*HEADER    DNA                                     26-MAY-99   1COC              
*TITLE     SOLUTION-STATE STRUCTURE OF A DNA DODECAMER DUPLEX                    
*TITLE    2 CONTAINING A CIS-SYN THYMINE CYCLOBUTANE DIMER.                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*GP*CP*AP*CP*GP*AP*AP*TP*TP*AP*AP*G)-            
*COMPND   3 3');                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MOL_ID: 2;                                                           
*COMPND   7 MOLECULE: DNA (5'-D(*CP*TP*TP*AP*AP*TP*TP*CP*GP*TP*GP*C)-            
*COMPND   8 3');                                                                 
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    DNA STRUCTURE, NMR, UV-PHOTOPRODUCTS, BII BACKBONE                    
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    K.MCATEER, Y.JING, J.KAO, J.-S.TAYLOR, M.A.KENNEDY                    
*REVDAT   1   09-JUN-99 1COC    0                                                

!BIOSYM restraint 1
#NOE_distance
!   G     1
!   C     2
!   A     3
!   C     4
!   G     5
!   A     6
!   A     7
!   T     8
!   T     9
!   A     10
!   A     11
!   G     12
!   C     1
!   T     2
!   T     3
!   A     4
!   A     5
!   T     6
!   T     7
!   C     8
!   G     9
!   T     10
!   G     11
!   C     12
!     H-Bond Constraints 
!     Won't normally change 
1:G_1:O6            2:C_12:H42           1.70   2.10      0.000     30.000  30.000   100.00
1:G_1:H1            2:C_12:N3            1.70   2.10      0.000     30.000  30.000   100.00
1:G_1:H22           2:C_12:O2            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:H42           2:G_11:O6            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:N3            2:G_11:H1            1.70   2.10      0.000     30.000  30.000   100.00
1:C_2:O2            2:G_11:H22           1.70   2.10      0.000     30.000  30.000   100.00
1:A_3:H61           2:T_10:O4            1.70   2.10      0.000     30.000  30.000   100.00
1:A_3:N1            2:T_10:H3            1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:H42           2:G_9:O6             1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:N3            2:G_9:H1             1.70   2.10      0.000     30.000  30.000   100.00
1:C_4:O2            2:G_9:H22            1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:O6            2:C_8:H42            1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:H1            2:C_8:N3             1.70   2.10      0.000     30.000  30.000   100.00
1:G_5:H22           2:C_8:O2             1.70   2.10      0.000     30.000  30.000   100.00
1:A_6:H61           2:T_7:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_6:N1            2:T_7:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:A_7:H61           2:T_6:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_7:N1            2:T_6:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:T_8:O4            2:A_5:H61            1.70   2.10      0.000     30.000  30.000   100.00
1:T_8:H3            2:A_5:N1             1.70   2.10      0.000     30.000  30.000   100.00
1:T_9:O4            2:A_4:H61            1.70   2.10      0.000     30.000  30.000   100.00
1:T_9:H3            2:A_4:N1             1.70   2.10      0.000     30.000  30.000   100.00
1:A_10:H61          2:T_3:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_10:N1           2:T_3:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:A_11:H61          2:T_2:O4             1.70   2.10      0.000     30.000  30.000   100.00
1:A_11:N1           2:T_2:H3             1.70   2.10      0.000     30.000  30.000   100.00
1:G_12:O6           2:C_1:H42            1.70   2.10      0.000     30.000  30.000   100.00
1:G_12:H1           2:C_1:N3             1.70   2.10      0.000     30.000  30.000   100.00
!      (n)H6 to (n)H5
1:C_2:H6            1:C_2:H5             2.46   2.48      0.000     300.00  300.00   100.00
1:C_4:H6            1:C_4:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_1:H6            2:C_1:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_8:H6            2:C_8:H5             2.46   2.48      0.000     300.00  300.00   100.00
2:C_12:H6           2:C_12:H5            2.46   2.48      0.000     300.00  300.00   100.00
!      (n)H5 to (n-1)H8/H6
1:C_2:H5            1:G_1:H8             4.00   5.00      0.000     300.00  300.00   100.00
1:C_4:H5            1:A_3:H8             3.50   4.00      0.000     300.00  300.00   100.00
2:C_8:H5            2:T_7:H6             3.50   4.00      0.000     300.00  300.00   100.00
2:C_12:H5           2:G_11:H8            4.00   5.00      0.000     300.00  300.00   100.00
!      (n)H2 to (n)H1'
1:A_3:H2            1:A_3:H1'            4.20   4.50      0.000     100.00  100.00   100.00
1:A_6:H2            1:A_6:H1'            4.20   4.50      0.000     100.00  100.00   100.00
1:A_7:H2            1:A_7:H1'            4.20   4.50      0.000     100.00  100.00   100.00
1:A_10:H2           1:A_10:H1'           4.20   4.50      0.000     100.00  100.00   100.00
1:A_11:H2           1:A_11:H1'           4.20   4.50      0.000     100.00  100.00   100.00
2:A_4:H2            2:A_4:H1'            4.20   4.50      0.000     100.00  100.00   100.00
2:A_5:H2            2:A_5:H1'            4.20   4.50      0.000     100.00  100.00   100.00
!      (n)H2 to (n+1)H1'
1:A_3:H2            1:C_4:H1'            3.90   4.10      0.000     100.00  100.00   100.00
1:A_6:H2            1:A_7:H1'            3.90   4.10      0.000     100.00  100.00   100.00
1:A_7:H2            1:T_8:H1'            3.90   4.10      0.000     100.00  100.00   100.00
1:A_10:H2           1:A_11:H1'           4.10   4.30      0.000     100.00  100.00   100.00
1:A_11:H2           1:G_12:H1'           3.90   4.10      0.000     100.00  100.00   100.00
2:A_4:H2            2:A_5:H1'            4.20   4.40      0.000     100.00  100.00   100.00
2:A_5:H2            2:T_6:H1'            3.90   4.10      0.000     100.00  100.00   100.00
!      (n)H2 to (m+1)H1'
1:A_3:H2            2:G_11:H1'           4.20   4.60      0.000     100.00  100.00   100.00
1:A_6:H2            2:C_8:H1'            4.00   4.40      0.000     100.00  100.00   100.00
1:A_7:H2            2:T_7:H1'            4.00   4.40      0.000     100.00  100.00   100.00
1:A_10:H2           2:A_4:H1'            4.80   5.00      0.000     100.00  100.00   100.00
1:A_11:H2           2:T_3:H1'            4.50   4.80      0.000     100.00  100.00   100.00
2:A_4:H2            1:A_10:H1'           4.50   5.00      0.000     100.00  100.00   100.00
2:A_5:H2            1:T_9:H1'            4.50   4.80      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H8/H6
!      will not normally change
1:G_1:H1'           1:G_1:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:C_2:H1'           1:C_2:H6             3.50   3.70      0.000     500.00  500.00   100.00
1:A_3:H1'           1:A_3:H8             3.40   3.60      0.000     500.00  500.00   100.00
1:C_4:H1'           1:C_4:H6             3.40   3.60      0.000     500.00  500.00   100.00
1:G_5:H1'           1:G_5:H8             3.70   3.90      0.000     500.00  500.00   100.00
1:A_6:H1'           1:A_6:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:A_7:H1'           1:A_7:H8             3.50   3.70      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_8:H6             3.50   3.70      0.000     500.00  500.00   100.00
1:T_9:H1'           1:T_9:H6             3.40   3.60      0.000     500.00  500.00   100.00
1:A_10:H1'          1:A_10:H8            3.50   3.70      0.000     500.00  500.00   100.00
1:A_11:H1'          1:A_11:H8            3.40   3.60      0.000     500.00  500.00   100.00
1:G_12:H1'          1:G_12:H8            3.50   3.70      0.000     500.00  500.00   100.00
2:C_1:H1'           2:C_1:H6             3.50   3.70      0.000     500.00  500.00   100.00
2:T_2:H1'           2:T_2:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:T_3:H1'           2:T_3:H6             3.50   3.80      0.000     500.00  500.00   100.00
2:A_4:H1'           2:A_4:H8             3.40   3.60      0.000     500.00  500.00   100.00
2:A_5:H1'           2:A_5:H8             3.40   3.60      0.000     500.00  500.00   100.00
2:T_6:H1'           2:T_6:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:T_7:H1'           2:T_7:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:C_8:H1'           2:C_8:H6             3.50   3.80      0.000     500.00  500.00   100.00
2:G_9:H1'           2:G_9:H8             3.50   3.80      0.000     500.00  500.00   100.00
2:T_10:H1'          2:T_10:H6            3.40   3.60      0.000     500.00  500.00   100.00
2:G_11:H1'          2:G_11:H8            3.70   3.90      0.000     500.00  500.00   100.00
2:C_12:H1'          2:C_12:H6            3.50   3.70      0.000     500.00  500.00   100.00
!      (n-1)H1' to (n)H8/H6
!      constraints may change
1:G_1:H1'           1:C_2:H6             3.50   3.70      0.000     200.00  200.00   100.00
1:C_2:H1'           1:A_3:H8             3.50   3.70      0.000     200.00  200.00   100.00
1:A_3:H1'           1:C_4:H6             3.40   3.60      0.000     200.00  200.00   100.00
1:C_4:H1'           1:G_5:H8             3.80   4.00      0.000     200.00  200.00   100.00
1:G_5:H1'           1:A_6:H8             3.70   3.90      0.000     200.00  200.00   100.00
1:A_6:H1'           1:A_7:H8             3.40   3.60      0.000     200.00  200.00   100.00
1:A_7:H1'           1:T_8:H6             3.40   3.60      0.000     200.00  200.00   100.00
1:T_8:H1'           1:T_9:H6             3.40   3.60      0.000     200.00  200.00   100.00
1:T_9:H1'           1:A_10:H8            3.60   3.80      0.000     200.00  200.00   100.00
1:A_10:H1'          1:A_11:H8            3.80   4.00      0.000     200.00  200.00   100.00
1:A_11:H1'          1:G_12:H8            3.40   3.60      0.000     200.00  200.00   100.00
2:C_1:H1'           2:T_2:H6             3.50   3.70      0.000     200.00  200.00   100.00
2:T_2:H1'           2:T_3:H6             3.40   3.60      0.000     200.00  200.00   100.00
2:T_3:H1'           2:A_4:H8             3.70   3.90      0.000     200.00  200.00   100.00
2:A_4:H1'           2:A_5:H8             3.40   3.60      0.000     200.00  200.00   100.00
2:A_5:H1'           2:T_6:H6             3.40   3.60      0.000     200.00  200.00   100.00
2:T_6:H1'           2:T_7:H6             3.30   3.50      0.000     200.00  200.00   100.00
2:T_7:H1'           2:C_8:H6             3.40   3.60      0.000     200.00  200.00   100.00
2:C_8:H1'           2:G_9:H8             3.80   4.00      0.000     200.00  200.00   100.00
2:G_9:H1'           2:T_10:H6            3.50   3.70      0.000     200.00  200.00   100.00
2:T_10:H1'          2:G_11:H8            3.80   4.00      0.000     200.00  200.00   100.00
2:G_11:H1'          2:C_12:H6            3.50   3.70      0.000     200.00  200.00   100.00
!      (n)C5M to (n-1)H8/H6
1:T_8:C5M           1:A_7:H8             3.40   3.60      0.000     100.00  100.00   100.00
1:T_9:C5M           1:T_8:H6             3.10   3.30      0.000     100.00  100.00   100.00
2:T_2:C5M           2:C_1:H6             3.10   3.30      0.000     100.00  100.00   100.00
2:T_3:C5M           2:T_2:H6             3.20   3.40      0.000     100.00  100.00   100.00
2:T_6:C5M           2:A_5:H8             3.40   3.60      0.000     100.00  100.00   100.00
2:T_7:C5M           2:T_6:H6             3.40   3.60      0.000     100.00  100.00   100.00
2:T_10:C5M          2:G_9:H8             3.90   4.10      0.000     100.00  100.00   100.00
!      (n)C5M to (n)H6
1:T_8:C5M          1:T_8:H6              3.00   3.20      0.000     100.00  100.00   100.00
1:T_9:C5M          1:T_9:H6              3.00   3.20      0.000     100.00  100.00   100.00
2:T_2:C5M          2:T_2:H6              2.80   3.20      0.000     100.00  100.00   100.00
2:T_3:C5M          2:T_3:H6              2.80   3.20      0.000     100.00  100.00   100.00
2:T_6:C5M          2:T_6:H6              3.00   3.20      0.000     100.00  100.00   100.00
2:T_7:C5M          2:T_7:H6              3.00   3.20      0.000     100.00  100.00   100.00
2:T_10:C5M         2:T_10:H6             3.00   3.20      0.000     100.00  100.00   100.00
!      (n)H2' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'2          1:G_1:H8             2.75   2.95      0.000     500.00  500.00   100.00
1:C_2:H2'2          1:C_2:H6             2.45   2.65      0.000     500.00  500.00   100.00
1:A_3:H2'2          1:A_3:H8             2.75   2.95      0.000     500.00  500.00   100.00
1:C_4:H2'2          1:C_4:H6             2.35   2.55      0.000     500.00  500.00   100.00
1:G_5:H2'2          1:G_5:H8             2.75   2.95      0.000     500.00  500.00   100.00
1:A_6:H2'2          1:A_6:H8             2.75   2.95      0.000     500.00  500.00   100.00
1:A_7:H2'2          1:A_7:H8             2.75   2.95      0.000     500.00  500.00   100.00
1:T_8:H2'2          1:T_8:H6             2.35   2.65      0.000     500.00  500.00   100.00
1:T_9:H2'2          1:T_9:H6             2.55   2.75      0.000     500.00  500.00   100.00
1:A_10:H2'2         1:A_10:H8            2.75   2.95      0.000     500.00  500.00   100.00
1:A_11:H2'2         1:A_11:H8            2.75   2.95      0.000     500.00  500.00   100.00
1:G_12:H2'2         1:G_12:H8            2.65   2.85      0.000     500.00  500.00   100.00
2:C_1:H2'2          2:C_1:H6             2.75   2.95      0.000     500.00  500.00   100.00
2:T_2:H2'2          2:T_2:H6             2.25   2.45      0.000     500.00  500.00   100.00
2:T_3:H2'2          2:T_3:H6             2.25   2.45      0.000     500.00  500.00   100.00
2:A_4:H2'2          2:A_4:H8             2.75   2.95      0.000     500.00  500.00   100.00
2:A_5:H2'2          2:A_5:H8             2.75   2.95      0.000     500.00  500.00   100.00
2:T_6:H2'2          2:T_6:H6             2.55   2.85      0.000     500.00  500.00   100.00
2:T_7:H2'2          2:T_7:H6             2.05   2.25      0.000     500.00  500.00   100.00
2:C_8:H2'2          2:C_8:H6             2.25   2.45      0.000     500.00  500.00   100.00
2:G_9:H2'2          2:G_9:H8             2.55   2.95      0.000     500.00  500.00   100.00
2:T_10:H2'2         2:T_10:H6            2.55   2.85      0.000     500.00  500.00   100.00
2:G_11:H2'2         2:G_11:H8            2.95   3.15      0.000     500.00  500.00   100.00
2:C_12:H2'2         2:C_12:H6            2.45   2.65      0.000     500.00  500.00   100.00
!      (n-1)H2' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'2          1:C_2:H6             4.15   4.45      0.000     500.00  500.00   100.00
1:C_2:H2'2          1:A_3:H8             4.25   4.45      0.000     500.00  500.00   100.00
1:A_3:H2'2          1:C_4:H6             4.15   4.45      0.000     500.00  500.00   100.00
1:C_4:H2'2          1:G_5:H8             4.35   4.65      0.000     500.00  500.00   100.00
1:G_5:H2'2          1:A_6:H8             4.35   4.65      0.000     500.00  500.00   100.00
1:A_6:H2'2          1:A_7:H8             4.35   4.65      0.000     500.00  500.00   100.00
1:A_7:H2'2          1:T_8:H6             4.05   4.45      0.000     500.00  500.00   100.00
1:T_8:H2'2          1:T_9:H6             4.05   4.25      0.000     500.00  500.00   100.00
1:T_9:H2'2          1:A_10:H8            4.55   4.75      0.000     500.00  500.00   100.00
1:A_10:H2'2         1:A_11:H8            4.35   4.55      0.000     500.00  500.00   100.00
1:A_11:H2'2         1:G_12:H8            3.85   4.05      0.000     500.00  500.00   100.00
2:C_1:H2'2          2:T_2:H6             3.85   4.05      0.000     500.00  500.00   100.00
2:T_2:H2'2          2:T_3:H6             4.05   4.45      0.000     500.00  500.00   100.00
2:T_3:H2'2          2:A_4:H8             3.95   4.15      0.000     500.00  500.00   100.00
2:A_4:H2'2          2:A_5:H8             4.15   4.45      0.000     500.00  500.00   100.00
2:A_5:H2'2          2:T_6:H6             4.05   4.45      0.000     500.00  500.00   100.00
2:T_6:H2'2          2:T_7:H6             4.15   4.45      0.000     500.00  500.00   100.00
2:T_7:H2'2          2:C_8:H6             4.05   4.45      0.000     500.00  500.00   100.00
2:C_8:H2'2          2:G_9:H8             4.05   4.55      0.000     500.00  500.00   100.00
2:G_9:H2'2          2:T_10:H6            4.25   4.45      0.000     500.00  500.00   100.00
2:T_10:H2'2         2:G_11:H8            4.55   4.75      0.000     500.00  500.00   100.00
2:G_11:H2'2         2:C_12:H6            4.05   4.45      0.000     500.00  500.00   100.00
!      (n)H2'' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'1          1:G_1:H8             3.90   4.20      0.000     500.00  500.00   100.00
1:C_2:H2'1          1:C_2:H6             3.80   4.00      0.000     500.00  500.00   100.00
1:A_3:H2'1          1:A_3:H8             4.00   4.20      0.000     500.00  500.00   100.00
1:C_4:H2'1          1:C_4:H6             3.50   3.80      0.000     500.00  500.00   100.00
1:G_5:H2'1          1:G_5:H8             4.00   4.20      0.000     500.00  500.00   100.00
1:A_6:H2'1          1:A_6:H8             4.00   4.20      0.000     500.00  500.00   100.00
1:A_7:H2'1          1:A_7:H8             4.00   4.20      0.000     500.00  500.00   100.00
1:T_8:H2'1          1:T_8:H6             3.80   4.00      0.000     500.00  500.00   100.00
1:T_9:H2'1          1:T_9:H6             3.40   3.60      0.000     500.00  500.00   100.00
1:A_10:H2'1         1:A_10:H8            4.00   4.20      0.000     500.00  500.00   100.00
1:A_11:H2'1         1:A_11:H8            4.00   4.20      0.000     500.00  500.00   100.00
1:G_12:H2'1         1:G_12:H8            3.50   3.80      0.000     500.00  500.00   100.00
2:C_1:H2'1          2:C_1:H6             4.00   4.20      0.000     500.00  500.00   100.00
2:T_2:H2'1          2:T_2:H6             3.80   4.00      0.000     500.00  500.00   100.00
2:T_3:H2'1          2:T_3:H6             3.80   4.00      0.000     500.00  500.00   100.00
2:A_4:H2'1          2:A_4:H8             3.80   4.10      0.000     500.00  500.00   100.00
2:A_5:H2'1          2:A_5:H8             4.00   4.20      0.000     500.00  500.00   100.00
2:T_6:H2'1          2:T_6:H6             3.60   3.80      0.000     500.00  500.00   100.00
2:T_7:H2'1          2:T_7:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:C_8:H2'1          2:C_8:H6             3.40   3.60      0.000     500.00  500.00   100.00
2:G_9:H2'1          2:G_9:H8             3.80   4.20      0.000     500.00  500.00   100.00
2:T_10:H2'1         2:T_10:H6            4.00   4.20      0.000     500.00  500.00   100.00
2:G_11:H2'1         2:G_11:H8            4.00   4.20      0.000     500.00  500.00   100.00
2:C_12:H2'1         2:C_12:H6            3.50   3.70      0.000     500.00  500.00   100.00
!      (n-1)H2'' to (n)H8/H6 constraints
!      these constraints may change
1:G_1:H2'1          1:C_2:H6             2.70   3.00      0.000     500.00  500.00   100.00
1:C_2:H2'1          1:A_3:H8             3.00   3.20      0.000     500.00  500.00   100.00
1:A_3:H2'1          1:C_4:H6             3.00   3.20      0.000     500.00  500.00   100.00
1:C_4:H2'1          1:G_5:H8             3.70   3.90      0.000     500.00  500.00   100.00
1:G_5:H2'1          1:A_6:H8             3.00   3.20      0.000     500.00  500.00   100.00
1:A_6:H2'1          1:A_7:H8             3.00   3.20      0.000     500.00  500.00   100.00
1:A_7:H2'1          1:T_8:H6             3.00   3.20      0.000     500.00  500.00   100.00
1:T_8:H2'1          1:T_9:H6             3.00   3.20      0.000     500.00  500.00   100.00
1:T_9:H2'1          1:A_10:H8            2.60   2.80      0.000     500.00  500.00   100.00
1:A_10:H2'1         1:A_11:H8            3.20   3.40      0.000     500.00  500.00   100.00
1:A_11:H2'1         1:G_12:H8            3.00   3.20      0.000     500.00  500.00   100.00
2:C_1:H2'1          2:T_2:H6             2.60   2.80      0.000     500.00  500.00   100.00
2:T_2:H2'1          2:T_3:H6             2.60   3.00      0.000     500.00  500.00   100.00
2:T_3:H2'1          2:A_4:H8             2.60   2.80      0.000     500.00  500.00   100.00
2:A_4:H2'1          2:A_5:H8             2.80   3.00      0.000     500.00  500.00   100.00
2:A_5:H2'1          2:T_6:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:T_6:H2'1          2:T_7:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:T_7:H2'1          2:C_8:H6             2.80   3.00      0.000     500.00  500.00   100.00
2:C_8:H2'1          2:G_9:H8             2.80   3.00      0.000     500.00  500.00   100.00
2:G_9:H2'1          2:T_10:H6            2.90   3.10      0.000     500.00  500.00   100.00
2:T_10:H2'1         2:G_11:H8            3.40   3.60      0.000     500.00  500.00   100.00
2:G_11:H2'1         2:C_12:H6            3.00   3.20      0.000     500.00  500.00   100.00
!      (n)H3' to (n)H8/H6
1:G_1:H3'           1:G_1:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:C_2:H3'           1:C_2:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:A_3:H3'           1:A_3:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:C_4:H3'           1:C_4:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:G_5:H3'           1:G_5:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:A_6:H3'           1:A_6:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:A_7:H3'           1:A_7:H8             4.95   5.35      0.000     100.00  100.00   100.00
1:T_8:H3'           1:T_8:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:T_9:H3'           1:T_9:H6             3.85   4.25      0.000     100.00  100.00   100.00
1:A_10:H3'          1:A_10:H8            4.95   5.35      0.000     100.00  100.00   100.00
1:A_11:H3'          1:A_11:H8            4.95   5.35      0.000     100.00  100.00   100.00
1:G_12:H3'          1:G_12:H8            4.95   5.35      0.000     100.00  100.00   100.00
2:C_1:H3'           2:C_1:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_2:H3'           2:T_2:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_3:H3'           2:T_3:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:A_4:H3'           2:A_4:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:A_5:H3'           2:A_5:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:T_6:H3'           2:T_6:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:T_7:H3'           2:T_7:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:C_8:H3'           2:C_8:H6             3.85   4.25      0.000     100.00  100.00   100.00
2:G_9:H3'           2:G_9:H8             4.95   5.35      0.000     100.00  100.00   100.00
2:T_10:H3'          2:T_10:H6            3.85   4.25      0.000     100.00  100.00   100.00
2:G_11:H3'          2:G_11:H8            4.95   5.35      0.000     100.00  100.00   100.00
2:C_12:H3'          2:C_12:H6            3.85   4.25      0.000     100.00  100.00   100.00
!      (n-1)H3' to (n)H8/H6
1:G_1:H3'           1:C_2:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:C_2:H3'           1:A_3:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_3:H3'           1:C_4:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:C_4:H3'           1:G_5:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:G_5:H3'           1:A_6:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_6:H3'           1:A_7:H8             4.95   6.05      0.000     100.00  100.00   100.00
1:A_7:H3'           1:T_8:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:T_8:H3'           1:T_9:H6             4.95   6.05      0.000     100.00  100.00   100.00
1:T_9:H3'           1:A_10:H8            4.95   6.05      0.000     100.00  100.00   100.00
1:A_10:H3'          1:A_11:H8            4.95   6.05      0.000     100.00  100.00   100.00
1:A_11:H3'          1:G_12:H8            4.95   6.05      0.000     100.00  100.00   100.00
2:C_1:H3'           2:T_2:H6             4.05   6.05      0.000     100.00  100.00   100.00
2:T_2:H3'           2:T_3:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_3:H3'           2:A_4:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:A_4:H3'           2:A_5:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:A_5:H3'           2:T_6:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_6:H3'           2:T_7:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:T_7:H3'           2:C_8:H6             4.95   6.05      0.000     100.00  100.00   100.00
2:C_8:H3'           2:G_9:H8             4.95   6.05      0.000     100.00  100.00   100.00
2:G_9:H3'           2:T_10:H6            4.95   6.05      0.000     100.00  100.00   100.00
2:T_10:H3'          2:G_11:H8            4.95   6.05      0.000     100.00  100.00   100.00
2:G_11:H3'          2:C_12:H6            4.95   6.05      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H3'
1:G_1:H1'           1:G_1:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:C_2:H1'           1:C_2:H3'            3.70   3.90      0.000     100.00  100.00   100.00
1:A_3:H1'           1:A_3:H3'            4.00   4.20      0.000     100.00  100.00   100.00
1:C_4:H1'           1:C_4:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:G_5:H1'           1:G_5:H3'            3.80   4.20      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_6:H3'            3.80   4.00      0.000     100.00  100.00   100.00
1:A_7:H1'           1:A_7:H3'            3.70   3.90      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_8:H3'            3.60   3.80      0.000     100.00  100.00   100.00
1:T_9:H1'           1:T_9:H3'            3.70   3.90      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_10:H3'           4.00   4.20      0.000     100.00  100.00   100.00
1:A_11:H1'          1:A_11:H3'           3.80   4.20      0.000     100.00  100.00   100.00
1:G_12:H1'          1:G_12:H3'           3.80   4.00      0.000     100.00  100.00   100.00
2:C_1:H1'           2:C_1:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_2:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_3:H1'           2:T_3:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_4:H3'            3.80   4.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:A_5:H3'            3.70   3.90      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_6:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:T_7:H1'           2:T_7:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:C_8:H1'           2:C_8:H3'            3.80   4.20      0.000     100.00  100.00   100.00
2:G_9:H1'           2:G_9:H3'            3.70   3.90      0.000     100.00  100.00   100.00
2:T_10:H1'          2:T_10:H3'           3.70   3.90      0.000     100.00  100.00   100.00
2:G_11:H1'          2:G_11:H3'           3.80   4.20      0.000     100.00  100.00   100.00
2:C_12:H1'          2:C_12:H3'           3.80   4.20      0.000     100.00  100.00   100.00
!      (n)H2'1 to (n)H3'
1:G_1:H2'1          1:G_1:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:C_2:H2'1          1:C_2:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_3:H2'1          1:A_3:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:C_4:H2'1          1:C_4:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:G_5:H2'1          1:G_5:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_6:H2'1          1:A_6:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_7:H2'1          1:A_7:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:T_8:H2'1          1:T_8:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:T_9:H2'1          1:T_9:H3'            2.50   3.00      0.000     100.00  100.00   100.00
1:A_10:H2'1         1:A_10:H3'           2.50   3.00      0.000     100.00  100.00   100.00
1:A_11:H2'1         1:A_11:H3'           2.50   3.00      0.000     100.00  100.00   100.00
1:G_12:H2'1         1:G_12:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:C_1:H2'1          2:C_1:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_2:H2'1          2:T_2:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_3:H2'1          2:T_3:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:A_4:H2'1          2:A_4:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:A_5:H2'1          2:A_5:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_6:H2'1          2:T_6:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_7:H2'1          2:T_7:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:C_8:H2'1          2:C_8:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:G_9:H2'1          2:G_9:H3'            2.50   3.00      0.000     100.00  100.00   100.00
2:T_10:H2'1         2:T_10:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:G_11:H2'1         2:G_11:H3'           2.50   3.00      0.000     100.00  100.00   100.00
2:C_12:H2'1         2:C_12:H3'           2.50   3.00      0.000     100.00  100.00   100.00
!      (n)H1' to (n)H4'
!      constraints may change
!      sensitive to sugar pucker
!      range 2.6 and 3.8 A 
1:G_1:H1'           1:G_1:H4'            3.20   3.60      0.000     500.00  500.00   100.00
1:C_2:H1'           1:C_2:H4'            2.80   3.00      0.000     500.00  500.00   100.00
1:A_3:H1'           1:A_3:H4'            2.90   3.10      0.000     500.00  500.00   100.00
1:C_4:H1'           1:C_4:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:G_5:H1'           1:G_5:H4'            3.60   3.80      0.000     500.00  500.00   100.00
1:A_6:H1'           1:A_6:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:A_7:H1'           1:A_7:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:T_8:H1'           1:T_8:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:T_9:H1'           1:T_9:H4'            2.60   2.80      0.000     500.00  500.00   100.00
1:A_10:H1'          1:A_10:H4'           3.40   3.80      0.000     500.00  500.00   100.00
1:A_11:H1'          1:A_11:H4'           3.40   3.80      0.000     500.00  500.00   100.00
1:G_12:H1'          1:G_12:H4'           3.40   3.80      0.000     500.00  500.00   100.00
2:C_1:H1'           2:C_1:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:T_2:H1'           2:T_2:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:T_3:H1'           2:T_3:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:A_4:H1'           2:A_4:H4'            3.00   3.20      0.000     500.00  500.00   100.00
2:A_5:H1'           2:A_5:H4'            3.00   3.20      0.000     500.00  500.00   100.00
2:T_6:H1'           2:T_6:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:T_7:H1'           2:T_7:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:C_8:H1'           2:C_8:H4'            2.60   2.80      0.000     500.00  500.00   100.00
2:G_9:H1'           2:G_9:H4'            3.20   3.60      0.000     500.00  500.00   100.00
2:T_10:H1'          2:T_10:H4'           2.60   2.80      0.000     500.00  500.00   100.00
2:G_11:H1'          2:G_11:H4'           3.20   3.60      0.000     500.00  500.00   100.00
2:C_12:H1'          2:C_12:H4'           2.70   3.00      0.000     500.00  500.00   100.00
!      (n)H1' to (n)H5'
!      will not normally change
1:G_1:H5'2          1:G_1:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:C_2:H5'2          1:C_2:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_3:H5'2          1:A_3:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:C_4:H5'2          1:C_4:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:G_5:H5'2          1:G_5:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_6:H5'2          1:A_6:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_7:H5'2          1:A_7:H1'            5.00   6.00      0.000     300.00  300.00   100.00
1:T_8:H5'2          1:T_8:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:T_9:H5'2          1:T_9:H1'            5.05   6.00      0.000     300.00  300.00   100.00
1:A_10:H5'2         1:A_10:H1'           5.05   6.00      0.000     300.00  300.00   100.00
1:A_11:H5'2         1:A_11:H1'           5.05   6.00      0.000     300.00  300.00   100.00
1:G_12:H5'2         1:G_12:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:C_1:H5'2          2:C_1:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_2:H5'2          2:T_2:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_3:H5'2          2:T_3:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:A_4:H5'2          2:A_4:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:A_5:H5'2          2:A_5:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_6:H5'2          2:T_6:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_7:H5'2          2:T_7:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:C_8:H5'2          2:C_8:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:G_9:H5'2          2:G_9:H1'            5.05   6.00      0.000     300.00  300.00   100.00
2:T_10:H5'2         2:T_10:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:G_11:H5'2         2:G_11:H1'           5.05   6.00      0.000     300.00  300.00   100.00
2:C_12:H5'2         2:C_12:H1'           5.05   6.00      0.000     300.00  300.00   100.00
!      (n)H1' to (n)H5''
!      will not normally change
1:G_1:H5'1          1:G_1:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:C_2:H5'1          1:C_2:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_3:H5'1          1:A_3:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:C_4:H5'1          1:C_4:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:G_5:H5'1          1:G_5:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_6:H5'1          1:A_6:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_7:H5'1          1:A_7:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:T_8:H5'1          1:T_8:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:T_9:H5'1          1:T_9:H1'            4.55   5.00      0.000     300.00  300.00   100.00
1:A_10:H5'1         1:A_10:H1'           4.55   5.00      0.000     300.00  300.00   100.00
1:A_11:H5'1         1:A_11:H1'           4.55   5.00      0.000     300.00  300.00   100.00
1:G_12:H5'1         1:G_12:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:C_1:H5'1          2:C_1:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_2:H5'1          2:T_2:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_3:H5'1          2:T_3:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:A_4:H5'1          2:A_4:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:A_5:H5'1          2:A_5:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_6:H5'1          2:T_6:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_7:H5'1          2:T_7:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:C_8:H5'1          2:C_8:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:G_9:H5'1          2:G_9:H1'            4.55   5.00      0.000     300.00  300.00   100.00
2:T_10:H5'1         2:T_10:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:G_11:H5'1         2:G_11:H1'           4.55   5.00      0.000     300.00  300.00   100.00
2:C_12:H5'1         2:C_12:H1'           4.55   5.00      0.000     300.00  300.00   100.00
!      (n-1)H1' to (n)H5'
1:G_1:H1'           1:C_2:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:C_2:H1'           1:A_3:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_3:H1'           1:C_4:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:C_4:H1'           1:G_5:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:G_5:H1'           1:A_6:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_7:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:A_7:H1'           1:T_8:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_9:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
1:T_9:H1'           1:A_10:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_11:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
1:A_11:H1'          1:G_12:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:C_1:H1'           2:T_2:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_3:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_3:H1'           2:A_4:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_5:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:T_6:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_7:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:C_8:H1'           2:G_9:H5'2           4.05   5.00      0.000     100.00  100.00   100.00
2:G_9:H1'           2:T_10:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:T_10:H1'          2:G_11:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H5'2          4.05   5.00      0.000     100.00  100.00   100.00
!      (n-1)H1' to (n)H5''
1:G_1:H1'           1:C_2:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:C_2:H1'           1:A_3:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_3:H1'           1:C_4:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:C_4:H1'           1:G_5:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:G_5:H1'           1:A_6:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_6:H1'           1:A_7:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:A_7:H1'           1:T_8:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:T_8:H1'           1:T_9:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
1:T_9:H1'           1:A_10:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
1:A_10:H1'          1:A_11:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
1:A_11:H1'          1:G_12:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:C_1:H1'           2:T_2:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_2:H1'           2:T_3:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_3:H1'           2:A_4:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:A_4:H1'           2:A_5:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:A_5:H1'           2:T_6:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_6:H1'           2:T_7:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:C_8:H1'           2:G_9:H5'1           2.50   3.00      0.000     100.00  100.00   100.00
2:G_9:H1'           2:T_10:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:T_10:H1'          2:G_11:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H5'1          2.50   3.00      0.000     100.00  100.00   100.00
!      (n)H2 to (n-1)H2
1:A_6:H2            1:A_7:H2             3.40   3.80      0.000     800.00  800.00   100.00
1:A_10:H2           1:A_11:H2            3.40   3.80      0.000     800.00  800.00   100.00
2:A_4:H2            2:A_5:H2             3.40   3.80      0.000     800.00  800.00   100.00
!      (n)H5 to (n-1)H1'
1:G_1:H1'           1:C_2:H5             3.75   4.25      0.000     100.00  100.00   100.00
1:A_3:H1'           1:C_4:H5             3.75   4.25      0.000     100.00  100.00   100.00
2:T_7:H1'           2:C_8:H5             3.75   4.25      0.000     100.00  100.00   100.00
2:G_11:H1'          2:C_12:H5            3.75   4.25      0.000     100.00  100.00   100.00
!
#NMR_dihedral
!
1:G_1:C4'  1:G_1:C3'  1:G_1:O3'  1:C_2:P  -179.00 -150.00 90.000 90.000 500.00
1:C_2:C4'  1:C_2:C3'  1:C_2:O3'  1:A_3:P  -179.00 -150.00 90.000 90.000 500.00
1:A_3:C4'  1:A_3:C3'  1:A_3:O3'  1:C_4:P  -179.00 -150.00 90.000 90.000 500.00
1:C_4:C4'  1:C_4:C3'  1:C_4:O3'  1:G_5:P  -179.00 -150.00 90.000 90.000 500.00
1:G_5:C4'  1:G_5:C3'  1:G_5:O3'  1:A_6:P  -179.00 -150.00 90.000 90.000 500.00
1:A_6:C4'  1:A_6:C3'  1:A_6:O3'  1:A_7:P  -179.00 -150.00 90.000 90.000 500.00
1:A_7:C4'  1:A_7:C3'  1:A_7:O3'  1:T_8:P  -179.00 -150.00 90.000 90.000 500.00
1:T_8:C4'  1:T_8:C3'  1:T_8:O3'  1:T_9:P  -179.00 -150.00 90.000 90.000 500.00
1:T_9:C4'  1:T_9:C3'  1:T_9:O3'  1:A_10:P -179.00 -150.00 90.000 90.000 500.00
1:A_10:C4' 1:A_10:C3' 1:A_10:O3' 1:A_11:P -179.00 -150.00 90.000 90.000 500.00
1:A_11:C4' 1:A_11:C3' 1:A_11:O3' 1:G_12:P -179.00 -150.00 90.000 90.000 500.00
2:C_1:C4'  2:C_1:C3'  2:C_1:O3'  2:T_2:P  -179.00 -150.00 90.000 90.000 500.00
2:T_2:C4'  2:T_2:C3'  2:T_2:O3'  2:T_3:P  -179.00 -150.00 90.000 90.000 500.00
2:T_3:C4'  2:T_3:C3'  2:T_3:O3'  2:A_4:P  -179.00 -150.00 90.000 90.000 500.00
2:A_4:C4'  2:A_4:C3'  2:A_4:O3'  2:A_5:P  -179.00 -150.00 90.000 90.000 500.00
2:A_5:C4'  2:A_5:C3'  2:A_5:O3'  2:T_6:P  -179.00 -150.00 90.000 90.000 500.00
2:T_6:C4'  2:T_6:C3'  2:T_6:O3'  2:T_7:P  -179.00 -150.00 90.000 90.000 500.00
2:T_7:C4'  2:T_7:C3'  2:T_7:O3'  2:C_8:P  -179.00 -150.00 90.000 90.000 500.00
2:C_8:C4'  2:C_8:C3'  2:C_8:O3'  2:G_9:P  -179.00 -150.00 90.000 90.000 500.00
2:G_9:C4'  2:G_9:C3'  2:G_9:O3'  2:T_10:P -179.00 -150.00 90.000 90.000 500.00
2:T_10:C4' 2:T_10:C3' 2:T_10:O3' 2:G_11:P -179.00 -150.00 90.000 90.000 500.00
2:G_11:C4' 2:G_11:C3' 2:G_11:O3' 2:C_12:P -179.00 -150.00 90.000 90.000 500.00


  Entry H atom name         Submitted Coord H atom name
    1    H5*    G   1           H5*        G   1  10.720 -12.903   0.593
    2   2H2*    G   1          2H2*        G   1  10.787 -10.918   1.935
    3   1H2*    G   1          1H2*        G   1  11.293  -9.262   2.252
    4   1H5*    G   1          1H5*        G   1  12.686 -13.511  -0.332
    5   2H5*    G   1          2H5*        G   1  13.414 -13.454   1.277
    6    H4*    G   1           H4*        G   1  13.831 -11.379  -0.171
    7    H3*    G   1           H3*        G   1  13.203 -11.145   2.522
    8    H1*    G   1           H1*        G   1  11.769  -8.931  -0.200
    9    H8     G   1           H8         G   1   9.141 -11.558  -0.236
   10    H1     G   1           H1         G   1   7.166  -5.634  -1.693
   11   1H2     G   1          1H2         G   1  10.506  -4.770  -1.162
   12   2H2     G   1          2H2         G   1   8.911  -4.236  -1.645
   13   1H2*    C   2          1H2*        C   2  11.852  -3.261   3.616
   14   2H2*    C   2          2H2*        C   2  12.158  -5.033   3.455
   15   1H5*    C   2          1H5*        C   2  13.758  -6.704   0.112
   16   2H5*    C   2          2H5*        C   2  15.062  -6.133   1.161
   17    H4*    C   2           H4*        C   2  13.600  -4.211   0.136
   18    H3*    C   2           H3*        C   2  14.226  -4.266   2.870
   19    H1*    C   2           H1*        C   2  11.049  -3.108   1.292
   20   1H4     C   2          1H4         C   2   6.137  -7.599   2.161
   21   2H4     C   2          2H4         C   2   5.395  -6.041   1.846
   22    H5     C   2           H5         C   2   8.584  -7.853   2.402
   23    H6     C   2           H6         C   2  10.713  -6.635   2.302
   24   1H2*    A   3          1H2*        A   3   9.263   1.750   5.076
   25   2H2*    A   3          2H2*        A   3  10.264   0.293   4.840
   26   1H5*    A   3          1H5*        A   3  11.648  -0.595   1.005
   27   2H5*    A   3          2H5*        A   3  12.549   0.851   1.472
   28    H4*    A   3           H4*        A   3  10.197   1.362   1.232
   29    H3*    A   3           H3*        A   3  11.538   2.068   3.624
   30    H1*    A   3           H1*        A   3   7.791   0.960   3.128
   31    H8     A   3           H8         A   3   9.153  -2.172   4.340
   32   1H6     A   3          1H6         A   3   3.225  -3.666   5.316
   33   2H6     A   3          2H6         A   3   4.876  -4.241   5.443
   34    H2     A   3           H2         A   3   3.426   0.416   3.557
   35   1H2*    C   4          1H2*        C   4   4.986   4.937   7.441
   36   2H2*    C   4          2H2*        C   4   6.319   4.003   6.868
   37   1H5*    C   4          1H5*        C   4   6.990   3.827   2.712
   38   2H5*    C   4          2H5*        C   4   7.302   5.548   3.001
   39    H4*    C   4           H4*        C   4   4.865   4.912   3.547
   40    H3*    C   4           H3*        C   4   6.419   6.025   5.730
   41    H1*    C   4           H1*        C   4   3.468   3.691   5.657
   42   1H4     C   4          1H4         C   4   5.075  -2.353   7.993
   43   2H4     C   4          2H4         C   4   3.348  -2.113   8.202
   44    H5     C   4           H5         C   4   6.537  -0.566   6.916
   45    H6     C   4           H6         C   4   6.477   1.771   6.165
   46   1H2*    G   5          1H2*        G   5   0.333   5.964  10.866
   47   2H2*    G   5          2H2*        G   5   1.679   5.574   9.757
   48   1H5*    G   5          1H5*        G   5   1.573   5.277   6.000
   49   2H5*    G   5          2H5*        G   5   1.167   6.994   6.000
   50    H4*    G   5           H4*        G   5  -0.604   6.278   6.767
   51    H3*    G   5           H3*        G   5   0.774   7.606   8.749
   52    H1*    G   5           H1*        G   5  -1.124   4.451   9.798
   53    H8     G   5           H8         G   5   2.450   2.984   9.248
   54    H1     G   5           H1         G   5  -1.632  -0.415  12.813
   55   1H2     G   5          1H2         G   5  -4.014   1.938  11.753
   56   2H2     G   5          2H2         G   5  -3.712   0.453  12.630
   57   1H2*    A   6          1H2*        A   6  -3.442   5.857  15.472
   58   2H2*    A   6          2H2*        A   6  -2.216   6.240  14.238
   59   1H5*    A   6          1H5*        A   6  -3.303   5.606  10.170
   60   2H5*    A   6          2H5*        A   6  -4.227   7.042  10.615
   61    H4*    A   6           H4*        A   6  -4.867   4.885  11.992
   62    H3*    A   6           H3*        A   6  -4.220   7.373  13.314
   63    H1*    A   6           H1*        A   6  -3.894   3.701  14.349
   64    H8     A   6           H8         A   6  -0.353   4.369  13.415
   65   1H6     A   6          1H6         A   6   0.891  -0.898  16.356
   66   2H6     A   6          2H6         A   6   1.576   0.447  15.468
   67    H2     A   6           H2         A   6  -3.505  -0.215  16.554
   68   1H2*    A   7          1H2*        A   7  -6.908   3.622  19.996
   69   2H2*    A   7          2H2*        A   7  -6.096   4.662  18.785
   70   1H5*    A   7          1H5*        A   7  -6.821   3.865  14.754
   71   2H5*    A   7          2H5*        A   7  -8.321   4.614  15.326
   72    H4*    A   7           H4*        A   7  -7.739   2.261  16.428
   73    H3*    A   7           H3*        A   7  -8.442   4.527  18.027
   74    H1*    A   7           H1*        A   7  -6.183   1.632  18.684
   75    H8     A   7           H8         A   7  -3.538   4.139  17.923
   76   1H6     A   7          1H6         A   7   0.467  -0.246  19.485
   77   2H6     A   7          2H6         A   7   0.269   1.404  18.945
   78    H2     A   7           H2         A   7  -3.712  -1.840  19.987
   79   1H5*    T   8          1H5*        T   8  -8.005   0.029  19.365
   80   2H5*    T   8          2H5*        T   8  -9.658  -0.268  19.926
   81    H4*    T   8           H4*        T   8  -7.932  -1.846  21.162
   82    H3*    T   8           H3*        T   8  -9.490   0.055  22.683
   83   1H2*    T   8          1H2*        T   8  -7.801  -0.112  24.557
   84   2H2*    T   8          2H2*        T   8  -7.635   1.205  23.324
   85    H1*    T   8           H1*        T   8  -6.128  -1.469  23.287
   86    H3     T   8           H3         T   8  -1.725  -0.384  23.332
   87   1H5M    T   8          1H5M        T   8  -4.210   3.797  20.915
   88   2H5M    T   8          2H5M        T   8  -3.274   4.237  22.342
   89   3H5M    T   8          3H5M        T   8  -2.435   3.579  20.941
   90    H6     T   8           H6         T   8  -5.725   2.046  22.244
   91   1H5*    T   9          1H5*        T   9  -7.313  -3.768  24.694
   92   2H5*    T   9          2H5*        T   9  -8.441  -4.431  25.879
   93    H4*    T   9           H4*        T   9  -5.920  -4.606  26.476
   94    H3*    T   9           H3*        T   9  -7.678  -3.373  28.394
   95   1H2*    T   9          1H2*        T   9  -5.434  -2.171  29.516
   96   2H2*    T   9          2H2*        T   9  -6.684  -1.488  28.398
   97    H1*    T   9           H1*        T   9  -4.035  -3.029  27.829
   98    H3     T   9           H3         T   9  -0.855  -0.015  26.762
   99   1H5M    T   9          1H5M        T   9  -3.924   2.812  24.652
  100   2H5M    T   9          2H5M        T   9  -5.516   2.041  24.939
  101   3H5M    T   9          3H5M        T   9  -4.782   3.071  26.167
  102    H6     T   9           H6         T   9  -5.617  -0.081  26.587
  103   1H2*    A  10          1H2*        A  10  -1.458  -5.031  33.480
  104   2H2*    A  10          2H2*        A  10  -2.989  -4.608  32.703
  105   1H5*    A  10          1H5*        A  10  -3.592  -5.415  28.814
  106   2H5*    A  10          2H5*        A  10  -3.909  -6.791  29.878
  107    H4*    A  10           H4*        A  10  -1.518  -6.282  29.636
  108    H3*    A  10           H3*        A  10  -2.652  -6.994  32.030
  109    H1*    A  10           H1*        A  10  -0.163  -3.947  31.701
  110    H8     A  10           H8         A  10  -3.435  -2.186  31.487
  111   1H6     A  10          1H6         A  10  -0.133   2.948  32.232
  112   2H6     A  10          2H6         A  10  -1.737   2.254  32.188
  113    H2     A  10           H2         A  10   2.701  -0.515  31.917
  114   1H2*    A  11          1H2*        A  11   3.410  -4.305  36.863
  115   2H2*    A  11          2H2*        A  11   1.808  -4.888  36.254
  116   1H5*    A  11          1H5*        A  11   1.838  -5.658  32.013
  117   2H5*    A  11          2H5*        A  11   2.696  -6.992  32.793
  118    H4*    A  11           H4*        A  11   3.952  -5.065  32.946
  119    H3*    A  11           H3*        A  11   3.386  -6.476  35.286
  120    H1*    A  11           H1*        A  11   3.451  -2.682  35.306
  121    H8     A  11           H8         A  11  -0.151  -3.041  35.604
  122   1H6     A  11          1H6         A  11  -0.959   2.152  35.132
  123   2H6     A  11          2H6         A  11   0.208   3.124  35.896
  124    H2     A  11           H2         A  11   4.131   1.519  34.796
  125   3HO*    G  12          3HO*        G  12   8.604  -0.591  39.375
  126   2H2*    G  12          2H2*        G  12   5.743  -2.474  38.969
  127   1H2*    G  12          1H2*        G  12   6.363  -1.131  39.967
  128   1H5*    G  12          1H5*        G  12   6.282  -2.792  35.113
  129   2H5*    G  12          2H5*        G  12   7.808  -3.353  35.806
  130    H4*    G  12           H4*        G  12   7.770  -1.060  36.077
  131    H3*    G  12           H3*        G  12   8.040  -2.574  38.371
  132    H1*    G  12           H1*        G  12   5.845   0.509  38.388
  133    H8     G  12           H8         G  12   3.149  -2.018  38.781
  134    H1     G  12           H1         G  12   1.302   4.065  38.090
  135   1H2     G  12          1H2         G  12   3.062   5.338  37.506
  136   2H2     G  12          2H2         G  12   4.659   4.651  37.270
  137    H5*    C   1           H5*        C   1  -3.872  11.391  39.799
  138   2H2*    C   1          2H2*        C   1  -1.393  10.241  37.186
  139   1H2*    C   1          1H2*        C   1   0.390  10.137  36.771
  140   1H5*    C   1          1H5*        C   1  -2.421  10.311  41.313
  141   2H5*    C   1          2H5*        C   1  -2.044  11.976  40.843
  142    H4*    C   1           H4*        C   1   0.011  10.273  40.622
  143    H3*    C   1           H3*        C   1  -0.939  11.849  38.390
  144    H1*    C   1           H1*        C   1   0.806   8.517  38.576
  145   1H4     C   1          1H4         C   1  -3.150   3.338  37.510
  146   2H4     C   1          2H4         C   1  -1.493   2.772  37.574
  147    H5     C   1           H5         C   1  -3.722   5.716  37.644
  148    H6     C   1           H6         C   1  -2.786   7.975  37.832
  149   1H5*    T   2          1H5*        T   2   3.383   9.732  38.491
  150   2H5*    T   2          2H5*        T   2   4.572  10.932  37.963
  151    H4*    T   2           H4*        T   2   5.099   8.571  37.107
  152    H3*    T   2           H3*        T   2   4.588  10.649  35.126
  153   1H2*    T   2          1H2*        T   2   4.446   8.607  33.339
  154   2H2*    T   2          2H2*        T   2   2.989   9.471  34.141
  155    H1*    T   2           H1*        T   2   4.295   6.867  35.030
  156    H3     T   2           H3         T   2   1.333   3.638  34.296
  157   1H5M    T   2          1H5M        T   2  -1.477   8.141  35.405
  158   2H5M    T   2          2H5M        T   2  -1.836   7.555  33.784
  159   3H5M    T   2          3H5M        T   2  -2.282   6.557  35.160
  160    H6     T   2           H6         T   2   1.003   8.349  34.869
  161   1H5*    T   3          1H5*        T   3   7.272   6.857  34.607
  162   2H5*    T   3          2H5*        T   3   8.796   7.340  33.834
  163    H4*    T   3           H4*        T   3   8.045   4.923  33.294
  164    H3*    T   3           H3*        T   3   8.469   6.756  31.086
  165   1H2*    T   3          1H2*        T   3   7.041   4.914  29.591
  166   2H2*    T   3          2H2*        T   3   6.338   6.448  30.287
  167    H1*    T   3           H1*        T   3   6.297   3.658  31.503
  168    H3     T   3           H3         T   3   1.893   2.636  31.269
  169   1H5M    T   3          1H5M        T   3   2.179   7.901  32.275
  170   2H5M    T   3          2H5M        T   3   1.444   7.717  30.681
  171   3H5M    T   3          3H5M        T   3   0.628   7.038  32.089
  172    H6     T   3           H6         T   3   4.312   6.791  31.429
  173   1H2*    A   4          1H2*        A   4   7.124   0.440  26.293
  174   2H2*    A   4          2H2*        A   4   7.505   2.022  26.984
  175   1H5*    A   4          1H5*        A   4   8.507   2.239  31.057
  176   2H5*    A   4          2H5*        A   4   9.961   1.643  30.253
  177    H4*    A   4           H4*        A   4   8.073   0.042  30.151
  178    H3*    A   4           H3*        A   4   9.439   0.743  27.781
  179    H1*    A   4           H1*        A   4   5.727  -0.158  28.214
  180    H8     A   4           H8         A   4   5.356   3.441  27.932
  181   1H6     A   4          1H6         A   4  -0.675   2.334  27.465
  182   2H6     A   4          2H6         A   4   0.557   3.571  27.590
  183    H2     A   4           H2         A   4   1.456  -1.571  27.765
  184   1H2*    A   5          1H2*        A   5   5.185  -4.964  23.774
  185   2H2*    A   5          2H2*        A   5   6.309  -3.647  24.295
  186   1H5*    A   5          1H5*        A   5   6.811  -2.967  28.315
  187   2H5*    A   5          2H5*        A   5   7.892  -4.310  27.890
  188    H4*    A   5           H4*        A   5   5.456  -4.912  27.808
  189    H3*    A   5           H3*        A   5   7.031  -5.634  25.644
  190    H1*    A   5           H1*        A   5   3.566  -4.208  25.321
  191    H8     A   5           H8         A   5   5.370  -1.104  24.758
  192   1H6     A   5          1H6         A   5  -0.209   1.433  24.074
  193   2H6     A   5          2H6         A   5   1.515   1.743  24.058
  194    H2     A   5           H2         A   5  -0.638  -2.967  24.911
  195   1H5*    T   6          1H5*        T   6   2.359  -6.806  25.800
  196   2H5*    T   6          2H5*        T   6   2.419  -8.555  25.524
  197    H4*    T   6           H4*        T   6   0.202  -7.400  24.613
  198    H3*    T   6           H3*        T   6   1.887  -8.965  22.871
  199   1H2*    T   6          1H2*        T   6   0.837  -7.624  20.815
  200   2H2*    T   6          2H2*        T   6   2.384  -7.306  21.560
  201    H1*    T   6           H1*        T   6  -0.422  -6.060  22.221
  202    H3     T   6           H3         T   6  -0.491  -1.806  20.821
  203   1H5M    T   6          1H5M        T   6   4.016  -1.192  21.928
  204   2H5M    T   6          2H5M        T   6   4.649  -2.828  22.238
  205   3H5M    T   6          3H5M        T   6   4.441  -2.251  20.577
  206    H6     T   6           H6         T   6   2.985  -4.895  22.047
  207   1H5*    T   7          1H5*        T   7  -2.778  -7.803  22.014
  208   2H5*    T   7          2H5*        T   7  -3.512  -9.313  21.458
  209    H4*    T   7           H4*        T   7  -4.588  -7.190  20.348
  210    H3*    T   7           H3*        T   7  -3.519  -9.256  18.676
  211   1H2*    T   7          1H2*        T   7  -3.040  -7.431  16.773
  212   2H2*    T   7          2H2*        T   7  -1.806  -7.788  17.976
  213    H1*    T   7           H1*        T   7  -3.916  -5.528  18.182
  214    H3     T   7           H3         T   7  -1.386  -1.833  17.370
  215   1H5M    T   7          1H5M        T   7   2.426  -5.037  17.634
  216   2H5M    T   7          2H5M        T   7   2.484  -3.893  18.982
  217   3H5M    T   7          3H5M        T   7   2.019  -5.587  19.268
  218    H6     T   7           H6         T   7  -0.474  -6.340  18.716
  219   1H2*    C   8          1H2*        C   8  -5.368  -4.664  12.086
  220   2H2*    C   8          2H2*        C   8  -4.806  -5.836  13.298
  221   1H5*    C   8          1H5*        C   8  -6.703  -5.867  17.106
  222   2H5*    C   8          2H5*        C   8  -7.821  -6.806  16.099
  223    H4*    C   8           H4*        C   8  -7.541  -4.326  15.327
  224    H3*    C   8           H3*        C   8  -7.019  -6.422  13.428
  225    H1*    C   8           H1*        C   8  -5.666  -2.892  13.807
  226   1H4     C   8          1H4         C   8   0.977  -3.464  14.667
  227   2H4     C   8          2H4         C   8   0.680  -1.847  14.059
  228    H5     C   8           H5         C   8  -0.855  -5.025  15.231
  229    H6     C   8           H6         C   8  -3.246  -5.413  14.858
  230   1H2*    G   9          1H2*        G   9  -5.021  -2.192   7.519
  231   2H2*    G   9          2H2*        G   9  -5.253  -3.041   9.061
  232   1H5*    G   9          1H5*        G   9  -7.194  -1.874  12.119
  233   2H5*    G   9          2H5*        G   9  -8.576  -1.903  11.029
  234    H4*    G   9           H4*        G   9  -7.267  -0.127  10.279
  235    H3*    G   9           H3*        G   9  -7.521  -2.239   8.483
  236    H1*    G   9           H1*        G   9  -4.463  -0.106   8.750
  237    H8     G   9           H8         G   9  -3.234  -3.079  10.788
  238    H1     G   9           H1         G   9   1.222   0.320   7.683
  239   1H2     G   9          1H2         G   9  -1.498   2.337   6.748
  240   2H2     G   9          2H2         G   9   0.233   2.091   6.680
  241   1H5*    T  10          1H5*        T  10  -5.037   1.709   6.430
  242   2H5*    T  10          2H5*        T  10  -6.181   1.891   5.094
  243    H4*    T  10           H4*        T  10  -3.719   2.496   4.412
  244    H3*    T  10           H3*        T  10  -5.107   0.406   2.982
  245   1H2*    T  10          1H2*        T  10  -2.754  -0.470   2.128
  246   2H2*    T  10          2H2*        T  10  -3.582  -1.178   3.569
  247    H1*    T  10           H1*        T  10  -1.451   1.020   3.656
  248    H3     T  10           H3         T  10   1.914  -1.829   4.628
  249   1H5M    T  10          1H5M        T  10  -2.351  -3.458   7.587
  250   2H5M    T  10          2H5M        T  10  -1.518  -4.682   6.617
  251   3H5M    T  10          3H5M        T  10  -0.674  -3.919   7.975
  252    H6     T  10           H6         T  10  -2.682  -1.434   5.993
  253   1H2*    G  11          1H2*        G  11   1.213   0.087  -2.310
  254   2H2*    G  11          2H2*        G  11  -0.159  -0.164  -1.250
  255   1H5*    G  11          1H5*        G  11  -1.232   2.642   1.551
  256   2H5*    G  11          2H5*        G  11  -1.753   3.368   0.031
  257    H4*    G  11           H4*        G  11   0.585   3.318   0.068
  258    H3*    G  11           H3*        G  11  -0.682   1.991  -2.053
  259    H1*    G  11           H1*        G  11   2.620   0.929  -0.525
  260    H8     G  11           H8         G  11   0.294  -1.661   1.241
  261    H1     G  11           H1         G  11   6.538  -2.918   1.382
  262   1H2     G  11          1H2         G  11   6.928   0.196  -0.174
  263   2H2     G  11          2H2         G  11   7.705  -1.201   0.546
  264   3HO*    C  12          3HO*        C  12   7.089   2.629  -5.390
  265   2H2*    C  12          2H2*        C  12   4.804  -0.603  -5.079
  266   1H2*    C  12          1H2*        C  12   6.480  -0.785  -5.479
  267   1H5*    C  12          1H5*        C  12   4.140   2.636  -2.140
  268   2H5*    C  12          2H5*        C  12   4.299   3.503  -3.669
  269    H4*    C  12           H4*        C  12   6.399   2.346  -3.145
  270    H3*    C  12           H3*        C  12   5.051   1.609  -5.584
  271    H1*    C  12           H1*        C  12   7.342  -0.488  -3.304
  272   1H4     C  12          1H4         C  12   3.562  -5.345  -0.654
  273   2H4     C  12          2H4         C  12   5.203  -5.947  -0.701
  274    H5     C  12           H5         C  12   2.908  -3.177  -1.696
  275    H6     C  12           H6         C  12   3.798  -1.275  -2.962