA  H8    3.28   4.28
 8   DA  H2'1  8 DA  H1'   2.69   3.69
 9   DG  H1'   8 DA  H2    4.37   5.59
 9   DG  H8    8 DA  H1'   3.63   4.13
 9   DG  H8    8 DA  H2'2  2.26   2.76
 9   DG  H2'1  9 DG  H1'   2.74   3.24
10   DT  H6    9 DG  H2'2  2.90   3.40
10   DT  H6   10 DT  H1'   2.99   4.57
10   DT  M7    9 DG  H1'   4.15   6.17
10   DT  M7    9 DG  H8    2.50   3.00
10   DT  M7    9 DG  H3'   2.49   2.99
10   DT  M7    9 DG  H2'1  3.09   4.09
10   DT  M7   10 DT  H6    2.45   2.98
10   DT  H3'  10 DT  H6    3.14   5.92
10   DT  H2'1 10 DT  H6    2.09   2.91
11   DC  H6   10 DT  H2'1  1.78   2.39
11   DC  H5   10 DT  H6    3.33   6.30
11   DC  H5   10 DT  M7    3.34   4.02
11   DC  H5   10 DT  H2'1  2.19   2.90
11   DC  H5   10 DT  H2'2  2.65   5.24
11   DC  H2'1 11 DC  H5    3.50   4.50
14   DG  H8   14 DG  H1'   2.78   3.78
14   DG  H3'  14 DG  H1'   2.83   4.13
14   DG  H2'1 14 DG  H1'   2.57   3.57
14   DG  H2'2 14 DG  H1'   1.89   2.25
16   DC  H1'  15 DA  H2    3.63   4.50
16   DC  H6   15 DA  H1'   2.94   3.34
16   DC  H6   15 DA  H2'1  2.91   4.85
16   DC  H6   15 DA  H2'2  2.44   2.94
16   DC  H5   15 DA  H1'   3.89   5.78
16   DC  H5   15 DA  H2'1  2.77   3.54
16   DC  H5   15 DA  H2'2  2.58   3.06
16   DC  H2'1 16 DC  H1'   2.71   3.21
16   DC  H2'1 16 DC  H6    2.56   3.56
17   DT  H6   16 DC  H1'   3.51   4.01
17   DT  H6   16 DC  H2'2  2.08   2.75
17   DT  M7   16 DC  H1'   3.41   4.49
17   DT  M7   16 DC  H6    3.00   3.57
17   DT  M7   16 DC  H5    3.58   5.81
17   DT  M7   16 DC  H2'2  3.09   3.59
17   DT  M7   17 DT  H6    2.50   3.50
17   DT  H2'1 17 DT  H1'   2.36   3.28
17   DT  H2'1 17 DT  M7    3.50   6.90
17   DT  H2'1 17 DT  H3'   2.09   2.59
17   DT  H2'2 17 DT  H1'   2.30   2.73
18   DT  H1'   8 DA  H2    3.37   4.06
18   DT  H3'  18 DT  H1'   3.40   5.76
18   DT  H2'1 18 DT  H1'   2.37   3.28
18   DT  H2'2 18 DT  H1'   2.14   2.64
18   DT  H6   18 DT  H1'   2.39   4.60
18   DT  H6   18 DT  H2'2  2.84   4.34
18   DT  M7   17 DT  H1'   4.80   5.30
18   DT  M7   17 DT  H3'   3.97   4.47
18   DT  M7   18 DT  H6    2.51   2.81
19   DG  H8   18 DT  H1'   4.37   6.78
19   DG  H8   18 DT  H3'   3.85   5.69
19   DG  H8   18 DT  H2'1  2.82   3.08
19   DG  H8   18 DT  H2'2  2.77   3.18
19   DG  H8   18 DT  H6    3.84   5.69
19   DG  H8   19 DG  H1'   3.26   3.87
19   DG  H3'  19 DG  H1'   3.00   4.00
19   DG  H3'  19 DG  H8    3.47   4.47
19   DG  H2'1 19 DG  H8    2.00   3.00
19   DG  H2'1 19 DG  H3'   2.00   2.50
19   DG  H2'2 19 DG  H1'   2.26   2.85
19   DG  H2'2 19 DG  H8    2.50   3.50
19   DG  H2'2 19 DG  H3'   2.86   4.12
20   DC  H6   19 DG  H8    4.10   5.11
20   DC  H6   19 DG  H3'   4.00   5.00
20   DC  H6   19 DG  H2'1  2.50   3.50
20   DC  H5   19 DG  H1'   3.79   4.99
20   DC  H5   19 DG  H8    3.52   3.94
20   DC  H5   19 DG  H2'1  3.88   5.11
20   DC  H5   19 DG  H2'2  3.72   4.22
20   DC  H3'  20 DC  H1'   3.84   5.46
20   DC  H3'  20 DC  H6    3.19   4.19
20   DC  H2'1 20 DC  H1'   2.25   3.25
20   DC  H2'1 20 DC  H6    2.61   3.52
20   DC  H2'1 20 DC  H5    3.67   4.67
20   DC  H2'1 20 DC  H3'   2.00   3.00
21   DT  H1'  20 DC  H1'   3.89   5.26
21   DT  H6   20 DC  H3'   3.69   5.11
21   DT  H6   21 DT  H1'   3.11   4.11
21   DT  M7   20 DC  H1'   3.85   6.42
21   DT  M7   20 DC  H6    2.75   3.06
21   DT  M7   20 DC  H5    3.95   4.65
21   DT  M7   20 DC  H2'1  2.31   2.62
21   DT  H3'  21 DT  H1'   3.43   4.43
21   DT  H2'1 21 DT H1'    2.83   3.62
21   DT  H2'2 21 DT H1'    2.28   2.78
25   HNE H4    8 DA  H1'   2.78   3.78
25   HNE H1   19 DG  H1'   4.12   4.95
25   HNE H1   25 HNE H4    3.75   4.62
25   HNE H21  19 DG  H1'   3.11   4.00
25   HNE H21  25 HNE H4    3.59   4.09
25   HNE H22  25 HNE H4    3.87   4.27
25   HNE H51   8 DA  H2    3.76   6.04
25   HNE H51  18 DT  H1'   4.69   5.69
25   HNE H51  25 HNE H4    2.00   3.00
25   HNE H51  25 HNE H1    3.84   5.50
25   HNE H52   8 DA  H2    3.49   4.49
25   HNE H52   9 DG  H1'   5.89   6.89
25   HNE H52  18 DT  H1'   3.80   5.74
25   HNE H52  25 HNE H4    3.11   3.43
25   HNE H52  25 HNE H1    3.20   3.70
25   HNE Q6    8 DA  H1'   2.73   3.01
25   HNE Q6    8 DA  H2    3.64   4.02
25   HNE Q6    9 DG  H1'   4.23   5.58
25   HNE Q6   18 DT  H1'   4.57   6.40
25   HNE Q6   25 HNE H4    2.51   3.11
25   HNE Q6   25 HNE H1    3.93   4.89
25   HNE Q7    8 DA  H1'   2.61   3.61
25   HNE Q7    8 DA  H2    3.70   4.04
25   HNE Q7    9 DG  H1'   4.12  5.120
25   HNE Q7   18 DT  H1'   4.42   4.92
25   HNE Q7   25 HNE H4    3.18   4.39 
25   HNE Q8    8 DA  H2    3.16   3.56
25   HNE Q8    9 DG  H1'   4.44   5.51
25   HNE Q8   18 DT  H1'   3.28   3.65
25   HNE Q8   25 HNE H4    3.84   4.84
25   HNE M9    8 DA  H2    4.65   7.28
25   HNE M9    9 DG  H1'   5.03   6.07
25   HNE M9   18 DT  H1'   4.48   6.94
25   HNE M9   25 HNE H4    3.44   4.20

  Entry H atom name         Submitted Coord H atom name
    1    H5'   DG   1          1H5*       DG   1 -11.232   9.972  -0.249
    2   H5''   DG   1          2H5*       DG   1 -10.961  10.961   1.191
    3    H4'   DG   1           H4*       DG   1 -10.877   8.666   1.804
    4    H3'   DG   1           H3*       DG   1  -8.180  10.020   1.787
    5    H2'   DG   1          1H2*       DG   1  -7.088   8.038   2.174
    6   H2''   DG   1          2H2*       DG   1  -8.344   7.410   3.236
    7    H1'   DG   1           H1*       DG   1  -9.456   6.394   1.656
    8    H8    DG   1           H8        DG   1  -6.232   7.847  -0.108
    9    H1    DG   1           H1        DG   1  -7.751   1.726  -1.410
   10    H21   DG   1           1H2       DG   1 -10.612   2.529   0.416
   11    H22   DG   1           2H2       DG   1  -9.781   1.284  -0.515
   12   HO5'   DG   1          H5T        DG   1  -9.742  11.621  -0.723
   13    H5'   DC   2          1H5*       DC   2 -11.678   7.099   3.162
   14   H5''   DC   2          2H5*       DC   2 -12.326   7.157   4.796
   15    H4'   DC   2           H4*       DC   2 -12.056   4.879   4.095
   16    H3'   DC   2           H3*       DC   2 -10.311   5.828   6.309
   17    H2'   DC   2          1H2*       DC   2  -8.786   4.235   6.077
   18   H2''   DC   2          2H2*       DC   2 -10.009   2.944   5.936
   19    H1'   DC   2           H1*       DC   2 -10.169   3.011   3.686
   20    H41   DC   2           1H4       DC   2  -3.944   4.192   1.893
   21    H42   DC   2           2H4       DC   2  -4.418   2.590   1.328
   22    H5    DC   2           H5        DC   2  -5.336   5.484   3.390
   23    H6    DC   2           H6        DC   2  -7.518   5.531   4.514
   24    H5'   DT   3          1H5*       DT   3 -12.378   1.852   6.245
   25   H5''   DT   3          2H5*       DT   3 -13.041   1.264   7.733
   26    H4'   DT   3           H4*       DT   3 -11.930  -0.522   6.490
   27    H3'   DT   3           H3*       DT   3 -11.340  -0.035   9.244
   28    H2'   DT   3          1H2*       DT   3  -9.182   0.764   8.849
   29   H2''   DT   3          2H2*       DT   3  -8.785  -0.994   8.940
   30    H1'   DT   3           H1*       DT   3  -8.999  -1.298   6.606
   31    H3    DT   3           H3        DT   3  -5.193  -0.092   4.540
   32    H71   DT   3           3H7       DT   3  -4.962   3.613   7.553
   33    H72   DT   3           1H7       DT   3  -5.863   4.377   6.229
   34    H73   DT   3           2H7       DT   3  -6.670   4.004   7.795
   35    H6    DT   3           H6        DT   3  -8.119   2.181   7.615
   36    H5'   DA   4          1H5*       DA   4  -9.158  -4.073   7.586
   37   H5''   DA   4          2H5*       DA   4  -9.394  -5.314   8.839
   38    H4'   DA   4           H4*       DA   4  -7.188  -5.597   8.291
   39    H3'   DA   4           H3*       DA   4  -7.600  -4.601  10.938
   40    H2'   DA   4          1H2*       DA   4  -6.776  -2.497  10.307
   41   H2''   DA   4          2H2*       DA   4  -5.289  -3.265  10.951
   42    H1'   DA   4           H1*       DA   4  -4.813  -4.166   8.678
   43    H8    DA   4           H8        DA   4  -5.756  -0.633   9.694
   44    H61   DA   4           2H6       DA   4  -2.392   1.593   6.826
   45    H62   DA   4           1H6       DA   4  -1.094   0.955   5.811
   46    H2    DA   4           H2        DA   4  -1.590  -3.362   5.616
   47    H5'   DG   5          1H5*       DG   5  -4.612  -8.004   9.527
   48   H5''   DG   5          2H5*       DG   5  -4.698  -9.250  10.798
   49    H4'   DG   5           H4*       DG   5  -2.639  -9.498   9.649
   50    H3'   DG   5           H3*       DG   5  -2.618  -9.213  12.382
   51    H2'   DG   5          1H2*       DG   5  -2.123  -6.951  12.468
   52   H2''   DG   5          2H2*       DG   5  -0.481  -7.547  12.549
   53    H1'   DG   5           H1*       DG   5  -0.157  -7.207  10.175
   54    H8    DG   5           H8        DG   5  -3.107  -5.139  11.551
   55    H1    DG   5           H1        DG   5   1.388  -1.736   8.430
   56    H21   DG   5           1H2       DG   5   2.906  -4.892   8.111
   57    H22   DG   5           2H2       DG   5   3.062  -3.164   7.863
   58    H5'   DC   6          1H5*       DC   6   1.542  -9.397  10.043
   59   H5''   DC   6          2H5*       DC   6   2.428 -10.734  10.812
   60    H4'   DC   6           H4*       DC   6   4.085  -9.194  10.042
   61    H3'   DC   6           H3*       DC   6   3.978  -9.918  12.746
   62    H2'   DC   6          1H2*       DC   6   3.371  -7.855  13.615
   63   H2''   DC   6          2H2*       DC   6   5.111  -7.503  13.465
   64    H1'   DC   6           H1*       DC   6   4.867  -6.441  11.411
   65    H41   DC   6           1H4       DC   6  -0.244  -2.549  13.060
   66    H42   DC   6           2H4       DC   6   1.043  -1.521  12.442
   67    H5    DC   6           H5        DC   6   0.063  -4.866  13.499
   68    H6    DC   6           H6        DC   6   1.500  -6.795  13.029
   69    H5'   DG   7          1H5*       DG   7   7.985  -7.591  11.434
   70   H5''   DG   7          2H5*       DG   7   9.284  -8.470  12.164
   71    H4'   DG   7           H4*       DG   7   9.837  -6.191  12.334
   72    H3'   DG   7           H3*       DG   7   9.458  -7.558  14.801
   73    H2'   DG   7          1H2*       DG   7   7.547  -6.289  15.328
   74   H2''   DG   7          2H2*       DG   7   8.752  -5.170  16.020
   75    H1'   DG   7           H1*       DG   7   8.875  -3.919  13.945
   76    H8    DG   7           H8        DG   7   5.513  -5.392  15.100
   77    H1    DG   7           H1        DG   7   5.477   0.872  13.648
   78    H22   DG   7           H2        DG   7   7.328   1.429  12.806
   79    H5'   DA   8          1H5*       DA   8  11.402  -3.362  14.889
   80   H5''   DA   8          2H5*       DA   8  12.780  -3.291  15.958
   81    H4'   DA   8           H4*       DA   8  11.554  -1.211  16.168
   82    H3'   DA   8           H3*       DA   8  11.830  -2.957  18.469
   83    H2'   DA   8          1H2*       DA   8   9.600  -3.059  18.875
   84   H2''   DA   8          2H2*       DA   8   9.776  -1.392  19.542
   85    H1'   DA   8           H1*       DA   8   9.256  -0.387  17.479
   86    H8    DA   8           H8        DA   8   7.608  -3.865  18.105
   87    H61   DA   8           2H6       DA   8   2.953  -2.079  18.220
   88    H62   DA   8           1H6       DA   8   2.277  -0.568  17.649
   89    H2    DA   8           H2        DA   8   5.579   2.031  16.442
   90    H5'   DG   9          1H5*       DG   9  11.208   1.693  18.898
   91   H5''   DG   9          2H5*       DG   9  12.177   2.290  20.266
   92    H4'   DG   9           H4*       DG   9  10.139   3.539  20.176
   93    H3'   DG   9           H3*       DG   9   9.900   1.535  22.457
   94    H2'   DG   9          1H2*       DG   9   7.771   2.334  22.830
   95   H2''   DG   9          2H2*       DG   9   8.165   3.947  22.114
   96    H1'   DG   9           H1*       DG   9   7.315   3.366  20.205
   97    H8    DG   9           H8        DG   9   7.734  -0.441  20.723
   98    H1    DG   9           H1        DG   9   1.727   1.778  21.341
   99    H21   DG   9           1H2       DG   9   3.430   4.822  21.443
  100    H22   DG   9           2H2       DG   9   1.843   4.036  21.533
  101    H5'   DT  10          1H5*       DT  10   8.962   5.744  23.214
  102   H5''   DT  10          2H5*       DT  10   9.512   6.340  24.787
  103    H4'   DT  10           H4*       DT  10   7.121   6.883  24.231
  104    H3'   DT  10           H3*       DT  10   8.091   5.620  26.676
  105    H2'   DT  10          1H2*       DT  10   6.446   4.125  26.973
  106   H2''   DT  10          2H2*       DT  10   5.248   5.439  26.968
  107    H1'   DT  10           H1*       DT  10   4.648   5.204  24.808
  108    H3    DT  10           H3        DT  10   2.683   1.135  24.581
  109    H71   DT  10           3H7       DT  10   7.076  -0.717  23.754
  110    H72   DT  10           1H7       DT  10   8.124   0.397  24.664
  111    H73   DT  10           2H7       DT  10   7.073  -0.794  25.491
  112    H6    DT  10           H6        DT  10   7.251   2.560  25.068
  113    H5'   DC  11          1H5*       DC  11   4.237   7.863  26.925
  114   H5''   DC  11          2H5*       DC  11   4.104   8.910  28.339
  115    H4'   DC  11           H4*       DC  11   2.050   7.723  28.092
  116    H3'   DC  11           H3*       DC  11   3.657   7.445  30.471
  117    H2'   DC  11          1H2*       DC  11   3.729   5.149  30.472
  118   H2''   DC  11          2H2*       DC  11   2.030   5.201  30.978
  119    H1'   DC  11           H1*       DC  11   1.210   5.033  28.780
  120    H41   DC  11           1H4       DC  11   4.677  -0.509  27.562
  121    H42   DC  11           2H4       DC  11   2.953  -0.859  27.511
  122    H5    DC  11           H5        DC  11   5.488   1.671  28.195
  123    H6    DC  11           H6        DC  11   4.798   4.000  28.716
  124    H5'   DC  12          1H5*       DC  12  -0.893   6.472  31.003
  125   H5''   DC  12          2H5*       DC  12  -1.488   7.083  32.541
  126    H4'   DC  12           H4*       DC  12  -2.372   4.915  32.387
  127    H3'   DC  12           H3*       DC  12   0.120   4.827  34.106
  128   HO3'   DC  12          H3T        DC  12  -1.556   5.771  35.262
  129    H2'   DC  12          1H2*       DC  12  -0.134   2.524  34.312
  130   H2''   DC  12          2H2*       DC  12  -1.895   2.600  34.155
  131    H1'   DC  12           H1*       DC  12  -1.774   2.236  31.925
  132    H41   DC  12           1H4       DC  12   4.316  -0.286  31.073
  133    H42   DC  12           2H4       DC  12   3.114  -1.538  30.684
  134    H5    DC  12           H5        DC  12   3.714   1.891  31.791
  135    H6    DC  12           H6        DC  12   1.797   3.353  32.361
  136    H5'   DG  13          1H5*       DG  13  -0.192 -11.583  30.003
  137   H5''   DG  13          2H5*       DG  13  -1.202 -11.570  28.584
  138    H4'   DG  13           H4*       DG  13  -2.432 -10.513  30.374
  139    H3'   DG  13           H3*       DG  13  -1.410  -8.548  28.323
  140    H2'   DG  13          1H2*       DG  13  -2.501  -6.802  29.564
  141   H2''   DG  13          2H2*       DG  13  -3.392  -7.986  30.569
  142    H1'   DG  13           H1*       DG  13  -1.656  -7.613  32.027
  143    H8    DG  13           H8        DG  13   1.344  -8.497  30.032
  144    H1    DG  13           H1        DG  13   0.670  -2.135  30.910
  145    H21   DG  13           1H2       DG  13  -2.626  -3.022  31.612
  146    H22   DG  13           2H2       DG  13  -1.438  -1.732  31.484
  147   HO5'   DG  13          H5T        DG  13   0.958 -10.937  28.079
  148    H5'   DG  14          1H5*       DG  14  -5.106  -7.321  29.372
  149   H5''   DG  14          2H5*       DG  14  -6.348  -7.366  28.174
  150    H4'   DG  14           H4*       DG  14  -6.476  -5.295  29.369
  151    H3'   DG  14           H3*       DG  14  -6.588  -5.405  26.647
  152    H2'   DG  14          1H2*       DG  14  -4.327  -4.740  26.245
  153   H2''   DG  14          2H2*       DG  14  -5.085  -3.116  26.276
  154    H1'   DG  14           H1*       DG  14  -4.557  -2.706  28.480
  155    H8    DG  14           H8        DG  14  -2.251  -5.631  27.535
  156    H1    DG  14           H1        DG  14   0.640   0.110  27.935
  157    H21   DG  14           1H2       DG  14  -2.658   1.182  28.443
  158    H22   DG  14           2H2       DG  14  -0.959   1.644  28.372
  159    H5'   DA  15          1H5*       DA  15  -6.625  -0.945  27.798
  160   H5''   DA  15          2H5*       DA  15  -8.067  -0.220  27.069
  161    H4'   DA  15           H4*       DA  15  -6.350   1.367  26.766
  162    H3'   DA  15           H3*       DA  15  -7.498   0.199  24.470
  163    H2'   DA  15          1H2*       DA  15  -5.554  -1.096  23.991
  164   H2''   DA  15          2H2*       DA  15  -5.235   0.382  23.033
  165    H1'   DA  15           H1*       DA  15  -4.015   1.381  24.917
  166    H8    DA  15           H8        DA  15  -3.775  -2.445  24.349
  167    H61   DA  15           2H6       DA  15   1.210  -2.497  24.033
  168    H62   DA  15           1H6       DA  15   2.385  -1.204  24.289
  169    H2    DA  15           H2        DA  15   0.283   2.499  25.137
  170    H5'   DC  16          1H5*       DC  16  -5.766   4.670  24.401
  171   H5''   DC  16          2H5*       DC  16  -6.506   5.659  23.142
  172    H4'   DC  16           H4*       DC  16  -4.140   6.254  23.617
  173    H3'   DC  16           H3*       DC  16  -5.243   5.859  21.001
  174    H2'   DC  16          1H2*       DC  16  -3.977   4.046  20.433
  175   H2''   DC  16          2H2*       DC  16  -2.712   5.218  20.085
  176    H1'   DC  16           H1*       DC  16  -1.708   5.005  22.248
  177    H41   DC  16           1H4       DC  16  -1.048  -1.478  21.160
  178    H42   DC  16           2H4       DC  16   0.556  -0.668  21.131
  179    H5    DC  16           H5        DC  16  -3.084  -0.223  21.507
  180    H6    DC  16           H6        DC  16  -3.973   2.009  21.880
  181    H5'   DT  17          1H5*       DT  17  -0.797   7.472  21.430
  182   H5''   DT  17          2H5*       DT  17  -0.824   9.054  20.634
  183    H4'   DT  17           H4*       DT  17   1.348   8.101  20.368
  184    H3'   DT  17           H3*       DT  17  -0.233   8.566  17.989
  185    H2'   DT  17          1H2*       DT  17  -0.125   6.386  17.249
  186   H2''   DT  17          2H2*       DT  17   1.509   6.810  16.711
  187    H1'   DT  17           H1*       DT  17   2.488   6.072  18.786
  188    H3    DT  17           H3        DT  17   2.879   1.697  17.596
  189    H71   DT  17           3H7       DT  17  -1.820   1.280  18.754
  190    H72   DT  17           1H7       DT  17  -2.427   2.851  18.200
  191    H73   DT  17           2H7       DT  17  -1.875   1.608  17.013
  192    H6    DT  17           H6        DT  17  -0.884   4.574  18.562
  193    H5'   DT  18          1H5*       DT  18   4.406   8.025  17.408
  194   H5''   DT  18          2H5*       DT  18   5.036   9.234  16.284
  195    H4'   DT  18           H4*       DT  18   6.084   7.105  15.829
  196    H3'   DT  18           H3*       DT  18   4.367   8.418  13.807
  197    H2'   DT  18          1H2*       DT  18   3.494   6.503  12.951
  198   H2''   DT  18          2H2*       DT  18   5.133   5.959  12.553
  199    H1'   DT  18           H1*       DT  18   5.420   4.749  14.500
  200    H3    DT  18           H3        DT  18   2.735   1.131  14.296
  201    H71   DT  18           3H7       DT  18  -0.411   5.560  14.786
  202    H72   DT  18           1H7       DT  18  -0.963   4.246  13.733
  203    H73   DT  18           2H7       DT  18  -0.919   3.988  15.475
  204    H6    DT  18           H6        DT  18   1.852   5.851  14.607
  205    H5'   DG  19          1H5*       DG  19   7.989   5.876  12.478
  206   H5''   DG  19          2H5*       DG  19   8.970   6.687  11.245
  207    H4'   DG  19           H4*       DG  19   8.787   4.430  10.544
  208    H3'   DG  19           H3*       DG  19   7.361   6.428   8.959
  209    H2'   DG  19          1H2*       DG  19   5.368   5.324   9.031
  210   H2''   DG  19          2H2*       DG  19   6.074   4.197   7.866
  211    H1'   DG  19           H1*       DG  19   6.777   2.712   9.506
  212    H8    DG  19           H8        DG  19   3.620   4.787  10.359
  213    H1    DG  19           H1        DG  19   3.174  -1.582  11.226
  214    H21   DG  19           1H2       DG  19   6.549  -1.447  10.234
  215    H22   DG  19           2H2       DG  19   5.210  -2.500  10.687
  216    H5'   DC  20          1H5*       DC  20   9.100   2.517   7.869
  217   H5''   DC  20          2H5*       DC  20   9.877   2.287   6.311
  218    H4'   DC  20           H4*       DC  20   8.786   0.283   7.117
  219    H3'   DC  20           H3*       DC  20   8.104   1.474   4.533
  220    H2'   DC  20          1H2*       DC  20   5.823   1.301   4.839
  221   H2''   DC  20          2H2*       DC  20   6.061  -0.483   4.680
  222    H1'   DC  20           H1*       DC  20   6.222  -0.811   6.981
  223    H41   DC  20           1H4       DC  20   0.514   2.214   8.328
  224    H42   DC  20           2H4       DC  20   0.287   0.457   8.496
  225    H5    DC  20           H5        DC  20   2.530   3.139   7.408
  226    H6    DC  20           H6        DC  20   4.843   2.634   6.810
  227    H5'   DT  21          1H5*       DT  21   7.545  -3.034   5.256
  228   H5''   DT  21          2H5*       DT  21   8.036  -4.054   3.887
  229    H4'   DT  21           H4*       DT  21   5.910  -4.826   4.869
  230    H3'   DT  21           H3*       DT  21   6.223  -4.173   2.088
  231    H2'   DT  21          1H2*       DT  21   4.592  -2.509   2.090
  232   H2''   DT  21          2H2*       DT  21   3.439  -3.875   1.988
  233    H1'   DT  21           H1*       DT  21   3.238  -4.036   4.342
  234    H3    DT  21           H3        DT  21   0.041  -1.052   5.416
  235    H71   DT  21           3H7       DT  21   3.144   2.427   4.154
  236    H72   DT  21           1H7       DT  21   4.017   1.616   2.830
  237    H73   DT  21           2H7       DT  21   2.343   2.126   2.588
  238    H6    DT  21           H6        DT  21   4.282  -0.627   3.216
  239    H5'   DA  22          1H5*       DA  22   2.456  -6.548   3.382
  240   H5''   DA  22          2H5*       DA  22   2.219  -7.977   2.384
  241    H4'   DA  22           H4*       DA  22   0.068  -7.159   2.715
  242    H3'   DA  22           H3*       DA  22   1.135  -6.619   0.020
  243    H2'   DA  22          1H2*       DA  22   0.064  -4.592  -0.111
  244   H2''   DA  22          2H2*       DA  22  -1.495  -5.472  -0.046
  245    H1'   DA  22           H1*       DA  22  -1.658  -5.257   2.270
  246    H8    DA  22           H8        DA  22   0.871  -2.543   1.159
  247    H61   DA  22           2H6       DA  22  -1.865   1.276   2.861
  248    H62   DA  22           1H6       DA  22  -3.379   1.244   3.752
  249    H2    DA  22           H2        DA  22  -5.005  -2.757   3.794
  250    H5'   DG  23          1H5*       DG  23  -3.077  -7.865   1.075
  251   H5''   DG  23          2H5*       DG  23  -3.730  -9.054  -0.077
  252    H4'   DG  23           H4*       DG  23  -5.515  -7.622   0.670
  253    H3'   DG  23           H3*       DG  23  -4.852  -7.751  -2.121
  254    H2'   DG  23          1H2*       DG  23  -4.464  -5.483  -2.295
  255   H2''   DG  23          2H2*       DG  23  -6.247  -5.331  -2.347
  256    H1'   DG  23           H1*       DG  23  -6.391  -4.930   0.016
  257    H8    DG  23           H8        DG  23  -2.882  -3.893  -1.261
  258    H1    DG  23           H1        DG  23  -6.399   0.779   1.435
  259    H21   DG  23           1H2       DG  23  -8.753  -1.762   1.719
  260    H22   DG  23           2H2       DG  23  -8.360  -0.090   2.096
  261    H5'   DC  24          1H5*       DC  24  -9.291  -6.701  -0.732
  262   H5''   DC  24          2H5*       DC  24 -10.462  -7.278  -1.937
  263    H4'   DC  24           H4*       DC  24 -11.142  -5.097  -1.119
  264    H3'   DC  24           H3*       DC  24 -10.376  -5.447  -3.983
  265   HO3'   DC  24          H3T        DC  24 -12.557  -4.842  -4.214
  266    H2'   DC  24          1H2*       DC  24  -9.789  -3.310  -4.290
  267   H2''   DC  24          2H2*       DC  24 -11.333  -2.727  -3.630
  268    H1'   DC  24           H1*       DC  24 -10.464  -2.428  -1.479
  269    H41   DC  24           1H4       DC  24  -4.517  -0.092  -3.407
  270    H42   DC  24           2H4       DC  24  -5.450   1.202  -2.659
  271    H5    DC  24           H5        DC  24  -5.443  -2.383  -3.648
  272    H6    DC  24           H6        DC  24  -7.444  -3.727  -3.269
  273    H1   2LE  25           H1       HNE  25  10.774   2.308  10.212
  274    H12  2LE  25           1H2      HNE  25   8.760   0.399  10.174
  275    H22  2LE  25           2H2      HNE  25   8.553   1.977  10.953
  276    H3   2LE  25           H3       HNE  25   9.387  -0.656  12.151
  277    H4   2LE  25           H4       HNE  25  10.778   0.318  13.646
  278    H15  2LE  25           2H5      HNE  25   9.061   2.817  13.501
  279    H25  2LE  25           1H5      HNE  25  10.804   2.980  13.897
  280    H16  2LE  25           1H6      HNE  25   8.649   1.569  15.383
  281    H26  2LE  25           2H6      HNE  25  10.341   1.189  15.683
  282    H17  2LE  25           1H7      HNE  25  10.901   3.365  16.432
  283    H27  2LE  25           2H7      HNE  25   9.442   2.881  17.248
  284    H18  2LE  25           1H8      HNE  25   8.142   4.205  15.464
  285    H28  2LE  25           2H8      HNE  25   9.003   5.071  16.763
  286    H19  2LE  25           3H9      HNE  25  10.921   5.395  15.140
  287    H29  2LE  25           1H9      HNE  25   9.813   4.885  13.860
  288    H39  2LE  25           2H9      HNE  25   9.425   6.332  14.851
  289    HO1  2LE  25           H1O      HNE  25  12.249   0.448  10.408