*HEADER    RNA                                     06-OCT-03   1R4H              
*TITLE     NMR SOLUTION STRUCTURE OF THE IIIC DOMAIN OF GB VIRUS B               
*TITLE    2 IRES ELEMENT                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3';                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OCCURS NATURALLY IN GB VIRUS B           
*SOURCE   4 AND WAS SYNTHESIZED IN VITRO TRANCRIPTION USING T7 RNA               
*SOURCE   5 POLYMERASE.                                                          
*KEYWDS    GB VIRUS B, IRES, HAIRPIN LOOP                                        
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    K.KALUARACHCHI, V.THIVIYANATHAN, R.RIJINBRAND, S.M.LEMON,             
*AUTHOR   2 D.G.GORENSTEIN                                                       
*REVDAT   1   19-OCT-04 1R4H    0                                                

assign ( resid  1 and name  H1'  ) ( resid  1 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  1 and name  H1'  ) ( resid  1 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  1 and name  H1'  ) ( resid  1 and name  H5'  ) 4.80 1.0 0.5
assign ( resid  1 and name  H1'  ) ( resid  1 and name H2''  ) 3.00 1.0 0.5
assign ( resid  1 and name  H1'  ) ( resid  1 and name H5''  ) 5.30 1.0 0.5
assign ( resid  1 and name  H1'  ) ( resid  2 and name  H1'  ) 4.50 1.4 1.5
assign ( resid  1 and name  H3'  ) ( resid  1 and name  H4'  ) 3.00 1.2 0.5
assign ( resid  1 and name  H4'  ) ( resid  1 and name  H5'  ) 2.60 0.8 0.4
assign ( resid  1 and name  H4'  ) ( resid  1 and name H5''  ) 2.30 0.5 0.3
assign ( resid  1 and name  H8   ) ( resid  1 and name  H1'  ) 3.80 1.0 1.0
assign ( resid  1 and name  H8   ) ( resid  1 and name  H3'  ) 3.40 1.0 1.0
assign ( resid  1 and name  H8   ) ( resid  1 and name  H4'  ) 4.20 1.4 0.8
assign ( resid  1 and name  H8   ) ( resid  1 and name  H5'  ) 4.80 2.0 0.8
assign ( resid  1 and name  H8   ) ( resid  1 and name H2''  ) 4.50 2.2 2.2
assign ( resid  1 and name  H8   ) ( resid  1 and name H5''  ) 4.80 2.0 0.8
assign ( resid  1 and name  H8   ) ( resid  2 and name  H8   ) 4.50 2.0 1.6
!
assign ( resid  2 and name  H8   ) ( resid  1 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  2 and name  H8   ) ( resid  1 and name  H3'  ) 3.40 1.0 1.0
assign ( resid  2 and name  H8   ) ( resid  1 and name H2''  ) 3.50 2.2 1.8
assign ( resid  1 and name  H3'  ) ( resid  1 and name H2''  ) 2.40 0.3 0.5
assign ( resid  1 and name  H4'  ) ( resid  1 and name H2''  ) 3.60 0.5 0.4
assign ( resid  1 and name  H5'  ) ( resid  1 and name H2''  ) 3.50 1.1 1.5
assign ( resid  2 and name  H1'  ) ( resid  2 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  2 and name  H1'  ) ( resid  2 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  2 and name  H1'  ) ( resid  2 and name  H5'  ) 4.80 1.0 0.5
assign ( resid  2 and name  H1'  ) ( resid  2 and name H2''  ) 3.00 1.0 0.5
assign ( resid  2 and name  H1'  ) ( resid  2 and name H5''  ) 5.30 1.0 0.5
assign ( resid  2 and name  H1'  ) ( resid  3 and name  H1'  ) 4.50 1.4 1.5
assign ( resid  2 and name  H3'  ) ( resid  2 and name  H4'  ) 3.00 0.5 0.5
assign ( resid  2 and name  H4'  ) ( resid  2 and name  H5'  ) 2.60 0.8 0.4
assign ( resid  2 and name  H4'  ) ( resid  2 and name H5''  ) 2.30 0.5 0.3
assign ( resid  2 and name  H8   ) ( resid  2 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  2 and name  H8   ) ( resid  2 and name  H3'  ) 3.20 1.0 0.8
assign ( resid  2 and name  H8   ) ( resid  2 and name  H4'  ) 4.20 1.4 0.8
assign ( resid  2 and name  H8   ) ( resid  2 and name  H5'  ) 4.80 2.0 0.8
assign ( resid  2 and name  H8   ) ( resid  2 and name H2''  ) 3.70 1.9 0.8
assign ( resid  2 and name  H8   ) ( resid  2 and name H5''  ) 4.80 2.0 0.8
assign ( resid  2 and name  H8   ) ( resid  3 and name  H8   ) 4.50 2.0 1.4
assign ( resid  2 and name H2''  ) ( resid  2 and name  H3'  ) 2.40 0.3 0.3
assign ( resid  2 and name H2''  ) ( resid  2 and name  H4'  ) 3.80 0.3 0.3
assign ( resid  2 and name H2''  ) ( resid  3 and name  H5'  ) 2.90 1.1 0.4
assign ( resid  2 and name H2''  ) ( resid  3 and name H5''  ) 4.30 2.5 1.1
!
assign ( resid  3 and name  H1'  ) ( resid  2 and name  H3'  ) 4.80 1.4 1.5
assign ( resid  3 and name  H1'  ) ( resid  2 and name H2''  ) 4.50 1.4 1.5
assign ( resid  3 and name  H8   ) ( resid  2 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  3 and name  H8   ) ( resid  2 and name  H3'  ) 2.80 1.0 0.8
assign ( resid  3 and name  H8   ) ( resid  2 and name H2''  ) 2.20 0.2 0.8
!
assign ( resid  3 and name  H1'  ) ( resid  3 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  3 and name  H1'  ) ( resid  3 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  3 and name  H1'  ) ( resid  3 and name  H5'  ) 4.80 1.0 0.5
assign ( resid  3 and name  H1'  ) ( resid  3 and name H2''  ) 3.00 1.0 0.5
assign ( resid  3 and name  H1'  ) ( resid  3 and name H5''  ) 5.30 1.0 0.5
assign ( resid  3 and name  H1'  ) ( resid  4 and name  H5   ) 4.00 0.5 1.5
assign ( resid  3 and name  H1'  ) ( resid  4 and name  H1'  ) 4.50 0.5 2.0
assign ( resid  3 and name  H3'  ) ( resid  3 and name  H4'  ) 3.00 0.5 0.5
assign ( resid  3 and name  H3'  ) ( resid  4 and name  H5'  ) 4.00 2.2 0.8
assign ( resid  3 and name  H8   ) ( resid  3 and name  H1'  ) 3.50 1.0 0.8
assign ( resid  3 and name  H8   ) ( resid  3 and name  H3'  ) 3.20 1.0 1.0
assign ( resid  3 and name  H8   ) ( resid  3 and name  H4'  ) 4.20 1.4 0.8
assign ( resid  3 and name  H8   ) ( resid  3 and name H2''  ) 3.70 1.9 0.4
assign ( resid  3 and name  H8   ) ( resid  4 and name  H6   ) 4.50 0.5 1.4
assign ( resid  3 and name H2''  ) ( resid  3 and name  H3'  ) 2.40 0.4 0.4
assign ( resid  3 and name H2''  ) ( resid  3 and name  H4'  ) 3.80 0.3 0.3
!
assign ( resid  4 and name  H6   ) ( resid  3 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  4 and name  H6   ) ( resid  3 and name  H3'  ) 2.80 1.0 0.8
assign ( resid  4 and name  H6   ) ( resid  3 and name H2''  ) 2.80 0.8 0.8
!
assign ( resid  4 and name  H1'  ) ( resid  4 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  4 and name  H1'  ) ( resid  4 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  4 and name  H1'  ) ( resid  4 and name H2''  ) 3.00 1.0 0.5
assign ( resid  4 and name  H6   ) ( resid  4 and name  H1'  ) 3.30 0.8 1.0
assign ( resid  4 and name  H6   ) ( resid  4 and name H2''  ) 3.70 1.9 0.8
assign ( resid  4 and name H2''  ) ( resid  4 and name  H3'  ) 2.40 0.3 0.3
assign ( resid  4 and name H2''  ) ( resid  4 and name  H4'  ) 3.90 0.3 0.3
assign ( resid  4 and name H5    ) ( resid  5 and name  H1'  ) 3.80 1.5 1.2
assign ( resid  5 and name  H8   ) ( resid  4 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  5 and name  H8   ) ( resid  4 and name H2''  ) 2.80 0.5 0.8
assign ( resid  5 and name  H8   ) ( resid  4 and name H5    ) 4.20 1.0 1.0
!
assign ( resid  5 and name  H1'  ) ( resid  4 and name  H1'  ) 5.00 0.5 1.0
assign ( resid  5 and name  H1'  ) ( resid  5 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  5 and name  H1'  ) ( resid  5 and name H2''  ) 3.00 1.0 0.5
assign ( resid  5 and name  H1'  ) ( resid  6 and name  H8   ) 3.20 1.4 1.2
assign ( resid  5 and name  H2   ) ( resid  6 and name  H2   ) 4.50 1.0 1.1
assign ( resid  5 and name  H2   ) ( resid  5 and name  H1'  ) 4.50 1.0 1.0
assign ( resid  5 and name  H8   ) ( resid  6 and name  H8   ) 4.50 1.0 1.2
assign ( resid  5 and name  H2   ) ( resid  6 and name  H8   ) 3.50 1.7 1.1
assign ( resid  5 and name  H8   ) ( resid  5 and name  H1'  ) 3.20 1.0 0.8
assign ( resid  5 and name  H8   ) ( resid  5 and name  H3'  ) 3.00 1.0 0.8
assign ( resid  5 and name  H8   ) ( resid  5 and name H2''  ) 3.70 1.9 1.2
assign ( resid  5 and name  H8   ) ( resid  6 and name  H8   ) 4.00 2.0 1.8
assign ( resid  5 and name  H2'' ) ( resid  5 and name  H3'  ) 2.40 0.3 0.3
assign ( resid  6 and name  H1'  ) ( resid  6 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  6 and name  H1'  ) ( resid  6 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  6 and name  H8   ) ( resid  5 and name  H1'  ) 3.60 1.0 0.8
assign ( resid  6 and name  H8   ) ( resid  5 and name H2''  ) 2.40 0.4 0.8
assign ( resid  6 and name  H8   ) ( resid  6 and name  H1'  ) 3.80 1.0 1.0
assign ( resid  6 and name  H8   ) ( resid  6 and name  H3'  ) 2.80 1.0 0.8
assign ( resid  6 and name  H8   ) ( resid  6 and name  H4'  ) 4.20 1.4 0.8
assign ( resid  6 and name  H8   ) ( resid  6 and name  H4'  ) 4.80 1.4 1.2
assign ( resid  6 and name  H8   ) ( resid  6 and name H2''  ) 3.70 1.9 1.2
assign ( resid  6 and name  H8   ) ( resid  7 and name  H8   ) 4.50 2.0 1.2
assign ( resid  7 and name  H8   ) ( resid  6 and name  H1'  ) 3.20 1.4 1.2
assign ( resid  7 and name  H8   ) ( resid  6 and name  H2'' ) 3.80 1.0 1.2
assign ( resid  7 and name  H8   ) ( resid  6 and name  H3'  ) 3.30 1.0 0.8
assign ( resid  7 and name  H8   ) ( resid  7 and name  H1'  ) 3.80 1.2 0.8
assign ( resid  7 and name  H8   ) ( resid  7 and name  H2'' ) 2.80 1.0 1.5
assign ( resid  7 and name  H8   ) ( resid  8 and name  H6   ) 3.80 1.0 1.0
assign ( resid  7 and name  H1'  ) ( resid  8 and name  H5   ) 4.00 1.4 1.5
assign ( resid  7 and name  H8   ) ( resid  8 and name  H5   ) 4.20 1.0 1.2
assign ( resid  7 and name  H8   ) ( resid  8 and name  H6   ) 4.20 2.0 1.2
assign ( resid  8 and name  H1'  ) ( resid  8 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  8 and name  H1'  ) ( resid  8 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  8 and name  H1'  ) ( resid  8 and name H2''  ) 3.00 1.0 0.5
assign ( resid  8 and name  H1'  ) ( resid  9 and name  H1'  ) 4.60 1.8 1.1
assign ( resid  8 and name  H1'  ) ( resid  9 and name  H5   ) 3.80 2.0 1.0
assign ( resid  8 and name  H3'  ) ( resid  8 and name  H4'  ) 3.00 0.5 0.5
assign ( resid  8 and name  H6   ) ( resid  7 and name  H1'  ) 3.50 1.0 0.4
assign ( resid  8 and name  H6   ) ( resid  7 and name  H3'  ) 3.00 1.0 3.0
assign ( resid  8 and name  H6   ) ( resid  7 and name H2''  ) 2.60 0.6 0.8
assign ( resid  8 and name  H6   ) ( resid  8 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  8 and name  H6   ) ( resid  8 and name  H3'  ) 3.20 1.0 0.8
assign ( resid  8 and name  H6   ) ( resid  8 and name  H5'  ) 4.80 2.0 0.8
assign ( resid  8 and name  H6   ) ( resid  8 and name H2''  ) 3.70 1.9 1.2
assign ( resid  8 and name  H6   ) ( resid  8 and name H5''  ) 4.80 2.0 0.8
assign ( resid  8 and name  H6   ) ( resid  9 and name  H6   ) 4.50 2.0 1.6
assign ( resid  8 and name H2''  ) ( resid  8 and name  H3'  ) 2.40 0.3 0.3
assign ( resid  8 and name H2''  ) ( resid  8 and name  H4'  ) 3.80 0.3 0.3
assign ( resid  9 and name  H1'  ) ( resid  9 and name  H3'  ) 4.00 1.0 0.5
assign ( resid  9 and name  H1'  ) ( resid  9 and name  H4'  ) 3.30 1.0 0.5
assign ( resid  9 and name  H1'  ) ( resid  9 and name  H5'  ) 4.80 1.0 0.5
assign ( resid  9 and name  H1'  ) ( resid  9 and name H2''  ) 3.00 1.0 0.5
assign ( resid  9 and name  H3'  ) ( resid  9 and name  H4'  ) 3.00 0.5 0.5
assign ( resid  9 and name  H6   ) ( resid  8 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  9 and name  H6   ) ( resid  8 and name  H3'  ) 2.80 1.0 0.8
assign ( resid  9 and name  H6   ) ( resid  8 and name  H5   ) 4.80 1.0 1.2
assign ( resid  9 and name  H6   ) ( resid  8 and name H2''  ) 2.60 0.6 0.8
assign ( resid  9 and name  H6   ) ( resid  9 and name  H1'  ) 3.80 1.0 0.8
assign ( resid  9 and name  H6   ) ( resid  9 and name  H3'  ) 3.20 1.0 0.8
!
assign ( resid  9 and name  H6   ) ( resid  9 and name H2''  ) 3.70 1.9 0.6
assign ( resid  9 and name  H6   ) ( resid 10 and name  H6   ) 4.50 2.0 1.2
assign ( resid 10 and name  H1'  ) ( resid 10 and name  H3'  ) 4.00 1.0 0.5
assign ( resid 10 and name  H1'  ) ( resid 10 and name H2''  ) 3.00 1.0 0.5
assign ( resid 10 and name  H3'  ) ( resid 10 and name  H4'  ) 2.65 0.4 0.4
assign ( resid 10 and name  H6   ) ( resid  9 and name  H1'  ) 3.80 1.0 0.8
assign ( resid 10 and name  H6   ) ( resid  9 and name  H3'  ) 2.80 1.0 0.8
assign ( resid 10 and name  H6   ) ( resid  9 and name H2''  ) 2.60 0.6 0.8
assign ( resid 10 and name  H6   ) ( resid 10 and name  H3'  ) 3.40 1.0 0.8
assign ( resid 10 and name  H6   ) ( resid 10 and name  H4'  ) 4.80 1.4 1.2
assign ( resid 10 and name  H6   ) ( resid 10 and name  H5'  ) 4.80 2.0 0.8
!
assign ( resid  2 and name  H1   ) ( resid  3 and name   H1  ) 4.00 0.8 1.5
assign ( resid  2 and name  H1   ) ( resid  1 and name   H1  ) 4.00 0.8 1.5
assign ( resid  1 and name  N2   ) ( resid 10 and name  O2   ) 3.05 0.3 0.6
assign ( resid  1 and name  N1   ) ( resid 10 and name  N3   ) 2.9  0.3 0.3
assign ( resid  1 and name  O6   ) ( resid 10 and name  N4   ) 2.72 0.5 0.6
assign ( resid  1 and name  H22  ) ( resid 10 and name  O2   ) 2.08 0.3 0.6
assign ( resid  1 and name  H1   ) ( resid 10 and name  N3   ) 1.85 0.3 0.3
assign ( resid  1 and name  O6   ) ( resid 10 and name  H42  ) 1.75 0.3 0.6
assign ( resid  2 and name  N2   ) ( resid  9 and name  O2   ) 3.05 0.3 0.6
assign ( resid  2 and name  N1   ) ( resid  9 and name  N3   ) 2.9  0.3 0.3
assign ( resid  2 and name  O6   ) ( resid  9 and name  N4   ) 2.72 0.5 0.6
assign ( resid  2 and name  H22  ) ( resid  9 and name  O2   ) 2.08 0.3 0.6
assign ( resid  2 and name  H1   ) ( resid  9 and name  N3   ) 1.85 0.3 0.3
assign ( resid  2 and name  O6   ) ( resid  9 and name  H42  ) 1.75 0.3 0.6
assign ( resid  3 and name  N2   ) ( resid  8 and name  O2   ) 3.05 0.3 0.6
assign ( resid  3 and name  N1   ) ( resid  8 and name  N3   ) 2.9  0.3 0.3
assign ( resid  3 and name  O6   ) ( resid  8 and name  N4   ) 2.72 0.5 0.6
assign ( resid  3 and name  H22  ) ( resid  8 and name  O2   ) 2.08 0.3 0.6
assign ( resid  3 and name  H1   ) ( resid  8 and name  N3   ) 1.85 0.3 0.3
assign ( resid  3 and name  O6   ) ( resid  8 and name  H42  ) 1.75 0.3 0.6
!GC
assign ( resid  4 and name  O2   ) ( resid  7 and name  N2   ) 3.05 0.3 1.0
assign ( resid  4 and name  N3   ) ( resid  7 and name  N1   ) 2.9  0.3 1.0
assign ( resid  4 and name  N4   ) ( resid  7 and name  O6   ) 2.72 0.5 1.0
assign ( resid  4 and name  O2   ) ( resid  7 and name  H22  ) 2.08 0.3 1.0
assign ( resid  4 and name  N3   ) ( resid  7 and name  H1   ) 1.85 0.3 1.0
assign ( resid  4 and name  H42  ) ( resid  7 and name  O6   ) 1.75 0.3 1.0    



  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*      GUA   1  -8.481  -5.183  15.335
    2   2H5*    G   1          2H5*      GUA   1  -9.546  -6.147  14.279
    3    H4*    G   1           H4*      GUA   1  -9.753  -4.381  12.848
    4    H3*    G   1           H3*      GUA   1  -6.750  -4.151  13.192
    5    H2*    G   1           H2*      GUA   1  -6.800  -1.956  12.365
    6   2HO*    G   1          2HO*      GUA   1  -8.666  -1.110  11.314
    7    H1*    G   1           H1*      GUA   1  -9.172  -1.185  13.566
    8    H8     G   1           H8       GUA   1  -5.599  -2.403  14.276
    9    H1     G   1           H1       GUA   1  -7.672   2.076  18.314
   10   1H2     G   1          1H2       GUA   1 -10.763   1.606  16.774
   11   2H2     G   1          2H2       GUA   1  -9.832   2.463  17.983
   12    H5T    G   1           H5T      GUA   1  -7.586  -7.133  14.259
   13   1H5*    G   2          1H5*      GUA   2 -10.558  -2.194  10.143
   14   2H5*    G   2          2H5*      GUA   2 -10.596  -2.980   8.542
   15    H4*    G   2           H4*      GUA   2 -10.417  -0.717   7.982
   16    H3*    G   2           H3*      GUA   2  -7.608  -1.804   8.362
   17    H2*    G   2           H2*      GUA   2  -6.723   0.316   7.876
   18   2HO*    G   2          2HO*      GUA   2  -7.925   1.943   6.894
   19    H1*    G   2           H1*      GUA   2  -8.618   1.805   9.214
   20    H8     G   2           H8       GUA   2  -6.259  -1.189   9.962
   21    H1     G   2           H1       GUA   2  -5.668   3.730  13.977
   22   1H2     G   2          1H2       GUA   2  -8.367   5.086  12.229
   23   2H2     G   2          2H2       GUA   2  -7.206   5.270  13.524
   24   1H5*    G   3          1H5*      GUA   3  -8.553  -0.007   5.136
   25   2H5*    G   3          2H5*      GUA   3  -8.620  -0.350   3.388
   26    H4*    G   3           H4*      GUA   3  -7.575   1.681   3.251
   27    H3*    G   3           H3*      GUA   3  -5.354  -0.183   4.148
   28    H2*    G   3           H2*      GUA   3  -3.898   1.651   4.346
   29   2HO*    G   3          2HO*      GUA   3  -4.363   3.674   3.417
   30    H1*    G   3           H1*      GUA   3  -5.719   3.458   5.349
   31    H8     G   3           H8       GUA   3  -5.290  -0.204   6.574
   32    H1     G   3           H1       GUA   3  -2.676   4.226  10.346
   33   1H2     G   3          1H2       GUA   3  -3.753   6.484   7.911
   34   2H2     G   3          2H2       GUA   3  -2.942   6.242   9.442
   35   1H5*    C   4          1H5*      CYT   4  -5.117   2.307   1.340
   36   2H5*    C   4          2H5*      CYT   4  -5.012   2.459  -0.425
   37    H4*    C   4           H4*      CYT   4  -3.264   3.862  -0.180
   38    H3*    C   4           H3*      CYT   4  -2.026   1.518   1.331
   39    H2*    C   4           H2*      CYT   4  -0.153   3.006   1.640
   40   2HO*    C   4          2HO*      CYT   4  -0.472   4.029  -0.526
   41    H1*    C   4           H1*      CYT   4  -1.685   5.021   2.517
   42   1H4     C   4          1H4       CYT   4  -0.702   0.221   6.999
   43   2H4     C   4          2H4       CYT   4  -0.245   1.727   7.755
   44    H5     C   4           H5       CYT   4  -1.525   0.081   4.748
   45    H6     C   4           H6       CYT   4  -2.301   1.351   2.819
   46   1H5*    A   5          1H5*      ADE   5   0.807  -1.530  -0.173
   47   2H5*    A   5          2H5*      ADE   5  -0.438  -1.938   1.025
   48    H4*    A   5           H4*      ADE   5   1.769  -2.143   2.055
   49    H3*    A   5           H3*      ADE   5  -0.271  -0.742   3.168
   50    H2*    A   5           H2*      ADE   5   0.235   1.401   2.483
   51   2HO*    A   5          2HO*      ADE   5   1.425   0.839   4.926
   52    H1*    A   5           H1*      ADE   5   3.157   1.139   2.850
   53    H8     A   5           H8       ADE   5   0.514   1.610   0.088
   54   1H6     A   5          1H6       ADE   5   3.733   6.638  -1.485
   55   2H6     A   5          2H6       ADE   5   2.345   5.648  -1.876
   56    H2     A   5           H2       ADE   5   5.739   4.722   2.056
   57   1H5*    A   6          1H5*      ADE   6   4.213   1.186   3.229
   58   2H5*    A   6          2H5*      ADE   6   5.166  -0.291   3.458
   59    H4*    A   6           H4*      ADE   6   6.733   0.940   4.487
   60    H3*    A   6           H3*      ADE   6   4.984   0.451   6.510
   61    H2*    A   6           H2*      ADE   6   3.621   2.296   6.339
   62   2HO*    A   6          2HO*      ADE   6   5.715   3.622   7.717
   63    H1*    A   6           H1*      ADE   6   5.824   4.244   5.768
   64    H8     A   6           H8       ADE   6   2.456   2.703   4.682
   65   1H6     A   6          1H6       ADE   6   0.828   8.413   3.022
   66   2H6     A   6          2H6       ADE   6   0.288   6.757   3.185
   67    H2     A   6           H2       ADE   6   5.120   8.521   4.354
   68   1H5*    G   7          1H5*      GUA   7   8.955   4.401   9.245
   69   2H5*    G   7          2H5*      GUA   7   7.756   3.455  10.164
   70    H4*    G   7           H4*      GUA   7   7.647   6.189   9.037
   71    H3*    G   7           H3*      GUA   7   6.162   4.544  11.120
   72    H2*    G   7           H2*      GUA   7   4.391   6.079  11.068
   73   2HO*    G   7          2HO*      GUA   7   6.072   7.831   9.561
   74    H1*    G   7           H1*      GUA   7   4.396   6.562   8.365
   75    H8     G   7           H8       GUA   7   4.695   2.976   9.827
   76    H1     G   7           H1       GUA   7  -1.161   4.679   7.971
   77   1H2     G   7          1H2       GUA   7   0.279   7.788   7.326
   78   2H2     G   7          2H2       GUA   7  -1.161   6.793   7.294
   79   1H5*    C   8          1H5*      CYT   8   4.804   9.045  13.837
   80   2H5*    C   8          2H5*      CYT   8   3.998   7.472  13.993
   81    H4*    C   8           H4*      CYT   8   3.286   9.810  12.211
   82    H3*    C   8           H3*      CYT   8   1.882   7.962  14.173
   83    H2*    C   8           H2*      CYT   8  -0.146   8.298  13.043
   84   2HO*    C   8          2HO*      CYT   8  -0.455   9.969  11.557
   85    H1*    C   8           H1*      CYT   8   0.852   8.254  10.486
   86   1H4     C   8          1H4       CYT   8   0.131   1.931  12.239
   87   2H4     C   8          2H4       CYT   8  -1.502   2.452  11.889
   88    H5     C   8           H5       CYT   8   2.013   3.436  12.284
   89    H6     C   8           H6       CYT   8   2.740   5.751  11.992
   90   1H5*    C   9          1H5*      CYT   9  -1.571  11.667  16.461
   91   2H5*    C   9          2H5*      CYT   9  -1.523   9.911  16.721
   92    H4*    C   9           H4*      CYT   9  -3.285  11.530  14.918
   93    H3*    C   9           H3*      CYT   9  -3.499   9.041  16.651
   94    H2*    C   9           H2*      CYT   9  -5.346   8.317  15.387
   95   2HO*    C   9          2HO*      CYT   9  -6.661   9.670  14.394
   96    H1*    C   9           H1*      CYT   9  -4.342   9.014  12.913
   97   1H4     C   9          1H4       CYT   9  -1.400   3.295  14.295
   98   2H4     C   9          2H4       CYT   9  -3.055   2.821  13.985
   99    H5     C   9           H5       CYT   9  -0.682   5.602  14.405
  100    H6     C   9           H6       CYT   9  -1.429   7.923  14.405
  101   1H5*    C  10          1H5*      CYT  10  -7.204  10.503  16.607
  102   2H5*    C  10          2H5*      CYT  10  -7.848  11.092  18.154
  103    H4*    C  10           H4*      CYT  10  -9.541   9.731  17.016
  104    H3*    C  10           H3*      CYT  10  -8.222   8.534  19.476
  105    H2*    C  10           H2*      CYT  10  -9.621   6.654  19.319
  106   2HO*    C  10          2HO*      CYT  10 -11.509   6.632  18.151
  107    H1*    C  10           H1*      CYT  10  -9.563   6.414  16.560
  108   1H4     C  10          1H4       CYT  10  -5.371   2.469  19.521
  109   2H4     C  10          2H4       CYT  10  -4.187   3.185  18.454
  110    H5     C  10           H5       CYT  10  -4.629   5.170  17.136
  111    H6     C  10           H6       CYT  10  -6.340   6.795  16.464
  112    H3T    C  10           H3T      CYT  10 -10.835   9.582  18.949