*HEADER    DNA                                     28-MAR-02   1LA8              
*TITLE     SOLUTION STRUCTURE OF THE DNA HAIRPIN 13-MER CGCGGTGTCCGCG            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*GP*CP*GP*GP*TP*GP*TP*CP*CP*GP*CP*G)-3';           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SYNTHETIC DNA SEQUENCE WAS DERIVED               
*SOURCE   4 FROM THE HISD3052 GENE OF SALMONELLA TYPHIMURIUM.                    
*KEYWDS    DNA, HAIRPIN, THREE BASE LOOP                                         
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.P.WEISENSEEL, G.R.REDDY, L.J.MARNETT, M.P.STONE                     
*REVDAT   1   17-APR-02 1LA8    0                                                
! Class 1 Distance Restraints

assign ( resid   1 and name H2'  )( resid   1 and name H6   )  2.33  0.30  0.30  
assign ( resid   1 and name H5   )( resid   1 and name H2'  )  4.40  0.58  0.58  
assign (( resid   1 and name H5'  ) or ( resid   1 and name H5'' )) 
                                  ( resid   1 and name H2'  )  4.29  0.62  0.62 
assign ( resid   2 and name H8   )( resid   1 and name H1'  )  4.21  0.30  0.30  
assign ( resid   2 and name H8   )( resid   1 and name H2'  )  3.34  0.30  0.80 ! ub+0.5
assign ( resid   2 and name H8   )( resid   1 and name H2'' )  2.91  0.60  0.15 ! lb-0.5
assign ( resid   2 and name H3'  )( resid   2 and name H8   )  3.77  0.30  0.30  
assign ( resid   2 and name H4'  )( resid   2 and name H8   )  4.66  0.30  0.30  
assign ( resid   2 and name H5'  )( resid   2 and name H8   )  3.67  0.30  0.30  
assign ( resid   2 and name H5'' )( resid   2 and name H8   )  4.06  0.30  0.30  
assign ( resid   2 and name H8   )( resid   2 and name H1'  )  3.88  0.30  0.30  
assign ( resid   3 and name H5   )( resid   2 and name H8   )  4.04  0.30  0.30  
assign ( resid   3 and name H2'  )( resid   3 and name H5   )  3.79  0.32  0.32  
assign ( resid   3 and name H2'' )( resid   3 and name H6   )  3.12  0.30  0.80  
assign ( resid   3 and name H6   )( resid   4 and name H8   )  4.80  0.30  0.60 ! gen  
assign ( resid   4 and name H8   )( resid   3 and name H1'  )  3.89  0.30  0.30  
assign ( resid   4 and name H8   )( resid   3 and name H2'  )  3.34  0.30  0.80  
assign ( resid   4 and name H8   )( resid   3 and name H2'' )  2.72  0.30  0.30 ! -0.2 
assign ( resid   4 and name H8   )( resid   3 and name H3'  )  4.87  0.30  0.30 ! +1 
assign ( resid   4 and name H3'  )( resid   4 and name H5'' )  2.96  0.30  0.30 
assign ( resid   4 and name H3'  )( resid   4 and name H8   )  3.79  0.30  0.30  
assign ( resid   4 and name H4'  )( resid   4 and name H1'  )  3.06  0.30  0.30  
assign ( resid   4 and name H4'  )( resid   4 and name H3'  )  2.78  0.30  0.30  
assign ( resid   4 and name H4'  )( resid   4 and name H8   )  4.80  0.45  0.40  
assign (( resid   4 and name H2'  ) or ( resid   4 and name H2'' )) 
                                  ( resid   4 and name H4'  )  3.42  0.30  0.30 
assign ( resid   4 and name H8   )( resid   4 and name H1'  )  3.68  0.30  0.30  
assign (( resid   4 and name H2'  ) or ( resid   4 and name H2'' )) 
                                  ( resid   4 and name H1'  )  2.46  0.30  0.30 
assign (( resid   4 and name H2'  ) or ( resid   4 and name H2'' )) 
                                  ( resid   4 and name H8   )  2.88  0.30  0.30 
assign ( resid   5 and name H5'  )( resid   4 and name H1'  )  3.46  0.30  1.30 ! ub+1.0 
assign ( resid   5 and name H8   )( resid   4 and name H1'  )  3.42  0.30  0.30  
assign ( resid   5 and name H3'  )( resid   5 and name H1'  )  4.08  0.86  0.86  
assign ( resid   5 and name H3'  )( resid   5 and name H8   )  4.19  0.94  0.81  
assign ( resid   5 and name H4'  )( resid   5 and name H1'  )  3.50  0.30  0.30 ! +0.5 
assign ( resid   5 and name H4'  )( resid   5 and name H8   )  4.21  0.52  0.53  
assign ( resid   5 and name H4'  )( resid   6 and name H6   )  4.28  0.79  0.59 ! lb-0.2 
assign ( resid   5 and name H4'  )( resid   6 and name H5#  )  3.70  0.30  0.30  
assign ( resid   6 and name H6   )( resid   5 and name H3'  )  5.43  0.87 -0.23  
assign ( resid   6 and name H5#  )( resid   5 and name H8   )  4.87  0.50  0.83  
assign ( resid   6 and name H1'  )( resid   6 and name H4'  )  3.29  0.30  0.30  
assign ( resid   6 and name H2'  )( resid   6 and name H1'  )  3.35  0.64  0.64  
assign ( resid   6 and name H2'  )( resid   6 and name H4'  )  4.27  0.56  0.56  
assign ( resid   6 and name H2'  )( resid   6 and name H6   )  2.30  0.30  0.30  
assign ( resid   6 and name H3'  )( resid   6 and name H6   )  3.95  0.46  0.46  
assign ( resid   6 and name H6   )( resid   6 and name H1'  )  3.55  0.30  0.30 ! +0.5 
assign ( resid   6 and name H6   )( resid   6 and name H4'  )  4.20  0.30  0.30  
assign ( resid   6 and name H5#  )( resid   6 and name H6   )  2.72  0.30  0.30  
assign ( resid   6 and name H5'  )( resid   7 and name H8   )  4.56  0.58  0.58  
assign ( resid   6 and name H5'' )( resid   7 and name H8   )  3.93  0.62  0.92 ! ub+0.3 
assign ( resid   7 and name H8   )( resid   5 and name H1'  )  3.70  0.76  0.76  
assign ( resid   7 and name H8   )( resid   6 and name H2'  )  3.11  0.30  0.87  
assign ( resid   7 and name H8   )( resid   6 and name H4'  )  3.89  0.43  0.93 ! ub+0.5 
assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
                                  ( resid   6 and name H1'  )  4.06  0.55  0.56 
assign ( resid   7 and name H4'  )( resid   7 and name H8   )  5.06  1.15  0.14  
assign ( resid   7 and name H8   )( resid   7 and name H1'  )  3.63  0.90  0.90 ! +1 
assign ( resid   7 and name H4'  )( resid   8 and name H6   )  4.45  0.90  0.91  
! assign ( resid   7 and name H4'  )( resid   8 and name H5#  )  4.93  0.30  0.30  
! assign ( resid   8 and name H6   )( resid   7 and name H8   )  4.50  0.50  0.50  
assign ( resid   8 and name H5#  )( resid   7 and name H2'  )  4.67  0.38  0.38  
assign ( resid   8 and name H5#  )( resid   7 and name H2'' )  4.02  0.38  0.68 ! ub+0.3 
assign ( resid   8 and name H5'  )( resid   7 and name H2'' )  3.61  0.91  0.91  
assign ( resid   8 and name H5'  )( resid   7 and name H1'  )  3.57  0.40  0.40 ! +0.5 
assign ( resid   8 and name H4'  )( resid   7 and name H1'  )  3.83  0.52  1.01 ! +0.5 
assign ( resid   8 and name H6   )( resid   7 and name H1'  )  3.92  1.07  1.08  
assign ( resid   8 and name H5#  )( resid   7 and name H1'  )  4.68  1.66  0.52  
assign ( resid   8 and name H5#  )( resid   7 and name H8   )  4.01  0.65  1.16  
! assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
!                                   ( resid   8 and name H5#  )  4.47  2.19  2.19 
assign ( resid   8 and name H2'  )( resid   8 and name H1'  )  2.76  0.17  0.18  
assign ( resid   8 and name H2'  )( resid   8 and name H6   )  2.00  0.24  0.23  
assign ( resid   8 and name H2'' )( resid   8 and name H1'  )  2.31  0.15  0.15  
assign ( resid   8 and name H2'' )( resid   8 and name H6   )  2.87  0.80  1.20 ! ub+0.2 
assign ( resid   8 and name H4'  )( resid   8 and name H1'  )  3.37  0.30  0.30  
assign ( resid   8 and name H4'  )( resid   8 and name H6   )  4.17  0.32  0.32 ! +1.0 
assign ( resid   8 and name H6   )( resid   8 and name H1'  )  3.23  0.30  0.80 ! ub+0.5 
assign ( resid   8 and name H6   )( resid   8 and name H5'  )  3.20  0.47  0.47  
assign ( resid   8 and name H6   )( resid   8 and name H5'' )  4.17  1.36  1.37  
assign ( resid   8 and name H5#  )( resid   8 and name H6   )  2.45  0.50  0.50  
assign ( resid   8 and name H4'  )( resid   9 and name H1'  )  3.96  0.67  0.67 ! +0.5 
assign ( resid   8 and name H4'  )( resid   9 and name H5   )  4.13  0.60  0.60  
! assign ( resid   9 and name H5'' )( resid   9 and name H2'  )  4.50  0.50  0.50 !  
assign ( resid   9 and name H2'  )( resid   9 and name H1'  )  2.85  0.30  0.30  
assign ( resid   9 and name H2'  )( resid   9 and name H5   )  4.20  0.30  0.30 ! +1
assign ( resid   9 and name H2'  )( resid   9 and name H6   )  2.44  0.30  0.30  
assign ( resid   9 and name H2'' )( resid   9 and name H1'  )  2.31  0.30  0.30  
assign ( resid   9 and name H4'  )( resid   9 and name H1'  )  3.08  0.30  0.80 ! ub+0.5 
assign ( resid   9 and name H4'  )( resid   9 and name H2'' )  3.79  0.30  0.30 ! +0.5 
assign ( resid   9 and name H4'  )( resid   9 and name H6   )  4.33  0.47  0.46  
assign ( resid   9 and name H6   )( resid   9 and name H5'' )  2.72  0.44  0.44  
assign ( resid  10 and name H6   )( resid   9 and name H1'  )  3.37  0.30  0.30  
assign ( resid  10 and name H6   )( resid   9 and name H2'  )  3.38  0.35  0.65  
assign ( resid  10 and name H6   )( resid   9 and name H2'' )  2.70  0.30  0.30  
assign (( resid  10 and name H5'  ) or ( resid  10 and name H5'' )) 
                                  ( resid   9 and name H1'  )  4.38  0.30  0.30 
assign ( resid  10 and name H1'  )( resid  10 and name H4'  )  2.81  0.30  0.30  
assign ( resid  10 and name H2'  )( resid  10 and name H1'  )  2.95  0.30  0.30  
assign ( resid  10 and name H2'  )( resid  10 and name H6   )  2.34  0.30  0.30  
assign ( resid  10 and name H2'' )( resid  10 and name H1'  )  2.33  0.30  0.30  
assign ( resid  10 and name H2'' )( resid  10 and name H6   )  3.18  0.44  0.64  
assign ( resid  10 and name H3'  )( resid  10 and name H1'  )  3.94  0.30  0.30  
assign ( resid  10 and name H3'  )( resid  10 and name H2'  )  2.31  0.30  0.30  
assign ( resid  10 and name H3'  )( resid  10 and name H2'' )  2.67  0.30  0.30  
assign ( resid  10 and name H3'  )( resid  10 and name H6   )  3.51  0.30  0.30  
assign ( resid  10 and name H6   )( resid  10 and name H1'  )  3.47  0.30  0.30  
assign (( resid  10 and name H5'  ) or ( resid  10 and name H5'' )) 
                                  ( resid  10 and name H6   )  3.96  0.30  1.00 
assign ( resid  10 and name H6   )( resid  11 and name H8   )  4.80  0.30  0.70 ! gen  
assign ( resid  11 and name H8   )( resid  10 and name H1'  )  3.62  0.30  0.30  
assign ( resid  11 and name H8   )( resid  10 and name H2'  )  3.25  0.30  0.80  
assign ( resid  11 and name H3'  )( resid  11 and name H8   )  3.67  0.30  0.80 ! ub+0.5 
assign ( resid  11 and name H4'  )( resid  11 and name H8   )  4.56  0.30  0.30  
assign ( resid  11 and name H8   )( resid  11 and name H1'  )  3.71  0.57  0.57 ! -0.5 
assign ( resid  12 and name H5   )( resid  11 and name H8   )  3.60  0.30  0.30  
assign ( resid  12 and name H2'  )( resid  12 and name H5   )  3.71  0.30  0.30  
assign ( resid  12 and name H2'' )( resid  12 and name H6   )  3.25  0.30  0.50  
assign ( resid  13 and name H8   )( resid  12 and name H1'  )  4.63  1.07  0.57 ! lb-0.5 
assign ( resid  13 and name H8   )( resid  12 and name H2'  )  4.42  0.99  0.79 ! lb-0.2 
assign ( resid  13 and name H3'  )( resid  13 and name H8   )  4.84  0.37  0.37  
assign ( resid  13 and name H4'  )( resid  13 and name H1'  )  3.18  0.30  0.30  
assign ( resid  13 and name H4'  )( resid  13 and name H2'  )  4.04  0.45  0.45  
assign ( resid  13 and name H8   )( resid  13 and name H1'  )  4.29  0.67  0.67  
! negative restraints
assign ( resid   7 and name H1'  )( resid   8 and name H1'  )  4.80  0.00  5.00  
assign ( resid   8 and name O1P  )( resid   9 and name 02   )  3.20  0.00  5.00  
assign ( resid   8 and name H1'  )( resid   9 and name H6   )  5.20  0.00  5.00  
assign ( resid   8 and name H2'  )( resid   9 and name H6   )  5.20  0.00  5.00  
assign ( resid   8 and name H3'  )( resid   9 and name H6   )  5.20  0.00  5.00  
assign ( resid   8 and name H1'  )( resid   9 and name H5   )  5.20  0.00  5.00  
assign ( resid   8 and name H2'  )( resid   9 and name H5   )  5.20  0.00  5.00  
assign ( resid   8 and name H2'' )( resid   9 and name H5   )  5.20  0.00  5.00  
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   6 and name  H5# )  5.20  0.00 10.00 
assign ( resid   5 and name H1'  )( resid   6 and name H4'  )  5.20  0.00 10.00  
assign ( resid   5 and name  H1' )( resid   7 and name H5'  )  5.00  0.00 10.00  
assign ( resid   5 and name  H1' )( resid   7 and name H3'  )  5.00  0.00 10.00  
assign ( resid   5 and name  H1' )( resid   7 and name H2'  )  5.00  0.00 10.00  
assign ( resid   5 and name  H8  )( resid   7 and name H3'  )  5.00  0.00 10.00  
assign ( resid   3 and name H5   )( resid   4 and name H8   )  5.80  0.00 10.00  
assign ( resid  10 and name H5   )( resid  11 and name H8   )  5.80  0.00 10.00  


! Class 2 Distance Restraints

assign ( resid   1 and name H2'  )( resid   1 and name H1'  )  3.55  0.53  0.54  
assign ( resid   2 and name H3'  )( resid   2 and name H1'  )  3.54  0.30  0.30  
assign ( resid   2 and name H4'  )( resid   2 and name H1'  )  2.93  0.30  1.30 ! ub+1.0 
assign ( resid   3 and name H5   )( resid   2 and name H2'  )  3.07  0.30  0.30  
assign ( resid   3 and name H5   )( resid   2 and name H2'' )  2.89  0.30  0.30  
assign ( resid   3 and name H5'  )( resid   2 and name H1'  )  2.84  0.30  0.30  
assign ( resid   3 and name H5'' )( resid   2 and name H2'' )  4.87  1.19  0.33  
assign ( resid   3 and name H6   )( resid   2 and name H1'  )  3.05  0.30  0.80  
assign ( resid   3 and name H6   )( resid   2 and name H3'  )  4.21  0.30  0.80  
assign ( resid   3 and name H2'  )( resid   3 and name H5'' )  4.83  1.09  0.37  
assign ( resid   3 and name H2'  )( resid   3 and name H6   )  2.36  0.30  0.30  
assign ( resid   3 and name H2'' )( resid   3 and name H1'  )  2.25  0.30  0.30  
assign ( resid   3 and name H3'  )( resid   3 and name H1'  )  3.60  0.30  0.30  
assign ( resid   3 and name H3'  )( resid   3 and name H2'  )  2.29  0.30  0.30  
assign ( resid   3 and name H3'  )( resid   3 and name H2'' )  2.65  0.30  0.30  
assign ( resid   3 and name H4'  )( resid   3 and name H1'  )  3.10  0.30  0.30 ! +0.5 
assign ( resid   3 and name H4'  )( resid   3 and name H2'  )  3.67  0.30  0.30 ! +0.5 
assign ( resid   3 and name H4'  )( resid   3 and name H2'' )  3.72  0.30  0.30 ! +0.5 
assign ( resid   3 and name H6   )( resid   3 and name H1'  )  3.31  0.30  0.30  
assign ( resid   3 and name H6   )( resid   3 and name H5'' )  4.15  0.30  0.60 ! ub+0.3 
! assign ( resid   4 and name H5'' )( resid   3 and name H2'' )  2.84  0.14  0.14  
assign ( resid   4 and name H3'  )( resid   4 and name H1'  )  3.95  0.41  0.41  
assign ( resid   4 and name H3'  )( resid   4 and name H5'  )  3.42  0.30  0.30 ! +1
assign (( resid   4 and name H2'  ) or ( resid   4 and name H2'' )) 
                                  ( resid   4 and name H3'  )  2.21  0.30  0.30 
assign ( resid   4 and name H8   )( resid   4 and name H5'  )  3.82  0.30  0.30 !  
assign ( resid   4 and name H8   )( resid   4 and name H5'' )  4.63  0.30  0.30 ! +0.5 
assign ( resid   5 and name H8   )( resid   4 and name H3'  )  4.47  0.74  0.73  
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   5 and name H3'  )  2.02  0.30  0.30 
assign ( resid   5 and name H5'' )( resid   5 and name H8   )  5.01  1.10  0.19  
!assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
!                                  ( resid   6 and name H4'  )  4.87  0.65  0.65 
assign ( resid   6 and name H6   )( resid   5 and name H1'  )  3.87  0.58  0.58  
assign ( resid   6 and name H2'' )( resid   6 and name H4'  )  3.61  0.30  0.30  
assign ( resid   6 and name H3'  )( resid   6 and name H1'  )  3.89  0.58  0.31 ! -1 
assign ( resid   6 and name H3'  )( resid   6 and name H2'  )  2.10  0.30  0.30  
assign ( resid   6 and name H3'  )( resid   6 and name H4'  )  3.20  0.43  0.43  
assign ( resid   6 and name H5'  )( resid   6 and name H6   )  3.42  0.60  0.60  
assign ( resid   7 and name H8   )( resid   6 and name H1'  )  4.94  1.03  0.26  
assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
                                  ( resid   7 and name H2'  )  3.50  0.48  0.48 ! +1
assign ( resid   7 and name H3'  )( resid   7 and name H1'  )  3.15  1.30  1.29  
assign ( resid   7 and name H4'  )( resid   7 and name H1'  )  2.84  0.50  1.00 ! ub+0.5 
assign ( resid   7 and name H4'  )( resid   7 and name H2'  )  3.06  0.63  0.63  
assign ( resid   7 and name H4'  )( resid   7 and name H2'' )  3.48  0.54  0.54 ! +1 
assign ( resid   7 and name H4'  )( resid   7 and name H3'  )  2.51  0.55  0.56  
assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
                                  ( resid   7 and name H8   )  3.95  1.20  1.20 
assign ( resid   8 and name H6   )( resid   7 and name H2'  )  3.34  0.69  0.99  
assign ( resid   8 and name H6   )( resid   7 and name H2'' )  2.78  0.50  0.50  
assign ( resid   8 and name H6   )( resid   7 and name H3'  )  3.69  1.10  1.10  
assign ( resid   8 and name H5#  )( resid   7 and name H3'  )  4.45  1.96  0.95  
! assign ( resid   8 and name H3'  )( resid   8 and name H6   )  7.72  0.98  0.98  
assign ( resid   8 and name H4'  )( resid   9 and name H6   )  3.37  0.30  0.30  
! assign ( resid   9 and name H2'' )( resid   9 and name H5   )  4.79  0.79  0.91 ! ub+0.5 
assign ( resid   9 and name H6   )( resid   9 and name H1'  )  3.41  0.30  0.50  
assign ( resid  10 and name H4'  )( resid   9 and name H1'  )  4.16  0.30  0.80 ! +1 
assign (( resid  10 and name H5'  ) or ( resid  10 and name H5'' )) 
                                  ( resid  10 and name H1'  )  4.05  0.30  0.80 ! ub+0.5
assign ( resid  10 and name H2'  )( resid  10 and name H4'  )  3.87  0.30  0.30 ! +1 
assign ( resid  10 and name H6   )( resid  10 and name H4'  )  4.53  0.30  0.30 ! +1
assign ( resid  11 and name H5'  )( resid  10 and name H1'  )  4.39  0.30  0.30 ! +1 
assign ( resid  11 and name H8   )( resid  10 and name H2'' )  2.79  0.30  0.30  
assign ( resid  11 and name H2'' )( resid  11 and name H8   )  3.21  0.30  0.80 ! ub+0.5 
assign ( resid  11 and name H3'  )( resid  11 and name H1'  )  3.57  0.30  0.30  
assign ( resid  11 and name H4'  )( resid  11 and name H1'  )  3.05  0.30  0.30  
assign ( resid  12 and name H5   )( resid  11 and name H2'  )  3.08  0.30  0.30  
assign ( resid  12 and name H5   )( resid  11 and name H2'' )  2.92  0.30  0.30  
assign ( resid  12 and name H5'  )( resid  11 and name H1'  )  3.50  0.30  0.30  
assign ( resid  12 and name H5'  )( resid  11 and name H2'' )  3.75  0.33  0.33  
assign ( resid  12 and name H5'' )( resid  11 and name H2'' )  3.58  0.33  0.82 ! ub+0.5 
assign ( resid  12 and name H6   )( resid  11 and name H1'  )  3.27  0.30  0.30  
assign ( resid  12 and name H6   )( resid  11 and name H2'  )  3.35  0.30  0.80 ! +0.5 
assign ( resid  12 and name H6   )( resid  11 and name H2'' )  2.74  0.30  0.30  
assign ( resid  12 and name H6   )( resid  11 and name H3'  )  4.98  0.51  0.30  
assign ( resid  12 and name H2'  )( resid  12 and name H1'  )  3.02  0.30  0.30  
assign ( resid  12 and name H2'  )( resid  12 and name H6   )  2.32  0.30  0.30  
assign ( resid  12 and name H2'' )( resid  12 and name H1'  )  2.24  0.30  0.30  
assign ( resid  12 and name H3'  )( resid  12 and name H1'  )  3.84  0.30  0.30  
assign ( resid  12 and name H3'  )( resid  12 and name H2'  )  2.32  0.30  0.30  
assign ( resid  12 and name H3'  )( resid  12 and name H2'' )  2.64  0.30  0.30  
assign ( resid  12 and name H4'  )( resid  12 and name H1'  )  2.67  0.30  1.30 ! ub+1.0 
assign ( resid  12 and name H6   )( resid  12 and name H1'  )  3.44  0.30  0.30  
assign ( resid  12 and name H6   )( resid  12 and name H5'  )  3.73  0.30  0.30  
assign ( resid  13 and name H2'' )( resid  13 and name H1'  )  2.27  0.30  0.30  
assign ( resid  13 and name H4'  )( resid  13 and name H8   )  4.20  0.30  0.80 ! ub+0.5 


! Class 3 Distance Restraints

assign ( resid   1 and name H4'  )( resid   1 and name H1'  )  2.82  0.30  1.30 ! ub+1.0 
assign ( resid   1 and name H6   )( resid   1 and name H1'  )  2.92  0.30  0.85 ! ub+0.5 
assign ( resid   2 and name H2'  )( resid   2 and name H1'  )  2.59  0.30  0.30  
assign ( resid   2 and name H2'  )( resid   2 and name H8   )  2.37  0.30  0.30  
assign ( resid   2 and name H2'' )( resid   2 and name H1'  )  2.26  0.30  0.30  
assign ( resid   2 and name H2'' )( resid   2 and name H8   )  3.55  0.30  0.30 ! +1 
assign ( resid   2 and name H4'  )( resid   2 and name H2'  )  3.74  0.30  0.30 ! +0.5 
assign ( resid   2 and name H4'  )( resid   2 and name H2'' )  3.70  0.30  0.30  
assign ( resid   2 and name H5'' )( resid   2 and name H3'  )  3.25  0.80  0.30 ! lb-0.5 
assign ( resid   3 and name H5'' )( resid   2 and name H1'  )  4.38  0.30  0.80 ! +1
assign ( resid   3 and name H6   )( resid   2 and name H2'  )  3.45  0.30  0.80 ! +0.5 
assign ( resid   3 and name H6   )( resid   2 and name H2'' )  2.78  0.30  0.30  
assign ( resid   3 and name H2'  )( resid   3 and name H1'  )  2.83  0.30  0.30  
assign ( resid   3 and name H3'  )( resid   3 and name H6   )  3.23  0.30  0.30  
assign ( resid   3 and name H4'  )( resid   3 and name H6   )  3.62  0.30  1.30 ! ub+1.0 
! assign ( resid   4 and name H5'  )( resid   3 and name H1'  )  3.96  0.19  0.19 ! +1 
assign ( resid   4 and name H5'' )( resid   3 and name H1'  )  3.23  0.30  1.30 ! ub+1.0 
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   5 and name H4'  )  3.35  0.40  0.40 
assign ( resid   5 and name H5'' )( resid   5 and name H3'  )  3.09  0.36  0.36  
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   5 and name H1'  )  2.02  0.32  0.31 
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   5 and name H8   )  3.00  0.30  0.40 
assign (( resid   5 and name H2'  ) or ( resid   5 and name H2'' )) 
                                  ( resid   6 and name H6   )  3.52  0.34  0.34 
assign ( resid   6 and name H2'' )( resid   6 and name H1'  )  2.18  0.30  0.30  
assign ( resid   6 and name H2'' )( resid   6 and name H6   )  3.33  0.75  0.75  
assign ( resid   6 and name H5'  )( resid   6 and name H3'  )  3.44  0.88  0.88  
assign ( resid   6 and name H5'' )( resid   6 and name H3'  )  3.09  0.40  0.41 ! +1 
assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
                                  ( resid   6 and name H2'  )  4.27  1.21  1.21 
assign ( resid   7 and name H2'  )( resid   7 and name H8   )  1.94  0.42  0.92 ! ub+0.5 
assign ( resid   7 and name H2'' )( resid   7 and name H1'  )  1.97  0.41  0.41  
assign ( resid   7 and name H2'' )( resid   7 and name H8   )  3.02  0.45  0.56 ! ub+0.5 
assign ( resid   7 and name H3'  )( resid   7 and name H2'' )  2.04  0.44  0.75 ! ub+0.3 
assign (( resid   7 and name H5'  ) or ( resid   7 and name H5'' )) 
                                  ( resid   7 and name H3'  )  2.60  0.52  0.52 
assign ( resid   8 and name H4'  )( resid   8 and name H2'  )  3.70  0.30  0.30 ! +0.8 
assign ( resid   8 and name H4'  )( resid   8 and name H2'' )  3.26  0.45  0.95 ! ub+0.5 
assign ( resid   9 and name H2'' )( resid   9 and name H6   )  3.44  0.35  0.55 ! +1 
assign ( resid   9 and name H5'  )( resid   9 and name H6   )  3.11  0.57  1.07  
assign ( resid  10 and name H5   )( resid   9 and name H2'  )  3.24  0.30  0.30  
assign ( resid  10 and name H5   )( resid   9 and name H2'' )  3.10  0.30  0.30  
assign ( resid  10 and name H5   )( resid   9 and name H6   )  3.34  0.30  0.60 ! ub+0.3 
assign ( resid  10 and name H2'  )( resid  10 and name H5   )  3.41  0.33  0.82 ! ub+0.5 
assign ( resid  10 and name H2'' )( resid  10 and name H4'  )  3.99  0.30  0.30 ! +1 
assign ( resid  11 and name H8   )( resid  10 and name H3'  )  4.75  0.30  0.30 ! +1 
assign ( resid  11 and name H1'  )( resid  11 and name H5'  )  4.42  0.30  0.30 ! +1
assign ( resid  11 and name H2'  )( resid  11 and name H1'  )  2.86  0.30  0.30 ! +0.4 
assign ( resid  11 and name H2'  )( resid  11 and name H8   )  2.32  0.30  0.30  
assign ( resid  11 and name H2'' )( resid  11 and name H1'  )  2.25  0.30  0.30  
assign ( resid  11 and name H4'  )( resid  11 and name H2'  )  3.48  0.30  0.30  
assign ( resid  11 and name H4'  )( resid  11 and name H2'' )  3.61  0.30  0.30  
assign ( resid  11 and name H5'' )( resid  11 and name H3'  )  2.66  0.30  0.30  
assign ( resid  11 and name H5'' )( resid  11 and name H8   )  4.46  0.30  0.30 ! +0.6  
assign ( resid  11 and name H8   )( resid  11 and name H5'  )  3.95  0.30  0.30 ! +0.6 
assign ( resid  12 and name H5'' )( resid  11 and name H1'  )  3.78  0.34  1.00 ! ub+0.5 
assign ( resid  12 and name H3'  )( resid  12 and name H6   )  3.24  0.30  0.80 ! ub+0.5 
assign ( resid  12 and name H4'  )( resid  12 and name H2'  )  3.68  0.30  0.22 ! +0.5 
assign ( resid  12 and name H4'  )( resid  12 and name H2'' )  3.80  0.30  0.19 ! +0.8 
assign ( resid  12 and name H4'  )( resid  12 and name H6   )  4.63  0.30  0.19 ! +1 
assign ( resid  12 and name H6   )( resid  12 and name H5'' )  4.41  0.30  0.30 ! +1 
assign ( resid  13 and name H8   )( resid  12 and name H3'  )  3.85  0.30  1.30 ! ub+1.0 
assign ( resid  13 and name H2'  )( resid  13 and name H1'  )  3.33  0.44  0.44  
assign ( resid  13 and name H2'  )( resid  13 and name H8   )  2.31  0.30  0.30  
assign ( resid  13 and name H3'  )( resid  13 and name H2'  )  2.70  0.30  0.30  
! assign ( resid  13 and name H3'  )( resid  13 and name H2'' )  0.00  0.00  0.00  
assign ( resid  13 and name H4'  )( resid  13 and name H2'' )  3.84  0.30  0.30 ! +0.8 
assign ( resid  13 and name H4'  )( resid  13 and name H3'  )  2.41  0.39  0.38 ! -1 
assign (( resid  13 and name H5'  ) or ( resid  13 and name H5'' )) 
                                  ( resid  13 and name H3'  )  3.31  0.50  0.30 ! lb-0.2


! Class 4 Distance Restraints

assign ( resid   1 and name H2'' )( resid   1 and name H1'  )  2.44  0.30  0.30  
assign ( resid   1 and name H2'' )( resid   1 and name H6   )  3.67  0.30  0.30 ! +1  
assign ( resid   1 and name H4'  )( resid   1 and name H6   )  3.29  0.30  1.30 ! ub+1.0 
assign (( resid   1 and name H5'  ) or ( resid   1 and name H5'' )) 
                                  ( resid   1 and name H6   )  3.75  0.30  0.30 
assign ( resid   3 and name H6   )( resid   3 and name H5'  )  4.00  0.61  0.61  
assign (( resid   4 and name H2'  ) or ( resid   4 and name H2'' )) 
                                  ( resid   5 and name H8   )  3.70  0.30  0.30 
assign ( resid   5 and name H8   )( resid   5 and name H1'  )  3.83  1.06  1.06  
assign ( resid   5 and name H8   )( resid   5 and name H5'  )  3.05  0.30  0.30  
assign ( resid   6 and name H3'  )( resid   6 and name H2'' )  2.74  0.37  0.36 ! +0.5 
assign ( resid   6 and name H5'' )( resid   6 and name H6   )  4.61  0.74  0.74 ! +1 
assign ( resid   7 and name H2'  )( resid   7 and name H1'  )  2.61  0.75  0.75  
assign ( resid   7 and name H3'  )( resid   7 and name H2'  )  2.02  0.43  0.42  
assign ( resid   9 and name H3'  )( resid   9 and name H5'' )  2.49  0.82  0.82  
assign ( resid   9 and name H4'  )( resid   9 and name H3'  )  2.42  0.93  0.78 ! -2 


! Base Pairing Distance Restraints

assign (resid  1 and name n4) (resid 13 and name o6) 2.91 0.05 0.05 
assign (resid  1 and name n3) (resid 13 and name n1) 2.95 0.05 0.05
assign (resid  1 and name o2) (resid 13 and name n2) 2.86 0.05 0.05
assign (resid  1 and name n3) (resid 13 and name n2) 3.65 0.05 0.05 
assign (resid  1 and name o2) (resid 13 and name o6) 5.42 0.05 0.05
assign (resid  2 and name o6) (resid 12 and name n4) 2.91 0.05 0.05 
assign (resid  2 and name n1) (resid 12 and name n3) 2.95 0.05 0.05
assign (resid  2 and name n2) (resid 12 and name o2) 2.86 0.05 0.05
assign (resid  2 and name n2) (resid 12 and name n3) 3.65 0.05 0.05 
assign (resid  2 and name o6) (resid 12 and name o2) 5.42 0.05 0.05
assign (resid  3 and name n4) (resid 11 and name o6) 2.91 0.05 0.05 
assign (resid  3 and name n3) (resid 11 and name n1) 2.95 0.05 0.05
assign (resid  3 and name o2) (resid 11 and name n2) 2.86 0.05 0.05
assign (resid  3 and name n3) (resid 11 and name n2) 3.65 0.05 0.05 
assign (resid  3 and name o2) (resid 11 and name o6) 5.42 0.05 0.05
assign (resid  4 and name o6) (resid 10 and name n4) 2.91 0.05 0.05 
assign (resid  4 and name n1) (resid 10 and name n3) 2.95 0.05 0.05
assign (resid  4 and name n2) (resid 10 and name o2) 2.86 0.05 0.05
assign (resid  4 and name n2) (resid 10 and name n3) 3.65 0.05 0.05 
assign (resid  4 and name o6) (resid 10 and name o2) 5.42 0.05 0.05
assign (resid  5 and name o6) (resid  9 and name n4) 2.91 0.10 0.10 
assign (resid  5 and name n1) (resid  9 and name n3) 2.95 0.10 0.10
assign (resid  5 and name n2) (resid  9 and name o2) 2.86 0.10 0.10
assign (resid  5 and name n2) (resid  9 and name n3) 3.65 0.10 0.10 
assign (resid  5 and name o6) (resid  9 and name o2) 5.42 0.10 0.10


! Backbone Dihedral Angle Restraints

set message=off echo=off end
! backbone epsilon angles
assign  (resid  1 and name  C4') (resid  1 and name  C3')
        (resid  1 and name  O3') (resid  2 and name   P ) 40.0 -155.0 5.0 2
assign  (resid  2 and name  C4') (resid  2 and name  C3')
        (resid  2 and name  O3') (resid  3 and name   P ) 40.0 -165.0 5.0 2
assign  (resid  3 and name  C4') (resid  3 and name  C3')
        (resid  3 and name  O3') (resid  4 and name   P ) 40.0 -158.5 5.0 2
assign  (resid  4 and name  C4') (resid  4 and name  C3')
        (resid  4 and name  O3') (resid  5 and name   P ) 40.0 -158.5 5.0 2
assign  (resid  5 and name  C4') (resid  5 and name  C3')
        (resid  5 and name  O3') (resid  6 and name   P ) 40.0 -156.5 5.0 2
assign  (resid  6 and name  C4') (resid  6 and name  C3')
        (resid  6 and name  O3') (resid  7 and name   P ) 40.0 -154.0 5.0 2
assign  (resid  7 and name  C4') (resid  7 and name  C3')
        (resid  7 and name  O3') (resid  8 and name   P ) 40.0 -156.0 5.0 2
assign  (resid  8 and name  C4') (resid  8 and name  C3')
        (resid  8 and name  O3') (resid  9 and name   P ) 40.0 -150.0 5.0 2
assign  (resid  9 and name  C4') (resid  9 and name  C3')
        (resid  9 and name  O3') (resid 10 and name   P ) 40.0 -161.0 5.0 2
assign  (resid 10 and name  C4') (resid 10 and name  C3')
        (resid 10 and name  O3') (resid 11 and name   P ) 40.0 -159.0 5.0 2
assign  (resid 11 and name  C4') (resid 11 and name  C3')
        (resid 11 and name  O3') (resid 12 and name   P ) 40.0 -164.5 5.0 2
assign  (resid 12 and name  C4') (resid 12 and name  C3')
        (resid 12 and name  O3') (resid 13 and name   P ) 40.0 -161.0 5.0 2
! backbone zeta angles
assign  (resid  1 and name  C3') (resid  1 and name  O3')
        (resid  2 and name   P ) (resid  2 and name  O5') 40.0 -126.0 5.0 2
assign  (resid  2 and name  C3') (resid  2 and name  O3')
        (resid  3 and name   P ) (resid  3 and name  O5') 40.0 -114.0 5.0 2
assign  (resid  3 and name  C3') (resid  3 and name  O3')
        (resid  4 and name   P ) (resid  4 and name  O5') 40.0 -122.0 5.0 2
assign  (resid  4 and name  C3') (resid  4 and name  O3')
        (resid  5 and name   P ) (resid  5 and name  O5') 40.0 -122.0 10.0 2
! assign  (resid  5 and name  C3') (resid  5 and name  O3')
!         (resid  6 and name   P ) (resid  6 and name  O5') 40.0 -124.0 10.0 2
assign  (resid  9 and name  C3') (resid  9 and name  O3')
        (resid 10 and name   P ) (resid 10 and name  O5') 40.0 -118.0 10.0 2
assign  (resid 10 and name  C3') (resid 10 and name  O3')
        (resid 11 and name   P ) (resid 11 and name  O5') 40.0 -121.0 5.0 2
assign  (resid 11 and name  C3') (resid 11 and name  O3')
        (resid 12 and name   P ) (resid 12 and name  O5') 40.0 -115.0 5.0 2
assign  (resid 12 and name  C3') (resid 12 and name  O3')
        (resid 13 and name   P ) (resid 13 and name  O5') 40.0 -119.0 5.0 2
! backbone alpha angle
! assign  (resid  5 and name  O3') (resid  6 and name   P )
!         (resid  6 and name  O5') (resid  6 and name  C5') 40.0  -95.0 5.0 2
! backbone gamma angles
assign  (resid  1 and name  O5') (resid  1 and name  C5')
        (resid  1 and name  C4') (resid  1 and name  C3') 40.0   60.0 40.0 2
assign  (resid  2 and name  O5') (resid  2 and name  C5')
        (resid  2 and name  C4') (resid  2 and name  C3') 40.0   60.0 60.0 2
assign  (resid  3 and name  O5') (resid  3 and name  C5')
        (resid  3 and name  C4') (resid  3 and name  C3') 40.0   60.0 40.0 2
assign  (resid  4 and name  O5') (resid  4 and name  C5')
        (resid  4 and name  C4') (resid  4 and name  C3') 40.0   60.0 40.0 2
assign  (resid  5 and name  O5') (resid  5 and name  C5')
        (resid  5 and name  C4') (resid  5 and name  C3') 40.0   60.0 40.0 2
assign  (resid  6 and name  O5') (resid  6 and name  C5')
        (resid  6 and name  C4') (resid  6 and name  C3') 40.0   60.0 40.0 2
assign  (resid  7 and name  O5') (resid  7 and name  C5')
        (resid  7 and name  C4') (resid  7 and name  C3') 40.0   60.0 40.0 2
assign  (resid  8 and name  O5') (resid  8 and name  C5')
        (resid  8 and name  C4') (resid  8 and name  C3') 40.0   60.0 40.0 2
assign  (resid  9 and name  O5') (resid  9 and name  C5')
        (resid  9 and name  C4') (resid  9 and name  C3') 40.0 -120.0 90.0 2
assign  (resid 10 and name  O5') (resid 10 and name  C5')
        (resid 10 and name  C4') (resid 10 and name  C3') 40.0   60.0 40.0 2
assign  (resid 11 and name  O5') (resid 11 and name  C5')
        (resid 11 and name  C4') (resid 11 and name  C3') 40.0   60.0 40.0 2
assign  (resid 12 and name  O5') (resid 12 and name  C5')
        (resid 12 and name  C4') (resid 12 and name  C3') 40.0   60.0 40.0 2
assign  (resid 13 and name  O5') (resid 13 and name  C5')
        (resid 13 and name  C4') (resid 13 and name  C3') 40.0   60.0 40.0 2

set message=on echo=on end


! Sugar Dihedral Angle Restraints

set message=off echo=off end
assign (resid  1 and name C4') (resid  1 and name O4') 
        (resid  1 and name C1') (resid  1 and name C2')  10.0  -15.0  17.5  2 
 assign (resid  1 and name O4') (resid  1 and name C1') 
        (resid  1 and name C2') (resid  1 and name C3')  10.0   30.5   9.5  2 
 assign (resid  1 and name C1') (resid  1 and name C2') 
        (resid  1 and name C3') (resid  1 and name C4')  10.0  -35.0   2.5  2 
 assign (resid  1 and name C2') (resid  1 and name C3') 
        (resid  1 and name C4') (resid  1 and name O4')  10.0   25.5  13.5  2 
 assign (resid  1 and name C3') (resid  1 and name C4') 
        (resid  1 and name O4') (resid  1 and name C1')  10.0   -7.0  19.0  2 
 assign (resid  2 and name C4') (resid  2 and name O4') 
        (resid  2 and name C1') (resid  2 and name C2')  10.0  -19.0  13.0  2 
 assign (resid  2 and name O4') (resid  2 and name C1') 
        (resid  2 and name C2') (resid  2 and name C3')  10.0   34.0   6.0  2 
 assign (resid  2 and name C1') (resid  2 and name C2') 
        (resid  2 and name C3') (resid  2 and name C4')  10.0  -37.0   3.5  2 
 assign (resid  2 and name C2') (resid  2 and name C3') 
        (resid  2 and name C4') (resid  2 and name O4')  10.0   24.5  11.5  2 
 assign (resid  2 and name C3') (resid  2 and name C4') 
        (resid  2 and name O4') (resid  2 and name C1')  10.0   -3.0  15.0  2 
 assign (resid  3 and name C4') (resid  3 and name O4') 
        (resid  3 and name C1') (resid  3 and name C2')  10.0  -19.0  17.5  2 
 assign (resid  3 and name O4') (resid  3 and name C1') 
        (resid  3 and name C2') (resid  3 and name C3')  10.0   32.5   7.5  2 
 assign (resid  3 and name C1') (resid  3 and name C2') 
        (resid  3 and name C3') (resid  3 and name C4')  10.0  -33.0   5.0  2 
 assign (resid  3 and name C2') (resid  3 and name C3') 
        (resid  3 and name C4') (resid  3 and name O4')  10.0   22.0  16.0  2 
 assign (resid  3 and name C3') (resid  3 and name C4') 
        (resid  3 and name O4') (resid  3 and name C1')  10.0   -2.0  20.0  2 
 assign (resid  4 and name C4') (resid  4 and name O4') 
        (resid  4 and name C1') (resid  4 and name C2')  10.0   -1.0  33.0  2 
 assign (resid  4 and name O4') (resid  4 and name C1') 
        (resid  4 and name C2') (resid  4 and name C3')  10.0   14.5  25.5  2 
 assign (resid  4 and name C1') (resid  4 and name C2') 
        (resid  4 and name C3') (resid  4 and name C4')  10.0  -23.0   8.5  2 
 assign (resid  4 and name C2') (resid  4 and name C3') 
        (resid  4 and name C4') (resid  4 and name O4')  10.0   21.5  11.5  2 
 assign (resid  4 and name C3') (resid  4 and name C4') 
        (resid  4 and name O4') (resid  4 and name C1')  10.0  -13.0  27.5  2 
 assign (resid  5 and name C4') (resid  5 and name O4') 
        (resid  5 and name C1') (resid  5 and name C2')  10.0   -1.0  35.0  2 
 assign (resid  5 and name O4') (resid  5 and name C1') 
        (resid  5 and name C2') (resid  5 and name C3')  10.0   13.0  27.0  2 
 assign (resid  5 and name C1') (resid  5 and name C2') 
        (resid  5 and name C3') (resid  5 and name C4')  10.0  -19.0   9.0  2 
 assign (resid  5 and name C2') (resid  5 and name C3') 
        (resid  5 and name C4') (resid  5 and name O4')  10.0   18.5  12.5  2 
 assign (resid  5 and name C3') (resid  5 and name C4') 
        (resid  5 and name O4') (resid  5 and name C1')  10.0  -11.0  29.0  2 
 assign (resid  6 and name C4') (resid  6 and name O4') 
        (resid  6 and name C1') (resid  6 and name C2')  10.0  -18.0  16.5  2 
 assign (resid  6 and name O4') (resid  6 and name C1') 
        (resid  6 and name C2') (resid  6 and name C3')  10.0   32.5   7.5  2 
 assign (resid  6 and name C1') (resid  6 and name C2') 
        (resid  6 and name C3') (resid  6 and name C4')  10.0  -35.0   3.5  2 
 assign (resid  6 and name C2') (resid  6 and name C3') 
        (resid  6 and name C4') (resid  6 and name O4')  10.0   24.0  14.0  2 
 assign (resid  6 and name C3') (resid  6 and name C4') 
        (resid  6 and name O4') (resid  6 and name C1')  10.0   -3.5  18.5  2 
 assign (resid  7 and name C4') (resid  7 and name O4') 
        (resid  7 and name C1') (resid  7 and name C2')  10.0  -17.0  17.5  2 
 assign (resid  7 and name O4') (resid  7 and name C1') 
        (resid  7 and name C2') (resid  7 and name C3')  10.0   31.0   9.0  2 
 assign (resid  7 and name C1') (resid  7 and name C2') 
        (resid  7 and name C3') (resid  7 and name C4')  10.0  -35.0   3.5  2 
 assign (resid  7 and name C2') (resid  7 and name C3') 
        (resid  7 and name C4') (resid  7 and name O4')  10.0   24.0  14.0  2 
 assign (resid  7 and name C3') (resid  7 and name C4') 
        (resid  7 and name O4') (resid  7 and name C1')  10.0   -5.0  20.0  2 
 assign (resid  8 and name C4') (resid  8 and name O4') 
        (resid  8 and name C1') (resid  8 and name C2')  10.0  -17.0  17.0  2 
 assign (resid  8 and name O4') (resid  8 and name C1') 
        (resid  8 and name C2') (resid  8 and name C3')  10.0   32.0   8.0  2 
 assign (resid  8 and name C1') (resid  8 and name C2') 
        (resid  8 and name C3') (resid  8 and name C4')  10.0  -35.0   3.5  2 
 assign (resid  8 and name C2') (resid  8 and name C3') 
        (resid  8 and name C4') (resid  8 and name O4')  10.0   24.0  14.0  2 
 assign (resid  8 and name C3') (resid  8 and name C4') 
        (resid  8 and name O4') (resid  8 and name C1')  10.0   -4.5  19.5  2 
 assign (resid  9 and name C4') (resid  9 and name O4') 
        (resid  9 and name C1') (resid  9 and name C2')  10.0  -16.0  16.0  2 
 assign (resid  9 and name O4') (resid  9 and name C1') 
        (resid  9 and name C2') (resid  9 and name C3')  10.0   32.0   8.0  2 
 assign (resid  9 and name C1') (resid  9 and name C2') 
        (resid  9 and name C3') (resid  9 and name C4')  10.0  -35.0   3.0  2 
 assign (resid  9 and name C2') (resid  9 and name C3') 
        (resid  9 and name C4') (resid  9 and name O4')  10.0   25.0  13.0  2 
 assign (resid  9 and name C3') (resid  9 and name C4') 
        (resid  9 and name O4') (resid  9 and name C1')  10.0   -6.0  18.0  2 
 assign (resid 10 and name C4') (resid 10 and name O4') 
        (resid 10 and name C1') (resid 10 and name C2')  10.0  -19.0  16.0  2 
 assign (resid 10 and name O4') (resid 10 and name C1') 
        (resid 10 and name C2') (resid 10 and name C3')  10.0   33.0   7.0  2 
 assign (resid 10 and name C1') (resid 10 and name C2') 
        (resid 10 and name C3') (resid 10 and name C4')  10.0  -35.0   4.5  2 
 assign (resid 10 and name C2') (resid 10 and name C3') 
        (resid 10 and name C4') (resid 10 and name O4')  10.0   22.5  14.5  2 
 assign (resid 10 and name C3') (resid 10 and name C4') 
        (resid 10 and name O4') (resid 10 and name C1')  10.0   -2.5  18.5  2 
 assign (resid 11 and name C4') (resid 11 and name O4') 
        (resid 11 and name C1') (resid 11 and name C2')  10.0  -19.0  13.0  2 
 assign (resid 11 and name O4') (resid 11 and name C1') 
        (resid 11 and name C2') (resid 11 and name C3')  10.0   34.0   6.0  2 
 assign (resid 11 and name C1') (resid 11 and name C2') 
        (resid 11 and name C3') (resid 11 and name C4')  10.0  -36.0   4.0  2 
 assign (resid 11 and name C2') (resid 11 and name C3') 
        (resid 11 and name C4') (resid 11 and name O4')  10.0   24.0  12.0  2 
 assign (resid 11 and name C3') (resid 11 and name C4') 
        (resid 11 and name O4') (resid 11 and name C1')  10.0   -3.0  15.0  2 
 assign (resid 12 and name C4') (resid 12 and name O4') 
        (resid 12 and name C1') (resid 12 and name C2')  10.0  -14.0  16.5  2 
 assign (resid 12 and name O4') (resid 12 and name C1') 
        (resid 12 and name C2') (resid 12 and name C3')  10.0   30.5   9.5  2 
 assign (resid 12 and name C1') (resid 12 and name C2') 
        (resid 12 and name C3') (resid 12 and name C4')  10.0  -36.0   1.0  2 
 assign (resid 12 and name C2') (resid 12 and name C3') 
        (resid 12 and name C4') (resid 12 and name O4')  10.0   27.5  11.5  2 
 assign (resid 12 and name C3') (resid 12 and name C4') 
        (resid 12 and name O4') (resid 12 and name C1')  10.0   -9.0  17.0  2 
 assign (resid 13 and name C4') (resid 13 and name O4') 
        (resid 13 and name C1') (resid 13 and name C2')  10.0  -12.0  18.0  2 
 assign (resid 13 and name O4') (resid 13 and name C1') 
        (resid 13 and name C2') (resid 13 and name C3')  10.0   29.5  10.5  2 
 assign (resid 13 and name C1') (resid 13 and name C2') 
        (resid 13 and name C3') (resid 13 and name C4')  10.0  -36.0   0.5  2 
 assign (resid 13 and name C2') (resid 13 and name C3') 
        (resid 13 and name C4') (resid 13 and name O4')  10.0   27.5  11.5  2 
 assign (resid 13 and name C3') (resid 13 and name C4') 
        (resid 13 and name O4') (resid 13 and name C1')  10.0  -10.0  18.0  2 
 
! chi angle
 assign (resid  9 and name O4') (resid  9 and name C1') 
        (resid  9 and name N1 ) (resid  9 and name C2 )  20.0  -120.0  10.0  2 

set message=on echo=on end


! Base Pair Planarity Restraints

set message=off echo=off end
! base pair planarity
assign  (resid 13 and name  C2 ) (resid 13 and name  N1 )
        (resid  1 and name  N3 ) (resid  1 and name  C2 ) 40.0    0.0 5.0 2
assign  (resid 13 and name  C2 ) (resid 13 and name  N1 )
        (resid  1 and name  N3 ) (resid  1 and name  C4 ) 40.0  180.0 5.0 2
assign  (resid  2 and name  C2 ) (resid  2 and name  N1 )
        (resid 12 and name  N3 ) (resid 12 and name  C2 ) 40.0    0.0 5.0 2
assign  (resid  2 and name  C2 ) (resid  2 and name  N1 )
        (resid 12 and name  N3 ) (resid 12 and name  C4 ) 40.0  180.0 5.0 2
assign  (resid 11 and name  C2 ) (resid 11 and name  N1 )
        (resid  3 and name  N3 ) (resid  3 and name  C2 ) 40.0    0.0 5.0 2
assign  (resid 11 and name  C2 ) (resid 11 and name  N1 )
        (resid  3 and name  N3 ) (resid  3 and name  C4 ) 40.0  180.0 5.0 2
assign  (resid  4 and name  C2 ) (resid  4 and name  N1 )
        (resid 10 and name  N3 ) (resid 10 and name  C2 ) 40.0    0.0 5.0 2
assign  (resid  4 and name  C2 ) (resid  4 and name  N1 )
        (resid 10 and name  N3 ) (resid 10 and name  C4 ) 40.0  180.0 5.0 2
assign  (resid  5 and name  C2 ) (resid  5 and name  N1 )
        (resid  9 and name  N3 ) (resid  9 and name  C2 ) 40.0    0.0 5.0 2
assign  (resid  5 and name  C2 ) (resid  5 and name  N1 )
        (resid  9 and name  N3 ) (resid  9 and name  C4 ) 40.0  180.0 5.0 2
 
set message=on echo=on end



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1          H5'         C   1  -1.796 -18.096  11.084
    2   2H5*    C   1          H5''        C   1  -1.211 -18.103  12.760
    3    H4*    C   1           H4'        C   1   0.424 -17.048  11.235
    4    H3*    C   1           H3'        C   1  -0.436 -16.042  13.672
    5    H1*    C   1           H1'        C   1   0.039 -13.753  10.585
    6   1H4     C   1          H41         C   1  -5.032 -10.373   8.807
    7   2H4     C   1          H42         C   1  -6.135 -11.576   9.436
    8    H5     C   1           H5         C   1  -5.402 -13.601  10.523
    9    H6     C   1           H6         C   1  -3.456 -14.906  11.242
   10    H5T    C   1           H5T        C   1  -2.519 -16.264  13.133
   11   1H2*    C   1          H2'         C   1  -1.811 -14.365  12.881
   12   2H2*    C   1          H2''        C   1  -0.262 -13.474  12.868
   13   1H5*    G   2          H5'         G   2   3.738 -14.244  11.978
   14   2H5*    G   2          H5''        G   2   4.792 -14.199  13.404
   15    H4*    G   2           H4'        G   2   5.397 -12.415  11.809
   16    H3*    G   2           H3'        G   2   5.058 -12.047  14.509
   17    H1*    G   2           H1'        G   2   3.442  -9.533  12.047
   18    H8     G   2           H8         G   2   1.080 -11.945  13.882
   19    H1     G   2           H1         G   2  -1.894  -7.463  10.459
   20   1H2     G   2          H21         G   2   1.314  -6.571   9.417
   21   2H2     G   2          H22         G   2  -0.406  -6.263   9.324
   22   1H2*    G   2          H2'         G   2   2.922 -11.176  14.473
   23   2H2*    G   2          H2''        G   2   3.855  -9.674  14.295
   24   1H5*    C   3          H5'         C   3   6.314  -8.210  12.137
   25   2H5*    C   3          H5''        C   3   7.732  -7.541  12.971
   26    H4*    C   3           H4'        C   3   6.532  -5.737  11.902
   27    H3*    C   3           H3'        C   3   7.073  -5.777  14.657
   28    H1*    C   3           H1'        C   3   3.786  -4.362  13.142
   29   1H4     C   3          H41         C   3  -0.516  -8.377  16.249
   30   2H4     C   3          H42         C   3  -1.469  -7.142  15.457
   31    H5     C   3           H5         C   3   1.887  -8.491  16.101
   32    H6     C   3           H6         C   3   3.892  -7.440  15.159
   33   1H2*    C   3          H2'         C   3   4.967  -5.825  15.477
   34   2H2*    C   3          H2''        C   3   4.989  -4.096  15.066
   35   1H5*    G   4          H5'         G   4   5.648  -2.229  12.910
   36   2H5*    G   4          H5''        G   4   6.748  -0.854  12.821
   37    H4*    G   4           H4'        G   4   4.664   0.180  12.775
   38    H3*    G   4           H3'        G   4   6.157   0.553  15.087
   39    H1*    G   4           H1'        G   4   2.307  -0.072  15.145
   40    H8     G   4           H8         G   4   4.533  -2.668  16.887
   41    H1     G   4           H1         G   4  -1.704  -4.015  16.957
   42   1H2     G   4          H21         G   4  -1.995  -1.222  14.888
   43   2H2     G   4          H22         G   4  -2.803  -2.531  15.721
   44   1H2*    G   4          H2'         G   4   4.899  -0.705  16.523
   45   2H2*    G   4          H2''        G   4   3.907   0.782  16.586
   46   1H5*    G   5          H5'         G   5   3.271   4.197  13.507
   47   2H5*    G   5          H5''        G   5   3.809   5.698  14.283
   48    H4*    G   5           H4'        G   5   1.455   5.830  13.783
   49    H3*    G   5           H3'        G   5   2.355   6.172  16.435
   50    H1*    G   5           H1'        G   5  -0.920   3.907  15.768
   51    H8     G   5           H8         G   5   2.629   2.764  16.398
   52    H1     G   5           H1         G   5  -1.740  -1.158  18.829
   53   1H2     G   5          H21         G   5  -3.769  -0.344  18.482
   54   2H2     G   5          H22         G   5  -4.047   1.172  17.654
   55   1H2*    G   5          H2'         G   5   1.124   4.732  17.598
   56   2H2*    G   5          H2''        G   5  -0.320   5.624  17.060
   57   1H5*    T   6          H5'         T   6  -1.280  10.158  16.431
   58   2H5*    T   6          H5''        T   6  -1.507   9.941  18.173
   59    H4*    T   6           H4'        T   6  -3.678  10.051  17.274
   60    H3*    T   6           H3'        T   6  -2.821   7.613  18.391
   61   1H2*    T   6          H2'         T   6  -2.971   6.386  16.447
   62   2H2*    T   6          H2''        T   6  -4.690   6.300  16.953
   63    H1*    T   6           H1'        T   6  -5.292   8.110  15.619
   64    H3     T   6           H3         T   6  -5.911   6.065  11.705
   65   1H5M    T   6          H51         T   6  -0.731   5.453  12.525
   66   2H5M    T   6          H52         T   6  -1.703   4.245  11.651
   67   3H5M    T   6          H53         T   6  -1.452   4.084  13.405
   68    H6     T   6           H6         T   6  -2.083   6.618  14.584
   69   1H5*    G   7          H5'         G   7  -5.892   4.457  17.952
   70   2H5*    G   7          H5''        G   7  -6.715   5.091  19.397
   71    H4*    G   7           H4'        G   7  -5.848   2.756  19.740
   72    H3*    G   7           H3'        G   7  -5.736   4.888  21.443
   73    H1*    G   7           H1'        G   7  -2.736   2.530  20.919
   74    H8     G   7           H8         G   7  -2.278   6.098  19.498
   75    H1     G   7           H1         G   7   3.087   2.716  20.168
   76   1H2     G   7          H21         G   7   2.595   0.642  20.808
   77   2H2     G   7          H22         G   7   0.949   0.103  21.055
   78   1H2*    G   7          H2'         G   7  -3.548   5.400  21.118
   79   2H2*    G   7          H2''        G   7  -3.366   4.169  22.394
   80   1H5*    T   8          H5'         T   8  -5.077   1.011  22.367
   81   2H5*    T   8          H5''        T   8  -6.018   0.010  23.489
   82    H4*    T   8           H4'        T   8  -3.931  -1.081  23.193
   83    H3*    T   8           H3'        T   8  -4.750  -0.131  25.692
   84   1H2*    T   8          H2'         T   8  -3.077   1.474  25.899
   85   2H2*    T   8          H2''        T   8  -2.167   0.049  26.510
   86    H1*    T   8           H1'        T   8  -1.149  -0.288  24.436
   87    H3     T   8           H3         T   8   2.126   2.678  24.885
   88   1H5M    T   8          H51         T   8  -1.988   5.771  23.823
   89   2H5M    T   8          H52         T   8  -0.647   6.303  24.865
   90   3H5M    T   8          H53         T   8  -2.106   5.587  25.590
   91    H6     T   8           H6         T   8  -2.656   3.122  24.283
   92   1H5*    C   9          H5'         C   9  -6.862  -4.383  25.721
   93   2H5*    C   9          H5''        C   9  -5.255  -4.321  24.970
   94    H4*    C   9           H4'        C   9  -7.474  -2.335  24.342
   95    H3*    C   9           H3'        C   9  -7.581  -5.003  23.632
   96    H1*    C   9           H1'        C   9  -6.108  -2.386  21.196
   97   1H4     C   9          H41         C   9   0.297  -4.131  20.767
   98   2H4     C   9          H42         C   9   0.028  -2.856  19.601
   99    H5     C   9           H5         C   9  -1.416  -4.962  22.235
  100    H6     C   9           H6         C   9  -3.732  -4.704  22.962
  101   1H2*    C   9          H2'         C   9  -5.662  -5.119  22.351
  102   2H2*    C   9          H2''        C   9  -6.802  -4.553  21.116
  103   1H5*    C  10          H5'         C  10  -9.435  -2.010  20.644
  104   2H5*    C  10          H5''        C  10 -10.741  -2.584  19.592
  105    H4*    C  10           H4'        C  10  -9.093  -1.157  18.400
  106    H3*    C  10           H3'        C  10 -10.104  -3.648  17.536
  107    H1*    C  10           H1'        C  10  -6.587  -2.281  16.878
  108   1H4     C  10          H41         C  10  -1.585  -5.774  18.701
  109   2H4     C  10          H42         C  10  -2.615  -6.894  19.566
  110    H5     C  10           H5         C  10  -5.008  -6.636  19.721
  111    H6     C  10           H6         C  10  -6.934  -5.307  18.987
  112   1H2*    C  10          H2'         C  10  -8.136  -4.793  17.518
  113   2H2*    C  10          H2''        C  10  -7.924  -3.954  15.965
  114   1H5*    G  11          H5'         G  11  -8.993  -0.254  14.300
  115   2H5*    G  11          H5''        G  11 -10.103  -0.449  12.932
  116    H4*    G  11           H4'        G  11  -7.914   0.459  12.225
  117    H3*    G  11           H3'        G  11  -9.295  -1.584  10.998
  118    H1*    G  11           H1'        G  11  -5.469  -1.754  11.497
  119    H8     G  11           H8         G  11  -7.551  -4.219  13.593
  120    H1     G  11           H1         G  11  -1.252  -5.100  13.995
  121   1H2     G  11          H21         G  11  -0.191  -3.522  12.846
  122   2H2     G  11          H22         G  11  -1.039  -2.256  11.987
  123   1H2*    G  11          H2'         G  11  -8.000  -3.342  11.697
  124   2H2*    G  11          H2''        G  11  -7.065  -2.835  10.264
  125   1H5*    C  12          H5'         C  12  -5.471  -0.056   8.825
  126   2H5*    C  12          H5''        C  12  -5.972   0.261   7.170
  127    H4*    C  12           H4'        C  12  -3.613  -0.264   7.187
  128    H3*    C  12           H3'        C  12  -5.428  -1.581   5.560
  129    H1*    C  12           H1'        C  12  -2.517  -3.428   7.317
  130   1H4     C  12          H41         C  12  -4.165  -8.079  11.362
  131   2H4     C  12          H42         C  12  -5.837  -7.569  11.329
  132    H5     C  12           H5         C  12  -6.613  -5.665  10.060
  133    H6     C  12           H6         C  12  -5.961  -3.871   8.571
  134   1H2*    C  12          H2'         C  12  -5.470  -3.604   6.701
  135   2H2*    C  12          H2''        C  12  -4.064  -3.898   5.635
  136   1H5*    G  13          H5'         G  13  -0.931  -1.597   4.489
  137   2H5*    G  13          H5''        G  13  -0.483  -1.773   2.780
  138    H4*    G  13           H4'        G  13   1.091  -2.933   4.342
  139    H3*    G  13           H3'        G  13   0.143  -3.864   1.922
  140    H1*    G  13           H1'        G  13   0.379  -6.147   5.007
  141    H8     G  13           H8         G  13  -3.340  -5.169   4.292
  142    H1     G  13           H1         G  13  -2.533  -9.936   8.440
  143   1H2     G  13          H21         G  13   0.877  -9.348   7.986
  144   2H2     G  13          H22         G  13  -0.363 -10.288   8.785
  145    H3T    G  13           H3T        G  13   1.945  -5.220   3.682
  146   1H2*    G  13          H2'         G  13  -1.506  -5.312   2.802
  147   2H2*    G  13          H2''        G  13  -0.101  -6.426   2.741