*HEADER    DNA                                     23-JAN-01   1HZ0              
*TITLE     NMR STRUCTURE OF THE 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-            
*TITLE    2 B]PYRIDINE (PHIP) C8-DEOXYGUANOSINE ADDUCT IN DUPLEX DNA             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA (5'-D(*CP*CP*AP*TP*CP*(+G)P*CP*TP*AP*CP*C)-            
*COMPND   3 3');                                                                 
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: PHIP DNA ADDUCT;                                      
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: DNA (5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3');           
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: DNA OLIGOMERS SYNTHESIZED ON AN ABI 394               
*SOURCE   4 DNA/RNA SYNTHESIZER AND CHEMICALLY MODIFIED BY N-ACETOXY-            
*SOURCE   5 PHIP;                                                                
*SOURCE   6 MOL_ID: 2;                                                           
*SOURCE   7 SYNTHETIC: YES                                                       
*KEYWDS    DNA ADDUCT DUPLEX                                                     
*EXPDTA    NMR, 6 STRUCTURES                                                     
*AUTHOR    K.BROWN, M.COSMAN                                                     
*REVDAT   1   08-AUG-01 1HZ0    0                                                


!Exchange between two conformers is present, constraint list is only for major conformer
!Relative population of major conformer is temperature dependent
!Due to confomational exchange, wide bounds of +/-20% were given for nonexchangeable proton-proton distances
!Due to temperature dependence, wide bounds of +/-30% were given for exchangeable proton-proton distances
!Nonexchangeable proton-proton distances were determined from buildup curves
!PhIP H2' and H6' protons are degenerate, wide bounds of +/-30% were given
!PhIP H3' and H5' protons are degenerate, wide bounds of +/-30% were given
!Wide bounds of +/-30% were given for the PhIP N-methyl protons

!PhIP-DNA Proton Distances
 assign (resid   23 and  name HCM1 )(resid    6 and  name H1'  ) 4.03 1.21 1.21
 assign (resid   23 and  name HCM2 )(resid    6 and  name H1'  ) 4.03 1.21 1.21
 assign (resid   23 and  name HCM3 )(resid    6 and  name H1'  ) 4.03 1.21 1.21
 assign (resid   23 and  name HCM1 )(resid    6 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM2 )(resid    6 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM3 )(resid    6 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM1 )(resid    7 and  name H1'  ) 3.68 1.10 1.10
 assign (resid   23 and  name HCM2 )(resid    7 and  name H1'  ) 3.68 1.10 1.10
 assign (resid   23 and  name HCM3 )(resid    7 and  name H1'  ) 3.68 1.10 1.10
 assign (resid   23 and  name HCM1 )(resid    7 and  name H2'  ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM2 )(resid    7 and  name H2'  ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM3 )(resid    7 and  name H2'  ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM1 )(resid    7 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM2 )(resid    7 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM3 )(resid    7 and  name H2'' ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM1 )(resid    7 and  name H3'  ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM2 )(resid    7 and  name H3'  ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM3 )(resid    7 and  name H3'  ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM1 )(resid    7 and  name H5   ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM2 )(resid    7 and  name H5   ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM3 )(resid    7 and  name H5   ) 4.00 1.20 1.20
 assign (resid   23 and  name HCM1 )(resid    7 and  name H6   ) 4.61 1.38 1.38
 assign (resid   23 and  name HCM2 )(resid    7 and  name H6   ) 4.61 1.38 1.38
 assign (resid   23 and  name HCM3 )(resid    7 and  name H6   ) 4.61 1.38 1.38
 assign (resid   23 and  name HCM1 )(resid   18 and  name H1   ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM2 )(resid   18 and  name H1   ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM3 )(resid   18 and  name H1   ) 5.00 1.50 1.50
 assign (resid   23 and  name HCM1 )(resid   16 and  name H1   ) 4.50 1.35 1.35
 assign (resid   23 and  name HCM2 )(resid   16 and  name H1   ) 4.50 1.35 1.35
 assign (resid   23 and  name HCM3 )(resid   16 and  name H1   ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   18 and  name H5'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   18 and  name H5'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   18 and  name H5'' ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   18 and  name H5'' ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   18 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   18 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   18 and  name H4'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   18 and  name H4'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   17 and  name H4'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   17 and  name H4'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H2'  )(resid   16 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H6'  )(resid   16 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H3'  )(resid   16 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H5'  )(resid   16 and  name H1'  ) 4.50 1.35 1.35
 assign (resid   23 and  name H4'  )(resid   16 and  name H1'  ) 4.75 0.95 0.95
 assign (resid   23 and  name H7   )(resid   18 and  name H1'  ) 3.89 0.78 0.78
 assign (resid   23 and  name H5   )(resid   16 and  name H1'  ) 4.25 0.85 0.85
 assign (resid   23 and  name H5   )(resid    5 and  name HN42 ) 4.50 1.35 1.35
 assign (resid   23 and  name H5   )(resid    7 and  name HN42 ) 4.50 1.35 1.35
 assign (resid   23 and  name H5   )(resid   16 and  name HN1  ) 4.50 1.35 1.35
 assign (resid   23 and  name H5   )(resid   18 and  name HN1  ) 4.50 1.35 1.35

!PhIP-PhIP distances
 assign (resid   23 and  name H7   )(resid   23 and  name HCM1 ) 3.42 0.68 0.68
 assign (resid   23 and  name H7   )(resid   23 and  name HCM2 ) 3.42 0.68 0.68
 assign (resid   23 and  name H7   )(resid   23 and  name HCM3 ) 3.42 0.68 0.68

!DNA intraresidue base(H6/H8) to sugar H1' 
 assign (resid    1 and  name H6   )(resid    1 and  name H1'  ) 3.40 0.68 0.68
 assign (resid    2 and  name H6   )(resid    2 and  name H1'  ) 3.40 0.68 0.68
 assign (resid    3 and  name H8   )(resid    3 and  name H1'  ) 3.70 0.74 0.74
 assign (resid    4 and  name H6   )(resid    4 and  name H1'  ) 3.59 0.72 0.72
 assign (resid    5 and  name H6   )(resid    5 and  name H1'  ) 3.45 0.69 0.69
 assign (resid    7 and  name H6   )(resid    7 and  name H1'  ) 3.54 0.71 0.71
 assign (resid    8 and  name H6   )(resid    8 and  name H1'  ) 3.44 0.69 0.69
 assign (resid    9 and  name H8   )(resid    9 and  name H1'  ) 3.54 0.70 0.70
 assign (resid   10 and  name H6   )(resid   10 and  name H1'  ) 3.50 0.83 0.83
 assign (resid   11 and  name H6   )(resid   11 and  name H1'  ) 3.34 0.66 0.66
 assign (resid   12 and  name H8   )(resid   12 and  name H1'  ) 3.29 0.66 0.66
 assign (resid   13 and  name H8   )(resid   13 and  name H1'  ) 3.64 0.73 0.73
 assign (resid   14 and  name H6   )(resid   14 and  name H1'  ) 3.52 0.70 0.70
 assign (resid   15 and  name H8   )(resid   15 and  name H1'  ) 3.68 0.74 0.74
 assign (resid   16 and  name H8   )(resid   16 and  name H1'  ) 3.71 0.74 0.74
 assign (resid   17 and  name H6   )(resid   17 and  name H1'  ) 3.83 0.77 0.77
 assign (resid   18 and  name H8   )(resid   18 and  name H1'  ) 3.19 0.64 0.64
 assign (resid   19 and  name H8   )(resid   19 and  name H1'  ) 3.57 0.71 0.71
 assign (resid   20 and  name H6   )(resid   20 and  name H1'  ) 3.58 0.72 0.72
 assign (resid   22 and  name H8   )(resid   21 and  name H1'  ) 3.67 0.73 0.73

!DNA sequential base(H6/H8) to 5'(H1')
 assign (resid    2 and  name H6   )(resid    1 and  name H1'  ) 3.42 0.68 0.68
 assign (resid    3 and  name H8   )(resid    2 and  name H1'  ) 3.60 0.72 0.72 
 assign (resid    4 and  name H6   )(resid    3 and  name H1'  ) 3.48 0.70 0.70
 assign (resid    5 and  name H6   )(resid    4 and  name H1'  ) 3.12 0.62 0.62        
 assign (resid    7 and  name H6   )(resid    5 and  name H1'  ) 3.23 0.65 0.65
 assign (resid    8 and  name H6   )(resid    7 and  name H1'  ) 3.64 0.73 0.73
 assign (resid    9 and  name H8   )(resid    8 and  name H1'  ) 3.74 0.75 0.75
 assign (resid   10 and  name H6   )(resid    9 and  name H1'  ) 3.37 0.67 0.67
 assign (resid   11 and  name H6   )(resid   10 and  name H1'  ) 3.25 0.65 0.65
 assign (resid   13 and  name H8   )(resid   12 and  name H1'  ) 3.22 0.65 0.65
 assign (resid   14 and  name H6   )(resid   13 and  name H1'  ) 3.39 0.67 0.67
 assign (resid   16 and  name H8   )(resid   15 and  name H1'  ) 3.79 0.76 0.76
 assign (resid   19 and  name H8   )(resid   18 and  name H1'  ) 3.57 0.71 0.71
 assign (resid   20 and  name H6   )(resid   19 and  name H1'  ) 3.57 0.71 0.71
 assign (resid   21 and  name H8   )(resid   20 and  name H1'  ) 3.44 0.69 0.69

!DNA intraresidue base(H6/H8) to sugar (H3')
 assign (resid    1 and  name H6   )(resid    1 and  name H3'  ) 3.42 0.68 0.68
 assign (resid    2 and  name H6   )(resid    2 and  name H3'  ) 3.23 0.65 0.65
 assign (resid    3 and  name H8   )(resid    3 and  name H3'  ) 3.53 0.71 0.71
 assign (resid    4 and  name H6   )(resid    4 and  name H3'  ) 3.34 0.67 0.67
 assign (resid    5 and  name H6   )(resid    5 and  name H3'  ) 3.71 0.74 0.74
 assign (resid    7 and  name H6   )(resid    7 and  name H3'  ) 3.39 0.68 0.68
 assign (resid    9 and  name H8   )(resid    9 and  name H3'  ) 3.47 0.69 0.69
 assign (resid   11 and  name H6   )(resid   11 and  name H3'  ) 3.04 0.61 0.61
 assign (resid   12 and  name H8   )(resid   12 and  name H3'  ) 3.95 0.79 0.79
 assign (resid   13 and  name H8   )(resid   13 and  name H3'  ) 3.47 0.69 0.69
 assign (resid   14 and  name H6   )(resid   14 and  name H3'  ) 3.29 0.66 0.66
 assign (resid   15 and  name H8   )(resid   15 and  name H3'  ) 3.55 0.71 0.71
 assign (resid   16 and  name H8   )(resid   16 and  name H3'  ) 3.57 0.71 0.71
 assign (resid   19 and  name H8   )(resid   19 and  name H3'  ) 3.61 0.72 0.72
 assign (resid   20 and  name H6   )(resid   20 and  name H3'  ) 3.55 0.71 0.71
 assign (resid   21 and  name H8   )(resid   21 and  name H3'  ) 3.21 0.64 0.64
 assign (resid   22 and  name H8   )(resid   22 and  name H3'  ) 3.58 0.72 0.72

!DNA sequential base(H6/H8) to 5'sugar (H3')
 assign (resid    2 and  name H6   )(resid    1 and  name H3'  ) 3.67 0.73 0.73
 assign (resid    3 and  name H8   )(resid    2 and  name H3'  ) 4.22 0.84 0.84
 assign (resid    4 and  name H6   )(resid    3 and  name H3'  ) 4.03 0.81 0.81
 assign (resid   10 and  name H6   )(resid    9 and  name H3'  ) 3.44 0.69 0.69
 assign (resid   14 and  name H6   )(resid   13 and  name H3'  ) 3.85 0.77 0.77
 assign (resid   20 and  name H6   )(resid   19 and  name H3'  ) 3.87 0.77 0.77

!DNA intraresidue base(H6/H8) to sugar (H2')
 assign (resid    1 and  name H6   )(resid    1 and  name H2'  ) 2.69 0.54 0.54
 assign (resid    3 and  name H8   )(resid    3 and  name H2'  ) 2.67 0.53 0.53
 assign (resid    4 and  name H6   )(resid    4 and  name H2'  ) 2.66 0.53 0.53
 assign (resid    5 and  name H6   )(resid    5 and  name H2'  ) 2.77 0.55 0.55
 assign (resid    7 and  name H6   )(resid    7 and  name H2'  ) 2.61 0.52 0.52
 assign (resid    8 and  name H6   )(resid    8 and  name H2'  ) 3.06 0.61 0.61
 assign (resid    9 and  name H8   )(resid    9 and  name H2'  ) 2.58 0.52 0.52
 assign (resid   10 and  name H6   )(resid   10 and  name H2'  ) 2.64 0.61 0.61
 assign (resid   12 and  name H8   )(resid   12 and  name H2'  ) 2.66 0.52 0.52
 assign (resid   14 and  name H6   )(resid   14 and  name H2'  ) 2.55 0.53 0.53
 assign (resid   15 and  name H8   )(resid   15 and  name H2'  ) 2.67 0.53 0.53
 assign (resid   16 and  name H8   )(resid   16 and  name H2'  ) 2.79 0.56 0.56
 assign (resid   17 and  name H6   )(resid   17 and  name H2'  ) 2.96 0.59 0.59
 assign (resid   18 and  name H8   )(resid   18 and  name H2'  ) 2.71 0.53 0.53
 assign (resid   19 and  name H8   )(resid   19 and  name H2'  ) 3.04 0.59 0.59
 assign (resid   20 and  name H6   )(resid   20 and  name H2'  ) 2.65 0.53 0.53
 assign (resid   22 and  name H8   )(resid   22 and  name H2'  ) 3.52 0.70 0.70

!DNA sequential base(H6/H8) to 5'sugar (H2')
 assign (resid    3 and  name H8   )(resid    2 and  name H2'  ) 3.57 0.71 0.71
 assign (resid    4 and  name H6   )(resid    3 and  name H2'  ) 3.09 0.62 0.62
 assign (resid    5 and  name H6   )(resid    4 and  name H2'  ) 3.08 0.62 0.62
 assign (resid    9 and  name H8   )(resid    8 and  name H2'  ) 3.52 0.70 0.70
 assign (resid   10 and  name H6   )(resid    9 and  name H2'  ) 3.17 0.63 0.63
 assign (resid   14 and  name H6   )(resid   13 and  name H2'  ) 3.09 0.62 0.62
 assign (resid   16 and  name H8   )(resid   15 and  name H2'  ) 3.33 0.67 0.67
 assign (resid   18 and  name H8   )(resid   17 and  name H2'  ) 3.04 0.61 0.61
 assign (resid   19 and  name H8   )(resid   18 and  name H2'  ) 3.36 0.67 0.67
 assign (resid   20 and  name H6   )(resid   19 and  name H2'  ) 3.18 0.64 0.64
 assign (resid   21 and  name H8   )(resid   20 and  name H2'  ) 3.40 0.68 0.68

!DNA intraresidue base(H6/H8) to sugar H2")
 assign (resid    1 and  name H6   )(resid    1 and  name H2'' ) 3.11 0.62 0.62
 assign (resid    3 and  name H8   )(resid    3 and  name H2'' ) 3.07 0.61 0.61
 assign (resid    4 and  name H6   )(resid    4 and  name H2'' ) 3.06 0.61 0.61
 assign (resid    5 and  name H6   )(resid    5 and  name H2'' ) 3.21 0.64 0.64
 assign (resid    7 and  name H6   )(resid    7 and  name H2'' ) 2.83 0.57 0.57
 assign (resid    9 and  name H8   )(resid    9 and  name H2'' ) 2.89 0.58 0.58
 assign (resid   10 and  name H6   )(resid   10 and  name H2'' ) 3.02 0.60 0.60
 assign (resid   12 and  name H8   )(resid   12 and  name H2'' ) 3.02 0.60 0.60
 assign (resid   13 and  name H8   )(resid   13 and  name H2'' ) 2.97 0.59 0.59
 assign (resid   14 and  name H6   )(resid   14 and  name H2'' ) 2.90 0.58 0.58
 assign (resid   15 and  name H8   )(resid   15 and  name H2'' ) 3.01 0.60 0.60
 assign (resid   16 and  name H8   )(resid   16 and  name H2'' ) 3.09 0.62 0.62
 assign (resid   17 and  name H6   )(resid   17 and  name H2'' ) 3.29 0.66 0.66
 assign (resid   18 and  name H8   )(resid   18 and  name H2'' ) 3.33 0.67 0.67
 assign (resid   19 and  name H8   )(resid   19 and  name H2'' ) 3.12 0.62 0.62
 assign (resid   20 and  name H6   )(resid   20 and  name H2'' ) 2.97 0.59 0.59
 assign (resid   22 and  name H8   )(resid   22 and  name H2'' ) 3.16 0.63 0.63

!DNA sequential base(H6/H8) to 5'sugar (H2")
 assign (resid    2 and  name H6   )(resid    1 and  name H2'' ) 2.99 0.60 0.60
 assign (resid    3 and  name H8   )(resid    2 and  name H2'' ) 3.25 0.65 0.65
 assign (resid    4 and  name H6   )(resid    3 and  name H2'' ) 2.97 0.59 0.59
 assign (resid    5 and  name H6   )(resid    4 and  name H2'' ) 2.88 0.58 0.58
 assign (resid    9 and  name H8   )(resid    8 and  name H2'' ) 3.16 0.63 0.09
 assign (resid   10 and  name H6   )(resid    9 and  name H2'' ) 2.95 0.59 0.04
 assign (resid   11 and  name H6   )(resid   10 and  name H2'' ) 2.94 0.59 0.02
 assign (resid   14 and  name H6   )(resid   13 and  name H2'' ) 2.92 0.58 0.03
 assign (resid   15 and  name H8   )(resid   14 and  name H2'' ) 3.38 0.68 0.09
 assign (resid   16 and  name H8   )(resid   15 and  name H2'' ) 3.20 0.64 0.14
 assign (resid   18 and  name H8   )(resid   17 and  name H2'' ) 3.39 0.68 0.15
 assign (resid   19 and  name H8   )(resid   18 and  name H2'' ) 2.94 0.59 0.06
 assign (resid   20 and  name H6   )(resid   19 and  name H2'' ) 2.94 0.59 0.06
 assign (resid   21 and  name H8   )(resid   20 and  name H2'' ) 3.23 0.65 0.20

!DNA sequential base(H6/H8) to base(H6/H8)     
 assign (resid    3 and  name H8   )(resid    4 and  name H6   ) 4.18 0.84 0.84
 assign (resid    9 and  name H8   )(resid   10 and  name H6   ) 4.18 0.84 0.84

!DNA intraresidue H1'-H3'
 assign (resid    1 and  name H1'  )(resid    1 and  name H3'  ) 3.68 0.74 0.74
 assign (resid    3 and  name H1'  )(resid    3 and  name H3'  ) 3.50 0.70 0.70
 assign (resid    6 and  name H1'  )(resid    6 and  name H3'  ) 3.53 0.71 0.71
 assign (resid    7 and  name H1'  )(resid    7 and  name H3'  ) 3.55 0.71 0.71
 assign (resid    8 and  name H1'  )(resid    8 and  name H3'  ) 3.58 0.72 0.72
 assign (resid    9 and  name H1'  )(resid    9 and  name H3'  ) 3.41 0.68 0.68
 assign (resid   11 and  name H1'  )(resid   11 and  name H3'  ) 3.65 0.73 0.73
 assign (resid   13 and  name H1'  )(resid   13 and  name H3'  ) 3.34 0.67 0.67
 assign (resid   14 and  name H1   )(resid   14 and  name H3'  ) 3.64 0.73 0.73
 assign (resid   15 and  name H1'  )(resid   15 and  name H3'  ) 3.39 0.68 0.68
 assign (resid   19 and  name H1'  )(resid   19 and  name H3'  ) 3.46 0.69 0.69
 assign (resid   21 and  name H1'  )(resid   21 and  name H3'  ) 3.35 0.67 0.67
 assign (resid   22 and  name H1'  )(resid   22 and  name H3'  ) 3.52 0.70 0.70

!DNA intraresidue H1'-H4'
 assign (resid    3 and  name H1'  )(resid    3 and  name H4'  ) 3.24 0.65 0.65
 assign (resid    6 and  name H1'  )(resid    6 and  name H4'  ) 2.93 0.59 0.59
 assign (resid    7 and  name H1'  )(resid    7 and  name H4'  ) 2.92 0.58 0.58
 assign (resid    9 and  name H1'  )(resid    9 and  name H4'  ) 3.15 0.63 0.63
 assign (resid   11 and  name H1'  )(resid   11 and  name H4'  ) 3.03 0.61 0.61
 assign (resid   19 and  name H1'  )(resid   19 and  name H4'  ) 3.29 0.66 0.66
 assign (resid   21 and  name H1'  )(resid   21 and  name H4'  ) 3.11 0.62 0.62
 assign (resid   22 and  name H1'  )(resid   22 and  name H4'  ) 2.78 0.56 0.56

!DNA intraresidue H1'-H2'
 assign (resid    1 and  name H1'  )(resid    1 and  name H2'  ) 2.84 0.57 0.57
 assign (resid    3 and  name H1'  )(resid    3 and  name H2'  ) 2.92 0.58 0.58
 assign (resid    4 and  name H1'  )(resid    4 and  name H2'  ) 2.88 0.58 0.58
 assign (resid    5 and  name H1'  )(resid    5 and  name H2'  ) 3.01 0.60 0.60
 assign (resid    6 and  name H1'  )(resid    6 and  name H2'  ) 3.01 0.60 0.60
 assign (resid    7 and  name H1'  )(resid    7 and  name H2'  ) 2.97 0.59 0.59
 assign (resid    8 and  name H1'  )(resid    8 and  name H2'  ) 2.91 0.58 0.58
 assign (resid    9 and  name H1'  )(resid    9 and  name H2'  ) 2.80 0.56 0.56
 assign (resid   10 and  name H1'  )(resid   10 and  name H2'  ) 2.73 0.55 0.55
 assign (resid   14 and  name H1'  )(resid   14 and  name H2'  ) 2.99 0.60 0.60
 assign (resid   16 and  name H1'  )(resid   16 and  name H2'  ) 2.92 0.58 0.58
 assign (resid   17 and  name H1'  )(resid   17 and  name H2'  ) 3.29 0.66 0.66
 assign (resid   18 and  name H1'  )(resid   18 and  name H2'  ) 3.02 0.60 0.60
 assign (resid   20 and  name H1'  )(resid   20 and  name H2'  ) 2.91 0.58 0.58

!DNA intraresidue H1'-H2"
 assign (resid    1 and  name H1'  )(resid    1 and  name H2'' ) 2.50 0.50 0.50
 assign (resid    2 and  name H1'  )(resid    2 and  name H2'' ) 2.46 0.49 0.49
 assign (resid    3 and  name H1'  )(resid    3 and  name H2'' ) 2.66 0.53 0.53
 assign (resid    4 and  name H1'  )(resid    4 and  name H2'' ) 2.56 0.51 0.51
 assign (resid    5 and  name H1'  )(resid    5 and  name H2'' ) 2.56 0.53 0.53
 assign (resid    6 and  name H1'  )(resid    6 and  name H2'' ) 2.73 0.55 0.55
 assign (resid    7 and  name H1'  )(resid    7 and  name H2'' ) 2.53 0.51 0.51
 assign (resid    8 and  name H1'  )(resid    8 and  name H2'' ) 2.61 0.52 0.52
 assign (resid    9 and  name H1'  )(resid    9 and  name H2'' ) 2.54 0.51 0.51
 assign (resid   10 and  name H1'  )(resid   10 and  name H2'' ) 2.51 0.50 0.50
 assign (resid   14 and  name H1'  )(resid   14 and  name H2'' ) 2.63 0.53 0.53
 assign (resid   16 and  name H1'  )(resid   16 and  name H2'' ) 2.70 0.54 0.54
 assign (resid   17 and  name H1'  )(resid   17 and  name H2'' ) 2.99 0.60 0.60
 assign (resid   18 and  name H1'  )(resid   18 and  name H2'' ) 2.71 0.54 0.54
 assign (resid   19 and  name H1'  )(resid   19 and  name H2'' ) 2.66 0.53 0.53

!DNA intraresidue H2'H2"
 assign (resid    1 and  name H2'  )(resid    1 and  name H2'' ) 2.21 0.44 0.44
 assign (resid    3 and  name H2'  )(resid    3 and  name H2'' ) 2.28 0.46 0.46
 assign (resid    5 and  name H2'  )(resid    5 and  name H2'' ) 2.42 0.48 0.48
 assign (resid    6 and  name H2'  )(resid    6 and  name H2'' ) 2.42 0.48 0.48
 assign (resid    7 and  name H2'  )(resid    7 and  name H2'' ) 2.23 0.45 0.45
 assign (resid    9 and  name H2'  )(resid    9 and  name H2'' ) 2.22 0.44 0.44
 assign (resid   10 and  name H2'  )(resid   10 and  name H2'' ) 2.25 0.45 0.45
 assign (resid   14 and  name H2'  )(resid   14 and  name H2'' ) 2.30 0.46 0.46
 assign (resid   16 and  name H2'  )(resid   16 and  name H2'' ) 2.12 0.42 0.42
 assign (resid   17 and  name H2'  )(resid   17 and  name H2'' ) 2.15 0.43 0.43
 assign (resid   18 and  name H2'  )(resid   18 and  name H2'' ) 2.16 0.43 0.43
 assign (resid   19 and  name H2'  )(resid   19 and  name H2'' ) 2.26 0.45 0.45
 assign (resid   20 and  name H2'  )(resid   20 and  name H2'' ) 2.26 0.45 0.45
 assign (resid   22 and  name H2'  )(resid   22 and  name H2'' ) 2.47 0.49 0.49

!DNA intraresidue H3'-H4'
 assign (resid   16 and  name H3'  )(resid   16 and  name H4'  ) 2.68 0.54 0.54
 assign (resid   17 and  name H3'  )(resid   17 and  name H4'  ) 3.25 0.65 0.65
 assign (resid   22 and  name H3'  )(resid   22 and  name H4'  ) 2.08 0.42 0.42

!DNA intraresidue H3'-H2'
 assign (resid    1 and  name H3'  )(resid    1 and  name H2'  ) 2.69 0.54 0.54
 assign (resid    5 and  name H3'  )(resid    5 and  name H2'  ) 2.94 0.59 0.59
 assign (resid    6 and  name H3'  )(resid    6 and  name H2'  ) 2.77 0.55 0.55
 assign (resid   16 and  name H3'  )(resid   16 and  name H2'  ) 2.64 0.53 0.53
 assign (resid   17 and  name H3'  )(resid   17 and  name H2'  ) 2.71 0.54 0.54
 assign (resid   20 and  name H3'  )(resid   20 and  name H2'  ) 2.72 0.54 0.54

!DNA intraresidue H3'-H2'
 assign (resid    3 and  name H3'  )(resid    3 and  name H2'' ) 2.85 0.57 0.57
 assign (resid    5 and  name H3'  )(resid    5 and  name H2'' ) 3.01 0.60 0.60
 assign (resid   16 and  name H3'  )(resid   16 and  name H2'' ) 2.75 0.55 0.55
 assign (resid   17 and  name H3'  )(resid   17 and  name H2'' ) 2.43 0.49 0.49
 assign (resid   20 and  name H3'  )(resid   20 and  name H2'' ) 2.88 0.58 0.58
 assign (resid   22 and  name H3'  )(resid   22 and  name H2'' ) 2.88 0.58 0.58

!adenine H2 to nearby protons
 assign (resid    3 and  name H2   )(resid    3 and  name H1'  ) 4.49 0.90 0.90
 assign (resid    3 and  name H2   )(resid    4 and  name H1'  ) 3.83 0.77 0.77
 assign (resid   19 and  name H2   )(resid   20 and  name H1'  ) 4.26 0.85 0.85
 assign (resid   19 and  name H2   )(resid   19 and  name H1'  ) 4.62 0.92 0.92
 assign (resid   19 and  name H2   )(resid    5 and  name H1'  ) 3.54 0.71 0.71

! sequential base(H6/H8) or sugar proton to cytosine H5
 assign (resid    1 and  name H6   )(resid    2 and  name H5   ) 3.89 0.78 0.78
 assign (resid    4 and  name H6   )(resid    5 and  name H5   ) 3.65 0.73 0.73
 assign (resid    9 and  name H8   )(resid   10 and  name H5   ) 3.77 0.75 0.75
 assign (resid    2 and  name H5   )(resid    1 and  name H2'  ) 3.26 0.65 0.65
 assign (resid    5 and  name H5   )(resid    5 and  name H2'  ) 3.74 0.75 0.75
 assign (resid    6 and  name H1'  )(resid    7 and  name H5   ) 3.12 0.62 0.62
 assign (resid    7 and  name H5   )(resid    6 and  name H2'  ) 3.47 0.69 0.69
 assign (resid    7 and  name H5   )(resid    6 and  name H2'' ) 3.02 0.60 0.60
 assign (resid   10 and  name H5   )(resid    9 and  name H2'  ) 3.41 0.68 0.68
 assign (resid   10 and  name H5   )(resid    9 and  name H2'' ) 3.37 0.67 0.67
 assign (resid   11 and  name H5   )(resid   10 and  name H2'  ) 3.32 0.66 0.66

! sequential 5'base(H6/H8) to thymine methyl 
 assign (resid    3 and  name H8   )(resid    4 and  name HCM1 ) 3.62 0.72 0.72
 assign (resid    3 and  name H8   )(resid    4 and  name HCM2 ) 3.62 0.72 0.72
 assign (resid    3 and  name H8   )(resid    4 and  name HCM3 ) 3.62 0.72 0.72
 assign (resid    7 and  name H6   )(resid    8 and  name HCM1 ) 3.64 0.73 0.73
 assign (resid    7 and  name H6   )(resid    8 and  name HCM2 ) 3.64 0.73 0.73
 assign (resid    7 and  name H6   )(resid    8 and  name HCM3 ) 3.64 0.73 0.73
 assign (resid   13 and  name H8   )(resid   14 and  name HCM1 ) 3.64 0.73 0.73
 assign (resid   13 and  name H8   )(resid   14 and  name HCM2 ) 3.64 0.73 0.73
 assign (resid   13 and  name H8   )(resid   14 and  name HCM3 ) 3.64 0.73 0.73
 assign (resid   19 and  name H8   )(resid   20 and  name HCM1 ) 3.66 0.73 0.73
 assign (resid   19 and  name H8   )(resid   20 and  name HCM2 ) 3.66 0.73 0.73
 assign (resid   19 and  name H8   )(resid   20 and  name HCM3 ) 3.66 0.73 0.73

! sequential 5'base(H6/H8) to thymine methyl
 assign (resid    3 and  name H1'  )(resid    4 and  name HCM1 ) 4.41 0.88 0.88
 assign (resid    3 and  name H1'  )(resid    4 and  name HCM2 ) 4.41 0.88 0.88
 assign (resid    3 and  name H1'  )(resid    4 and  name HCM3 ) 4.41 0.88 0.88
 assign (resid    7 and  name H1'  )(resid    8 and  name HCM1 ) 4.34 0.87 0.87
 assign (resid    7 and  name H1'  )(resid    8 and  name HCM2 ) 4.34 0.87 0.87
 assign (resid    7 and  name H1'  )(resid    8 and  name HCM3 ) 4.34 0.87 0.87
 assign (resid   13 and  name H1'  )(resid   14 and  name HCM1 ) 4.11 0.82 0.82
 assign (resid   13 and  name H1'  )(resid   14 and  name HCM2 ) 4.11 0.82 0.82
 assign (resid   13 and  name H1'  )(resid   14 and  name HCM3 ) 4.11 0.82 0.82
 assign (resid   19 and  name H1'  )(resid   20 and  name HCM1 ) 4.45 0.89 0.89
 assign (resid   19 and  name H1'  )(resid   20 and  name HCM2 ) 4.45 0.89 0.89
 assign (resid   19 and  name H1'  )(resid   20 and  name HCM3 ) 4.45 0.89 0.89
 assign (resid    3 and  name H2'  )(resid    4 and  name HCM1 ) 3.56 0.71 0.71
 assign (resid    3 and  name H2'  )(resid    4 and  name HCM2 ) 3.56 0.71 0.71
 assign (resid    3 and  name H2'  )(resid    4 and  name HCM3 ) 3.56 0.71 0.71
 assign (resid    3 and  name H2'' )(resid    4 and  name HCM1 ) 3.67 0.73 0.73
 assign (resid    3 and  name H2'' )(resid    4 and  name HCM2 ) 3.67 0.73 0.73
 assign (resid    3 and  name H2'' )(resid    4 and  name HCM3 ) 3.67 0.73 0.73
 assign (resid    7 and  name H2'  )(resid    8 and  name HCM1 ) 3.29 0.66 0.66
 assign (resid    7 and  name H2'  )(resid    8 and  name HCM2 ) 3.29 0.66 0.66
 assign (resid    7 and  name H2'  )(resid    8 and  name HCM3 ) 3.29 0.66 0.66
 assign (resid    7 and  name H2'' )(resid    8 and  name HCM1 ) 3.42 0.68 0.68
 assign (resid    7 and  name H2'' )(resid    8 and  name HCM2 ) 3.42 0.68 0.68
 assign (resid    7 and  name H2'' )(resid    8 and  name HCM3 ) 3.42 0.68 0.68
 assign (resid   13 and  name H2'  )(resid   14 and  name HCM1 ) 3.24 0.65 0.65
 assign (resid   13 and  name H2'  )(resid   14 and  name HCM2 ) 3.24 0.65 0.65
 assign (resid   13 and  name H2'  )(resid   14 and  name HCM3 ) 3.24 0.65 0.65
 assign (resid   13 and  name H2'' )(resid   14 and  name HCM1 ) 3.36 0.67 0.67
 assign (resid   13 and  name H2'' )(resid   14 and  name HCM2 ) 3.36 0.67 0.67
 assign (resid   13 and  name H2'' )(resid   14 and  name HCM3 ) 3.36 0.67 0.67
 assign (resid   19 and  name H2'  )(resid   20 and  name HCM1 ) 3.43 0.69 0.69
 assign (resid   19 and  name H2'  )(resid   20 and  name HCM2 ) 3.43 0.69 0.69
 assign (resid   19 and  name H2'  )(resid   20 and  name HCM3 ) 3.43 0.69 0.69
 assign (resid   19 and  name H2'' )(resid   20 and  name HCM1 ) 3.57 0.71 0.71
 assign (resid   19 and  name H2'' )(resid   20 and  name HCM2 ) 3.57 0.71 0.71
 assign (resid   19 and  name H2'' )(resid   20 and  name HCM3 ) 3.57 0.71 0.71
 assign (resid    3 and  name H3'  )(resid    4 and  name HCM1 ) 4.34 0.87 0.87
 assign (resid    3 and  name H3'  )(resid    4 and  name HCM2 ) 4.34 0.87 0.87
 assign (resid    3 and  name H3'  )(resid    4 and  name HCM3 ) 4.34 0.87 0.87
 assign (resid    7 and  name H3'  )(resid    8 and  name HCM1 ) 4.05 0.81 0.81
 assign (resid    7 and  name H3'  )(resid    8 and  name HCM2 ) 4.05 0.81 0.81
 assign (resid    7 and  name H3'  )(resid    8 and  name HCM3 ) 4.05 0.81 0.81
 assign (resid   13 and  name H3'  )(resid   14 and  name HCM1 ) 4.05 0.81 0.81
 assign (resid   13 and  name H3'  )(resid   14 and  name HCM2 ) 4.05 0.81 0.81
 assign (resid   13 and  name H3'  )(resid   14 and  name HCM3 ) 4.05 0.81 0.81
 assign (resid   19 and  name H3'  )(resid   20 and  name HCM1 ) 4.05 0.81 0.81
 assign (resid   19 and  name H3'  )(resid   20 and  name HCM2 ) 4.05 0.81 0.81
 assign (resid   19 and  name H3'  )(resid   20 and  name HCM3 ) 4.05 0.81 0.81
 assign (resid    5 and  name H5   )(resid    4 and  name HCM1 ) 4.47 0.89 0.89
 assign (resid    5 and  name H5   )(resid    4 and  name HCM2 ) 4.47 0.89 0.89
 assign (resid    5 and  name H5   )(resid    4 and  name HCM3 ) 4.47 0.89 0.89
 assign (resid    7 and  name H5   )(resid    8 and  name HCM1 ) 3.88 0.78 0.78
 assign (resid    7 and  name H5   )(resid    8 and  name HCM2 ) 3.88 0.78 0.78
 assign (resid    7 and  name H5   )(resid    8 and  name HCM3 ) 3.88 0.78 0.78
 assign (resid    4 and  name H2'  )(resid    4 and  name HCM1 ) 3.83 0.77 0.77
 assign (resid    4 and  name H2'  )(resid    4 and  name HCM2 ) 3.83 0.77 0.77
 assign (resid    4 and  name H2'  )(resid    4 and  name HCM3 ) 3.83 0.77 0.77
 assign (resid    8 and  name H2'  )(resid    8 and  name HCM1 ) 3.88 0.78 0.78
 assign (resid    8 and  name H2'  )(resid    8 and  name HCM2 ) 3.88 0.78 0.78
 assign (resid    8 and  name H2'  )(resid    8 and  name HCM3 ) 3.88 0.78 0.78
 assign (resid   14 and  name H2'  )(resid   14 and  name HCM1 ) 3.70 0.74 0.74
 assign (resid   14 and  name H2'  )(resid   14 and  name HCM2 ) 3.70 0.74 0.74
 assign (resid   14 and  name H2'  )(resid   14 and  name HCM3 ) 3.70 0.74 0.74
 
! Hydrogen bonds - the modified G6-C17 base pair is not H-bonded

! Hbond between C and G  
 assign (resid 1 and name N4) (resid 22 and name O6) 2.90 0.25 0.25
 assign (resid 1 and name N3) (resid 22 and name H1) 1.85 0.10 0.10
 assign (resid 1 and name O2) (resid 22 and name N2) 2.90 0.25 0.25

! Hbond between C and G  
 assign (resid 2 and name N4) (resid 21 and name O6) 2.90 0.25 0.25
 assign (resid 2 and name N3) (resid 21 and name H1) 1.85 0.10 0.10
 assign (resid 2 and name O2) (resid 21 and name N2) 2.90 0.25 0.25

! Hbond between A and T
 assign (resid 3 and name N6) (resid 20 and name O4)  2.90 0.25 0.25
 assign (resid 3 and name N1) (resid 20 and name H3)  1.85 0.10 0.10

! Hbond between T and A
 assign (resid 4 and name O4) (resid 19 and name N6)  2.90 0.25 0.25
 assign (resid 4 and name H3) (resid 19 and name N1)  1.85 0.10 0.10

! Hbond between C and G  
 assign (resid 5 and name N4) (resid 18 and name O6) 2.90 0.25 0.25
 assign (resid 5 and name N3) (resid 18 and name H1) 1.85 0.10 0.10
 assign (resid 5 and name O2) (resid 18 and name N2) 2.90 0.25 0.25

! Hbond between C and G  
 assign (resid 7 and name N4) (resid 16 and name O6) 2.90 0.25 0.25
 assign (resid 7 and name N3) (resid 16 and name H1) 1.85 0.10 0.10
 assign (resid 7 and name O2) (resid 16 and name N2) 2.90 0.25 0.25

! Hbond between T and A
 assign (resid 8 and name O4) (resid 15 and name N6)  2.90 0.25 0.25
 assign (resid 8 and name H3) (resid 15 and name N1)  1.85 0.10 0.10

! Hbond between A and T
 assign (resid 9 and name N6) (resid 14 and name O4)  2.90 0.25 0.25
 assign (resid 9 and name N1) (resid 14 and name H3)  1.85 0.10 0.10

! Hbond between C and G  
 assign (resid 10 and name N4) (resid 13 and name O6) 2.90 0.25 0.25
 assign (resid 10 and name N3) (resid 13 and name H1) 1.85 0.10 0.10
 assign (resid 10 and name O2) (resid 13 and name N2) 2.90 0.25 0.25

! Hbond between C and G  
 assign (resid 11 and name N4) (resid 12 and name O6) 2.90 0.25 0.25
 assign (resid 11 and name N3) (resid 12 and name H1) 1.85 0.10 0.10
 assign (resid 11 and name O2) (resid 12 and name N2) 2.90 0.25 0.25



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5'      CYT   1  -9.036  14.712  -6.551
    2   2H5*    C   1          2H5'      CYT   1 -10.025  13.276  -6.883
    3    H4*    C   1           H4'      CYT   1  -8.130  13.290  -8.343
    4    H3*    C   1           H3'      CYT   1  -8.741  11.095  -6.929
    5    H1*    C   1           H1'      CYT   1  -5.114  12.346  -7.335
    6   1H4     C   1          1H4       CYT   1  -1.908  14.110  -2.143
    7   2H4     C   1          2H4       CYT   1  -3.379  14.129  -1.133
    8    H5     C   1           H5       CYT   1  -5.551  13.563  -2.126
    9    H6     C   1           H6       CYT   1  -6.700  12.920  -4.093
   10    H5T    C   1           H5'      CYT   1  -9.857  12.890  -4.756
   11   2H2*    C   1          1H2'      CYT   1  -6.115  10.323  -6.505
   12   1H2*    C   1          2H2'      CYT   1  -6.985  11.156  -5.231
   13   1H5*    C   2          1H5'      CYT   2  -4.913  11.485  -9.373
   14   2H5*    C   2          2H5'      CYT   2  -5.374  10.538 -10.801
   15    H4*    C   2           H4'      CYT   2  -3.113  10.533 -11.017
   16    H3*    C   2           H3'      CYT   2  -3.988   8.108 -10.466
   17    H1*    C   2           H1'      CYT   2  -0.948   9.528  -8.528
   18   1H4     C   2          1H4       CYT   2  -1.600  10.784  -2.337
   19   2H4     C   2          2H4       CYT   2  -3.373  10.598  -2.396
   20    H5     C   2           H5       CYT   2  -4.476  10.057  -4.521
   21    H6     C   2           H6       CYT   2  -4.180   9.620  -6.827
   22   2H2*    C   2          1H2'      CYT   2  -2.047   7.400  -8.638
   23   1H2*    C   2          2H2'      CYT   2  -3.566   8.039  -8.039
   24   1H5*    A   3          1H5'      ADE   3   0.520   8.866 -10.071
   25   2H5*    A   3          2H5'      ADE   3   1.201   8.023 -11.475
   26    H4*    A   3           H4'      ADE   3   2.981   7.946 -10.077
   27    H3*    A   3           H3'      ADE   3   1.903   5.518 -10.345
   28    H1*    A   3           H1'      ADE   3   3.026   6.873  -6.909
   29    H8     A   3           H8       ADE   3  -0.810   6.687  -7.232
   30   1H6     A   3          1H6       ADE   3  -1.006   8.167  -1.264
   31   2H6     A   3          2H6       ADE   3  -1.982   7.743  -2.696
   32    H2     A   3           H2       ADE   3   3.244   8.099  -2.686
   33   2H2*    A   3          1H2'      ADE   3   2.323   4.725  -7.725
   34   1H2*    A   3          2H2'      ADE   3   0.739   5.311  -8.199
   35   1H5*    T   4          1H5'      THY   4   5.656   6.354  -7.841
   36   2H5*    T   4          2H5'      THY   4   6.982   5.273  -8.310
   37    H4*    T   4           H4'      THY   4   7.379   5.885  -6.078
   38    H3*    T   4           H3'      THY   4   7.058   3.231  -6.650
   39   1H2*    T   4          2H2'      THY   4   5.047   2.755  -5.395
   40   2H2*    T   4          1H2'      THY   4   6.173   2.720  -4.048
   41    H1*    T   4           H1'      THY   4   5.761   5.011  -3.465
   42    H3     T   4           H3       THY   4   1.603   5.122  -1.729
   43   1H5M    T   4          1H5M      THY   4   1.178   3.409  -6.816
   44   2H5M    T   4          2H5M      THY   4   0.235   2.559  -5.569
   45   3H5M    T   4          3H5M      THY   4  -0.169   4.238  -6.000
   46    H6     T   4           H6       THY   4   3.291   3.856  -5.893
   47   1H5*    C   5          1H5'      CYT   5   8.487   4.413  -2.291
   48   2H5*    C   5          2H5'      CYT   5   9.752   3.300  -1.738
   49    H4*    C   5           H4'      CYT   5   8.349   3.619   0.102
   50    H3*    C   5           H3'      CYT   5   7.836   0.998  -1.241
   51    H1*    C   5           H1'      CYT   5   5.606   3.614   0.887
   52   1H4     C   5          1H4       CYT   5  -0.033   1.870  -1.461
   53   2H4     C   5          2H4       CYT   5   0.692   1.354  -3.007
   54    H5     C   5           H5       CYT   5   3.126   1.444  -3.306
   55    H6     C   5           H6       CYT   5   5.205   1.984  -2.312
   56   2H2*    C   5          1H2'      CYT   5   6.762   1.738   1.529
   57   1H2*    C   5          2H2'      CYT   5   5.925   0.783   0.278
   58   1H5*   +G   6          1H5'      MOD   6   8.525   0.630   3.248
   59   2H5*   +G   6          2H5'      MOD   6   9.022  -1.027   3.638
   60    H4*   +G   6           H4'      MOD   6   6.926  -0.196   4.749
   61    H3*   +G   6           H3'      MOD   6   7.430  -2.745   3.738
   62    H1*   +G   6           H1'      MOD   6   4.093  -0.735   3.705
   63    H1    +G   6           H1       MOD   6   5.544  -2.244  -2.949
   64   1H2    +G   6          1H2       MOD   6   7.452  -3.050  -2.315
   65   2H2    +G   6          2H2       MOD   6   7.946  -3.037  -0.601
   66   1H2*   +G   6          1H2'      MOD   6   4.621  -3.068   3.674
   67   2H2*   +G   6          2H2'      MOD   6   5.591  -2.931   2.212
   68   1H5*    C   7          1H5'      CYT   7   3.729  -1.756   6.876
   69   2H5*    C   7          2H5'      CYT   7   4.265  -2.908   8.113
   70    H4*    C   7           H4'      CYT   7   1.968  -2.783   8.402
   71    H3*    C   7           H3'      CYT   7   2.893  -5.200   7.822
   72    H1*    C   7           H1'      CYT   7  -0.264  -3.829   6.061
   73   1H4     C   7          1H4       CYT   7  -0.040  -2.748  -0.193
   74   2H4     C   7          2H4       CYT   7   1.740  -2.864  -0.239
   75    H5     C   7           H5       CYT   7   2.990  -3.305   1.826
   76    H6     C   7           H6       CYT   7   2.852  -3.695   4.156
   77   2H2*    C   7          1H2'      CYT   7   0.843  -5.958   6.131
   78   1H2*    C   7          2H2'      CYT   7   2.323  -5.326   5.433
   79   1H5*    T   8          1H5'      THY   8  -1.732  -5.307   7.535
   80   2H5*    T   8          2H5'      THY   8  -2.366  -6.750   8.351
   81    H4*    T   8           H4'      THY   8  -3.384  -6.728   6.249
   82    H3*    T   8           H3'      THY   8  -1.175  -8.704   6.438
   83   1H2*    T   8          2H2'      THY   8  -1.193  -8.863   4.023
   84   2H2*    T   8          1H2'      THY   8  -2.971  -8.757   4.008
   85    H1*    T   8           H1'      THY   8  -2.909  -6.498   3.535
   86    H3     T   8           H3       THY   8  -0.297  -5.742  -0.058
   87   1H5M    T   8          1H5M      THY   8   2.926  -6.952   4.086
   88   2H5M    T   8          2H5M      THY   8   3.339  -7.594   2.479
   89   3H5M    T   8          3H5M      THY   8   3.459  -5.847   2.797
   90    H6     T   8           H6       THY   8   0.595  -7.063   4.330
   91   1H5*    A   9          1H5'      ADE   9  -5.367  -9.192   4.913
   92   2H5*    A   9          2H5'      ADE   9  -6.084 -10.781   5.243
   93    H4*    A   9           H4'      ADE   9  -6.840  -9.942   3.117
   94    H3*    A   9           H3'      ADE   9  -5.984 -12.451   3.388
   95    H1*    A   9           H1'      ADE   9  -4.901 -10.269   0.393
   96    H8     A   9           H8       ADE   9  -2.049 -10.759   2.944
   97   1H6     A   9          1H6       ADE   9   1.633  -8.177  -1.254
   98   2H6     A   9          2H6       ADE   9   1.562  -8.919   0.367
   99    H2     A   9           H2       ADE   9  -2.580  -8.292  -2.777
  100   2H2*    A   9          1H2'      ADE   9  -4.685 -12.596   0.951
  101   1H2*    A   9          2H2'      ADE   9  -3.750 -12.268   2.397
  102   1H5*    C  10          1H5'      CYT  10  -7.727 -10.843  -0.734
  103   2H5*    C  10          2H5'      CYT  10  -8.923 -12.045  -1.254
  104    H4*    C  10           H4'      CYT  10  -8.102 -11.002  -3.200
  105    H3*    C  10           H3'      CYT  10  -7.907 -13.686  -3.001
  106    H1*    C  10           H1'      CYT  10  -5.122 -11.457  -4.478
  107   1H4     C  10          1H4       CYT  10   0.573 -11.498  -1.665
  108   2H4     C  10          2H4       CYT  10  -0.053 -12.319  -0.210
  109    H5     C  10           H5       CYT  10  -2.432 -12.908  -0.067
  110    H6     C  10           H6       CYT  10  -4.532 -12.862  -1.156
  111   2H2*    C  10          1H2'      CYT  10  -5.561 -13.821  -4.483
  112   1H2*    C  10          2H2'      CYT  10  -5.500 -13.938  -2.734
  113   1H5*    C  11          1H5'      CYT  11  -6.753 -11.427  -7.130
  114   2H5*    C  11          2H5'      CYT  11  -7.550 -12.380  -8.396
  115    H4*    C  11           H4'      CYT  11  -5.541 -11.453  -9.280
  116    H3*    C  11           H3'      CYT  11  -6.013 -14.123  -9.446
  117    H1*    C  11           H1'      CYT  11  -2.559 -12.552  -8.705
  118   1H4     C  11          1H4       CYT  11   0.333 -14.167  -3.287
  119   2H4     C  11          2H4       CYT  11  -1.160 -14.855  -2.591
  120    H5     C  11           H5       CYT  11  -3.240 -14.830  -3.893
  121    H6     C  11           H6       CYT  11  -4.269 -14.211  -5.932
  122   2H2*    C  11          1H2'      CYT  11  -3.293 -14.731  -9.403
  123   1H2*    C  11          2H2'      CYT  11  -4.280 -14.968  -7.971
  124   1H5*    G  12          1H5'      GUA  12  10.189 -14.494  -4.985
  125   2H5*    G  12          2H5'      GUA  12  11.285 -13.100  -4.904
  126    H4*    G  12           H4'      GUA  12   9.990 -12.978  -6.911
  127    H3*    G  12           H3'      GUA  12  10.224 -10.849  -5.356
  128    H1*    G  12           H1'      GUA  12   6.766 -11.876  -6.752
  129    H8     G  12           H8       GUA  12   7.213 -12.953  -3.100
  130    H1     G  12           H1       GUA  12   1.264 -13.081  -5.373
  131   1H2     G  12          1H2       GUA  12   2.719 -11.961  -8.293
  132   2H2     G  12          2H2       GUA  12   1.228 -12.439  -7.439
  133    H5T    G  12           H5'      GUA  12   8.667 -13.252  -3.583
  134   2H2*    G  12          1H2'      GUA  12   7.608  -9.982  -5.544
  135   1H2*    G  12          2H2'      GUA  12   8.078 -10.946  -4.156
  136   1H5*    G  13          1H5'      GUA  13   7.154 -10.695  -8.962
  137   2H5*    G  13          2H5'      GUA  13   7.821  -9.397  -9.970
  138    H4*    G  13           H4'      GUA  13   5.546  -9.374 -10.424
  139    H3*    G  13           H3'      GUA  13   6.539  -7.123  -9.340
  140    H1*    G  13           H1'      GUA  13   3.139  -8.620  -8.296
  141    H8     G  13           H8       GUA  13   5.815  -8.947  -5.576
  142    H1     G  13           H1       GUA  13  -0.108 -10.595  -3.912
  143   1H2     G  13          1H2       GUA  13  -0.873  -9.853  -7.193
  144   2H2     G  13          2H2       GUA  13  -1.451 -10.404  -5.598
  145   2H2*    G  13          1H2'      GUA  13   4.238  -6.513  -7.919
  146   1H2*    G  13          2H2'      GUA  13   5.597  -7.255  -7.095
  147   1H5*    T  14          1H5'      THY  14   2.016  -7.017 -10.841
  148   2H5*    T  14          2H5'      THY  14   1.577  -5.434 -11.511
  149    H4*    T  14           H4'      THY  14  -0.213  -6.295 -10.144
  150    H3*    T  14           H3'      THY  14   1.153  -3.823  -9.338
  151   1H2*    T  14          2H2'      THY  14   0.531  -4.128  -7.074
  152   2H2*    T  14          1H2'      THY  14  -1.149  -4.461  -7.605
  153    H1*    T  14           H1'      THY  14  -0.830  -6.783  -7.509
  154    H3     T  14           H3       THY  14   0.124  -7.648  -3.181
  155   1H5M    T  14          1H5M      THY  14   4.272  -5.692  -3.505
  156   2H5M    T  14          2H5M      THY  14   4.752  -6.826  -4.790
  157   3H5M    T  14          3H5M      THY  14   4.384  -5.131  -5.190
  158    H6     T  14           H6       THY  14   2.539  -5.725  -6.684
  159   1H5*    A  15          1H5'      ADE  15  -3.371  -4.560  -9.428
  160   2H5*    A  15          2H5'      ADE  15  -4.319  -3.109  -9.806
  161    H4*    A  15           H4'      ADE  15  -5.408  -4.497  -8.128
  162    H3*    A  15           H3'      ADE  15  -5.305  -1.846  -7.946
  163    H1*    A  15           H1'      ADE  15  -4.513  -4.079  -4.894
  164    H8     A  15           H8       ADE  15  -1.375  -2.358  -6.316
  165   1H6     A  15          1H6       ADE  15   1.659  -4.770  -1.539
  166   2H6     A  15          2H6       ADE  15   1.796  -3.721  -2.975
  167    H2     A  15           H2       ADE  15  -2.612  -6.127  -1.483
  168   2H2*    A  15          1H2'      ADE  15  -4.838  -1.722  -5.225
  169   1H2*    A  15          2H2'      ADE  15  -3.480  -1.586  -6.326
  170   1H5*    G  16          1H5'      GUA  16  -8.841  -4.130  -4.913
  171   2H5*    G  16          2H5'      GUA  16  -9.903  -2.721  -4.722
  172    H4*    G  16           H4'      GUA  16 -10.011  -3.823  -2.678
  173    H3*    G  16           H3'      GUA  16  -8.192  -1.484  -2.551
  174    H1*    G  16           H1'      GUA  16  -7.372  -4.767  -0.619
  175    H8     G  16           H8       GUA  16  -6.047  -2.941  -3.567
  176    H1     G  16           H1       GUA  16  -2.011  -3.134   1.357
  177   1H2     G  16          1H2       GUA  16  -4.733  -4.341   3.101
  178   2H2     G  16          2H2       GUA  16  -3.011  -3.876   3.128
  179   2H2*    G  16          1H2'      GUA  16  -9.031  -3.167  -0.083
  180   1H2*    G  16          2H2'      GUA  16  -7.677  -2.052  -0.175
  181   1H5*    C  17          1H5'      CYT  17 -10.271  -0.677   0.329
  182   2H5*    C  17          2H5'      CYT  17 -10.994   0.902   0.693
  183    H4*    C  17           H4'      CYT  17  -8.892   0.262   1.957
  184    H3*    C  17           H3'      CYT  17  -9.740   2.722   1.337
  185    H1*    C  17           H1'      CYT  17  -6.091   1.610   0.752
  186   1H4     C  17          1H4       CYT  17  -4.684   0.571  -5.487
  187   2H4     C  17          2H4       CYT  17  -4.870   2.335  -5.678
  188    H5     C  17           H5       CYT  17  -5.758   3.679  -3.827
  189    H6     C  17           H6       CYT  17  -6.583   3.660  -1.609
  190   2H2*    C  17          1H2'      CYT  17  -7.241   3.722   0.690
  191   1H2*    C  17          2H2'      CYT  17  -8.321   3.211  -0.594
  192   1H5*    G  18          1H5'      GUA  18  -7.494   2.129   5.874
  193   2H5*    G  18          2H5'      GUA  18  -7.774   3.752   6.534
  194    H4*    G  18           H4'      GUA  18  -5.689   2.749   7.333
  195    H3*    G  18           H3'      GUA  18  -5.920   5.316   6.626
  196    H1*    G  18           H1'      GUA  18  -2.916   3.161   5.519
  197    H8     G  18           H8       GUA  18  -5.531   3.021   2.767
  198    H1     G  18           H1       GUA  18   0.529   2.768   0.821
  199   1H2     G  18          1H2       GUA  18   1.263   3.340   4.143
  200   2H2     G  18          2H2       GUA  18   1.874   3.066   2.489
  201   2H2*    G  18          1H2'      GUA  18  -3.425   5.509   5.442
  202   1H2*    G  18          2H2'      GUA  18  -4.838   5.273   4.431
  203   1H5*    A  19          1H5'      ADE  19  -1.311   4.193   7.282
  204   2H5*    A  19          2H5'      ADE  19  -1.045   5.062   8.805
  205    H4*    A  19           H4'      ADE  19   0.961   5.379   7.786
  206    H3*    A  19           H3'      ADE  19  -0.456   7.660   7.903
  207    H1*    A  19           H1'      ADE  19   1.561   6.614   4.784
  208    H8     A  19           H8       ADE  19  -2.247   6.472   4.203
  209   1H6     A  19          1H6       ADE  19  -0.922   5.333  -1.695
  210   2H6     A  19          2H6       ADE  19  -2.237   5.593  -0.518
  211    H2     A  19           H2       ADE  19   2.859   5.659   0.687
  212   2H2*    A  19          1H2'      ADE  19   0.494   8.648   5.491
  213   1H2*    A  19          2H2'      ADE  19  -1.095   7.910   5.561
  214   1H5*    T  20          1H5'      THY  20   3.875   7.409   6.213
  215   2H5*    T  20          2H5'      THY  20   4.861   8.615   7.062
  216    H4*    T  20           H4'      THY  20   5.877   8.289   4.973
  217    H3*    T  20           H3'      THY  20   4.995  10.799   5.588
  218   1H2*    T  20          2H2'      THY  20   3.277  11.082   3.909
  219   2H2*    T  20          1H2'      THY  20   4.662  11.421   2.886
  220    H1*    T  20           H1'      THY  20   4.799   9.160   2.086
  221    H3     T  20           H3       THY  20   1.244   8.502  -0.607
  222   1H5M    T  20          1H5M      THY  20  -1.789   9.343   2.672
  223   2H5M    T  20          2H5M      THY  20  -0.845   9.218   4.176
  224   3H5M    T  20          3H5M      THY  20  -1.004  10.788   3.352
  225    H6     T  20           H6       THY  20   1.672   9.764   3.867
  226   1H5*    G  21          1H5'      GUA  21   7.514   9.776   1.777
  227   2H5*    G  21          2H5'      GUA  21   8.930  10.845   1.807
  228    H4*    G  21           H4'      GUA  21   8.534  10.389  -0.450
  229    H3*    G  21           H3'      GUA  21   8.414  12.982   0.323
  230    H1*    G  21           H1'      GUA  21   6.010  11.375  -2.240
  231    H8     G  21           H8       GUA  21   4.310  12.159   1.105
  232    H1     G  21           H1       GUA  21   0.451  10.731  -3.757
  233   1H2     G  21          1H2       GUA  21   3.385  10.389  -5.540
  234   2H2     G  21          2H2       GUA  21   1.603  10.315  -5.542
  235   2H2*    G  21          1H2'      GUA  21   6.548  13.639  -1.634
  236   1H2*    G  21          2H2'      GUA  21   6.042  13.421   0.031
  237   1H5*    G  22          1H5'      GUA  22   7.800  11.638  -4.123
  238   2H5*    G  22          2H5'      GUA  22   9.044  12.496  -5.051
  239    H4*    G  22           H4'      GUA  22   7.281  12.140  -6.541
  240    H3*    G  22           H3'      GUA  22   7.961  14.728  -6.009
  241    H1*    G  22           H1'      GUA  22   4.350  13.437  -6.517
  242    H8     G  22           H8       GUA  22   5.087  14.522  -2.916
  243    H1     G  22           H1       GUA  22  -1.035  13.534  -4.371
  244   1H2     G  22          1H2       GUA  22   0.189  12.744  -7.499
  245   2H2     G  22          2H2       GUA  22  -1.234  12.919  -6.437
  246   2H2*    G  22          1H2'      GUA  22   5.374  15.609  -6.578
  247   1H2*    G  22          2H2'      GUA  22   5.942  15.498  -4.921
  248    HN1  PIQ  23           HN       PIP  23   2.438   0.651   3.113
  249    H7   PIQ  23           H7       PIP  23  -2.701  -0.577   4.509
  250    H2'  PIQ  23           H2'      PIP  23  -4.735   0.102   5.147
  251    H3'  PIQ  23           H3'      PIP  23  -6.991  -0.235   6.117
  252    H4'  PIQ  23           H4'      PIP  23  -8.810  -1.261   4.751
  253    H5'  PIQ  23           H5'      PIP  23  -8.338  -1.952   2.401
  254    H6'  PIQ  23           H6'      PIP  23  -6.084  -1.615   1.424
  255   1HM   PIQ  23          1HM       PIP  23  -0.566  -0.502   5.329
  256   2HM   PIQ  23          2HM       PIP  23   1.042  -1.049   4.795
  257   3HM   PIQ  23          3HM       PIP  23   0.717   0.688   5.005
  258    H5   PIQ  23           H5       PIP  23  -4.456  -0.390   0.557
  Start of MODEL    2
    1   1H5*    C   1          1H5'      CYT   1  -8.962  12.837  -6.824
    2   2H5*    C   1          2H5'      CYT   1  -8.875  14.296  -7.829
    3    H4*    C   1           H4'      CYT   1  -7.572  13.062  -9.494
    4    H3*    C   1           H3'      CYT   1  -8.408  10.738  -8.291
    5    H1*    C   1           H1'      CYT   1  -4.802  12.163  -8.252
    6   1H4     C   1          1H4       CYT   1  -2.150  13.166  -2.570
    7   2H4     C   1          2H4       CYT   1  -3.680  12.864  -1.704
    8    H5     C   1           H5       CYT   1  -5.714  12.327  -2.968
    9    H6     C   1           H6       CYT   1  -6.659  11.990  -5.112
   10    H5T    C   1           H5'      CYT   1  -9.789  12.773  -9.617
   11   2H2*    C   1          1H2'      CYT   1  -5.738   9.985  -7.894
   12   1H2*    C   1          2H2'      CYT   1  -6.744  10.526  -6.560
   13   1H5*    C   2          1H5'      CYT   2  -4.439  11.076 -10.910
   14   2H5*    C   2          2H5'      CYT   2  -4.706   9.850 -12.164
   15    H4*    C   2           H4'      CYT   2  -2.391   9.995 -11.935
   16    H3*    C   2           H3'      CYT   2  -3.485   7.597 -11.452
   17    H1*    C   2           H1'      CYT   2  -0.672   9.061  -9.254
   18   1H4     C   2          1H4       CYT   2  -1.895  10.272  -3.141
   19   2H4     C   2          2H4       CYT   2  -3.641   9.964  -3.339
   20    H5     C   2           H5       CYT   2  -4.533   9.361  -5.543
   21    H6     C   2           H6       CYT   2  -4.028   8.957  -7.820
   22   2H2*    C   2          1H2'      CYT   2  -1.695   6.897  -9.456
   23   1H2*    C   2          2H2'      CYT   2  -3.284   7.494  -9.019
   24   1H5*    A   3          1H5'      ADE   3   1.165   8.238 -10.811
   25   2H5*    A   3          2H5'      ADE   3   1.853   7.143 -12.026
   26    H4*    A   3           H4'      ADE   3   3.488   7.171 -10.420
   27    H3*    A   3           H3'      ADE   3   2.235   4.781 -10.639
   28    H1*    A   3           H1'      ADE   3   3.290   6.361  -7.276
   29    H8     A   3           H8       ADE   3  -0.538   6.321  -7.759
   30   1H6     A   3          1H6       ADE   3  -0.913   7.908  -1.827
   31   2H6     A   3          2H6       ADE   3  -1.848   7.522  -3.296
   32    H2     A   3           H2       ADE   3   3.384   7.555  -3.050
   33   2H2*    A   3          1H2'      ADE   3   2.603   4.159  -7.954
   34   1H2*    A   3          2H2'      ADE   3   1.039   4.713  -8.525
   35   1H5*    T   4          1H5'      THY   4   5.947   5.546  -7.916
   36   2H5*    T   4          2H5'      THY   4   7.168   4.327  -8.327
   37    H4*    T   4           H4'      THY   4   7.566   4.948  -6.096
   38    H3*    T   4           H3'      THY   4   6.907   2.315  -6.628
   39   1H2*    T   4          2H2'      THY   4   4.954   2.089  -5.241
   40   2H2*    T   4          1H2'      THY   4   6.128   2.058  -3.934
   41    H1*    T   4           H1'      THY   4   5.918   4.406  -3.506
   42    H3     T   4           H3       THY   4   1.844   4.867  -1.633
   43   1H5M    T   4          1H5M      THY   4   1.060   3.426  -6.739
   44   2H5M    T   4          2H5M      THY   4   0.285   2.351  -5.551
   45   3H5M    T   4          3H5M      THY   4  -0.238   4.046  -5.691
   46    H6     T   4           H6       THY   4   3.282   3.437  -5.838
   47   1H5*    C   5          1H5'      CYT   5   8.648   3.391  -2.316
   48   2H5*    C   5          2H5'      CYT   5   9.793   2.121  -1.843
   49    H4*    C   5           H4'      CYT   5   8.556   2.557   0.080
   50    H3*    C   5           H3'      CYT   5   7.549   0.091  -1.286
   51    H1*    C   5           H1'      CYT   5   5.807   2.921   0.991
   52   1H4     C   5          1H4       CYT   5  -0.019   1.809  -1.285
   53   2H4     C   5          2H4       CYT   5   0.625   1.202  -2.834
   54    H5     C   5           H5       CYT   5   3.050   1.018  -3.162
   55    H6     C   5           H6       CYT   5   5.189   1.334  -2.199
   56   2H2*    C   5          1H2'      CYT   5   6.864   0.958   1.573
   57   1H2*    C   5          2H2'      CYT   5   5.802   0.078   0.430
   58   1H5*   +G   6          1H5'      MOD   6   8.772  -0.795   3.048
   59   2H5*   +G   6          2H5'      MOD   6   8.915  -2.550   3.266
   60    H4*   +G   6           H4'      MOD   6   7.139  -1.305   4.611
   61    H3*   +G   6           H3'      MOD   6   7.136  -3.886   3.734
   62    H1*   +G   6           H1'      MOD   6   4.099  -1.493   3.591
   63    H1    +G   6           H1       MOD   6   5.420  -3.078  -3.066
   64   1H2    +G   6          1H2       MOD   6   7.144  -4.213  -2.416
   65   2H2    +G   6          2H2       MOD   6   7.603  -4.308  -0.695
   66   1H2*   +G   6          1H2'      MOD   6   4.361  -3.875   3.438
   67   2H2*   +G   6          2H2'      MOD   6   5.413  -3.771   2.036
   68   1H5*    C   7          1H5'      CYT   7   3.404  -2.516   6.833
   69   2H5*    C   7          2H5'      CYT   7   4.049  -3.575   8.102
   70    H4*    C   7           H4'      CYT   7   1.827  -3.649   8.580
   71    H3*    C   7           H3'      CYT   7   2.665  -5.998   7.763
   72    H1*    C   7           H1'      CYT   7  -0.575  -4.526   6.213
   73   1H4     C   7          1H4       CYT   7  -0.471  -2.782   0.106
   74   2H4     C   7          2H4       CYT   7   1.312  -2.767   0.049
   75    H5     C   7           H5       CYT   7   2.604  -3.345   2.054
   76    H6     C   7           H6       CYT   7   2.511  -3.999   4.326
   77   2H2*    C   7          1H2'      CYT   7   0.590  -6.609   6.053
   78   1H2*    C   7          2H2'      CYT   7   2.031  -5.870   5.378
   79   1H5*    T   8          1H5'      THY   8  -1.972  -6.307   7.689
   80   2H5*    T   8          2H5'      THY   8  -2.474  -7.843   8.421
   81    H4*    T   8           H4'      THY   8  -3.561  -7.783   6.366
   82    H3*    T   8           H3'      THY   8  -1.220  -9.572   6.393
   83   1H2*    T   8          2H2'      THY   8  -1.039  -9.439   4.023
   84   2H2*    T   8          1H2'      THY   8  -2.806  -9.684   3.884
   85    H1*    T   8           H1'      THY   8  -3.208  -7.393   3.670
   86    H3     T   8           H3       THY   8  -0.972  -5.738   0.134
   87   1H5M    T   8          1H5M      THY   8   2.678  -7.265   3.789
   88   2H5M    T   8          2H5M      THY   8   3.014  -7.573   2.068
   89   3H5M    T   8          3H5M      THY   8   2.999  -5.905   2.688
   90    H6     T   8           H6       THY   8   0.395  -7.625   4.179
   91   1H5*    A   9          1H5'      ADE   9  -5.347 -10.295   4.684
   92   2H5*    A   9          2H5'      ADE   9  -5.912 -11.969   4.853
   93    H4*    A   9           H4'      ADE   9  -6.697 -11.029   2.781
   94    H3*    A   9           H3'      ADE   9  -5.565 -13.448   2.865
   95    H1*    A   9           H1'      ADE   9  -4.712 -10.893   0.101
   96    H8     A   9           H8       ADE   9  -1.806 -11.404   2.580
   97   1H6     A   9          1H6       ADE   9   1.542  -7.901  -1.211
   98   2H6     A   9          2H6       ADE   9   1.568  -8.866   0.290
   99    H2     A   9           H2       ADE   9  -2.659  -8.229  -2.738
  100   2H2*    A   9          1H2'      ADE   9  -4.252 -13.228   0.438
  101   1H2*    A   9          2H2'      ADE   9  -3.364 -12.944   1.922
  102   1H5*    C  10          1H5'      CYT  10  -7.495 -11.732  -1.091
  103   2H5*    C  10          2H5'      CYT  10  -8.618 -12.980  -1.664
  104    H4*    C  10           H4'      CYT  10  -7.976 -11.794  -3.568
  105    H3*    C  10           H3'      CYT  10  -7.453 -14.424  -3.556
  106    H1*    C  10           H1'      CYT  10  -4.937 -11.824  -4.897
  107   1H4     C  10          1H4       CYT  10   0.703 -11.303  -2.026
  108   2H4     C  10          2H4       CYT  10   0.162 -12.227  -0.599
  109    H5     C  10           H5       CYT  10  -2.133 -13.088  -0.499
  110    H6     C  10           H6       CYT  10  -4.216 -13.252  -1.610
  111   2H2*    C  10          1H2'      CYT  10  -5.093 -14.221  -4.992
  112   1H2*    C  10          2H2'      CYT  10  -5.031 -14.396  -3.249
  113   1H5*    C  11          1H5'      CYT  11  -6.445 -11.864  -7.544
  114   2H5*    C  11          2H5'      CYT  11  -7.092 -12.832  -8.883
  115    H4*    C  11           H4'      CYT  11  -5.132 -11.709  -9.635
  116    H3*    C  11           H3'      CYT  11  -5.317 -14.453  -9.804
  117    H1*    C  11           H1'      CYT  11  -2.127 -12.391  -9.011
  118   1H4     C  11          1H4       CYT  11   0.982 -13.882  -3.680
  119   2H4     C  11          2H4       CYT  11  -0.405 -14.791  -3.021
  120    H5     C  11           H5       CYT  11  -2.474 -14.979  -4.325
  121    H6     C  11           H6       CYT  11  -3.584 -14.409  -6.336
  122   2H2*    C  11          1H2'      CYT  11  -2.513 -14.599  -9.856
  123   1H2*    C  11          2H2'      CYT  11  -3.435 -15.088  -8.442
  124   1H5*    G  12          1H5'      GUA  12   9.853 -11.318  -4.073
  125   2H5*    G  12          2H5'      GUA  12  10.591 -12.474  -5.198
  126    H4*    G  12           H4'      GUA  12  10.369 -10.834  -7.006
  127    H3*    G  12           H3'      GUA  12  10.185  -8.810  -5.367
  128    H1*    G  12           H1'      GUA  12   6.889 -10.206  -6.911
  129    H8     G  12           H8       GUA  12   7.576 -11.568  -3.395
  130    H1     G  12           H1       GUA  12   1.736 -12.590  -5.726
  131   1H2     G  12          1H2       GUA  12   2.929 -10.939  -8.510
  132   2H2     G  12          2H2       GUA  12   1.561 -11.768  -7.720
  133    H5T    G  12           H5'      GUA  12  11.828 -10.488  -3.796
  134   2H2*    G  12          1H2'      GUA  12   7.466  -8.363  -5.510
  135   1H2*    G  12          2H2'      GUA  12   8.066  -9.395  -4.222
  136   1H5*    G  13          1H5'      GUA  13   7.187  -8.974  -8.928
  137   2H5*    G  13          2H5'      GUA  13   7.687  -7.592  -9.924
  138    H4*    G  13           H4'      GUA  13   5.472  -7.845 -10.486
  139    H3*    G  13           H3'      GUA  13   6.005  -5.538  -9.243
  140    H1*    G  13           H1'      GUA  13   2.875  -7.633  -8.404
  141    H8     G  13           H8       GUA  13   5.528  -7.771  -5.645
  142    H1     G  13           H1       GUA  13  -0.120 -10.364  -4.254
  143   1H2     G  13          1H2       GUA  13  -0.937  -9.489  -7.490
  144   2H2     G  13          2H2       GUA  13  -1.453 -10.238  -5.955
  145   2H2*    G  13          1H2'      GUA  13   3.619  -5.415  -7.847
  146   1H2*    G  13          2H2'      GUA  13   5.060  -5.993  -7.033
  147   1H5*    T  14          1H5'      THY  14   1.572  -6.044 -10.622
  148   2H5*    T  14          2H5'      THY  14   0.880  -4.573 -11.332
  149    H4*    T  14           H4'      THY  14  -0.755  -5.457  -9.891
  150    H3*    T  14           H3'      THY  14   0.593  -3.026  -8.890
  151   1H2*    T  14          2H2'      THY  14  -0.115  -3.542  -6.661
  152   2H2*    T  14          1H2'      THY  14  -1.736  -3.975  -7.274
  153    H1*    T  14           H1'      THY  14  -1.224  -6.243  -7.299
  154    H3     T  14           H3       THY  14   0.012  -7.440  -3.135
  155   1H5M    T  14          1H5M      THY  14   3.830  -4.874  -3.325
  156   2H5M    T  14          2H5M      THY  14   4.431  -5.825  -4.704
  157   3H5M    T  14          3H5M      THY  14   3.826  -4.171  -4.960
  158    H6     T  14           H6       THY  14   2.030  -4.857  -6.460
  159   1H5*    A  15          1H5'      ADE  15  -3.921  -3.827  -9.086
  160   2H5*    A  15          2H5'      ADE  15  -4.854  -2.352  -9.403
  161    H4*    A  15           H4'      ADE  15  -6.035  -3.825  -7.890
  162    H3*    A  15           H3'      ADE  15  -5.898  -1.216  -7.462
  163    H1*    A  15           H1'      ADE  15  -5.218  -3.706  -4.583
  164    H8     A  15           H8       ADE  15  -2.014  -1.961  -5.812
  165   1H6     A  15          1H6       ADE  15   0.881  -4.844  -1.214
  166   2H6     A  15          2H6       ADE  15   1.068  -3.683  -2.555
  167    H2     A  15           H2       ADE  15  -3.422  -6.090  -1.333
  168   2H2*    A  15          1H2'      ADE  15  -5.475  -1.324  -4.735
  169   1H2*    A  15          2H2'      ADE  15  -4.090  -1.139  -5.795
  170   1H5*    G  16          1H5'      GUA  16  -9.458  -3.564  -4.314
  171   2H5*    G  16          2H5'      GUA  16 -10.454  -2.099  -4.220
  172    H4*    G  16           H4'      GUA  16 -10.579  -2.995  -2.092
  173    H3*    G  16           H3'      GUA  16  -8.578  -0.804  -2.183
  174    H1*    G  16           H1'      GUA  16  -7.993  -3.986  -0.008
  175    H8     G  16           H8       GUA  16  -6.623  -2.118  -2.985
  176    H1     G  16           H1       GUA  16  -2.378  -3.382   1.593
  177   1H2     G  16          1H2       GUA  16  -5.130  -4.451   3.378
  178   2H2     G  16          2H2       GUA  16  -3.364  -4.204   3.336
  179   2H2*    G  16          1H2'      GUA  16  -9.503  -2.217   0.421
  180   1H2*    G  16          2H2'      GUA  16  -8.065  -1.227   0.225
  181   1H5*    C  17          1H5'      CYT  17 -10.567   0.184   0.752
  182   2H5*    C  17          2H5'      CYT  17 -11.127   1.820   1.147
  183    H4*    C  17           H4'      CYT  17  -9.106   0.884   2.400
  184    H3*    C  17           H3'      CYT  17  -9.751   3.455   1.902
  185    H1*    C  17           H1'      CYT  17  -6.201   2.024   1.404
  186   1H4     C  17          1H4       CYT  17  -4.589   1.421  -4.848
  187   2H4     C  17          2H4       CYT  17  -4.530   3.204  -4.853
  188    H5     C  17           H5       CYT  17  -5.338   4.459  -2.906
  189    H6     C  17           H6       CYT  17  -6.286   4.324  -0.741
  190   2H2*    C  17          1H2'      CYT  17  -7.119   4.244   1.494
  191   1H2*    C  17          2H2'      CYT  17  -8.173   3.973   0.119
  192   1H5*    G  18          1H5'      GUA  18  -7.228   2.740   6.389
  193   2H5*    G  18          2H5'      GUA  18  -7.412   4.366   7.073
  194    H4*    G  18           H4'      GUA  18  -5.220   3.430   7.553
  195    H3*    G  18           H3'      GUA  18  -5.599   5.961   6.545
  196    H1*    G  18           H1'      GUA  18  -2.723   3.528   5.625
  197    H8     G  18           H8       GUA  18  -5.349   3.505   2.884
  198    H1     G  18           H1       GUA  18   0.659   2.673   0.939
  199   1H2     G  18          1H2       GUA  18   1.455   3.319   4.234
  200   2H2     G  18          2H2       GUA  18   2.033   2.930   2.591
  201   2H2*    G  18          1H2'      GUA  18  -3.011   5.904   5.468
  202   1H2*    G  18          2H2'      GUA  18  -4.434   5.764   4.446
  203   1H5*    A  19          1H5'      ADE  19  -1.074   4.869   7.643
  204   2H5*    A  19          2H5'      ADE  19  -0.798   5.989   8.991
  205    H4*    A  19           H4'      ADE  19   1.250   5.929   7.941
  206    H3*    A  19           H3'      ADE  19   0.007   8.326   7.818
  207    H1*    A  19           H1'      ADE  19   1.983   6.782   4.880
  208    H8     A  19           H8       ADE  19  -1.803   7.004   4.193
  209   1H6     A  19          1H6       ADE  19  -0.486   5.164  -1.528
  210   2H6     A  19          2H6       ADE  19  -1.790   5.678  -0.424
  211    H2     A  19           H2       ADE  19   3.255   5.302   0.935
  212   2H2*    A  19          1H2'      ADE  19   1.135   8.979   5.360
  213   1H2*    A  19          2H2'      ADE  19  -0.529   8.429   5.447
  214   1H5*    T  20          1H5'      THY  20   4.286   7.760   6.259
  215   2H5*    T  20          2H5'      THY  20   5.434   9.064   6.621
  216    H4*    T  20           H4'      THY  20   5.881   8.231   4.430
  217    H3*    T  20           H3'      THY  20   4.865  10.968   4.681
  218   1H2*    T  20          2H2'      THY  20   3.942  10.931   2.513
  219   2H2*    T  20          1H2'      THY  20   5.512  10.317   1.891
  220    H1*    T  20           H1'      THY  20   4.767   8.085   1.913
  221    H3     T  20           H3       THY  20   1.383   8.117  -1.088
  222   1H5M    T  20          1H5M      THY  20  -1.647   9.476   2.025
  223   2H5M    T  20          2H5M      THY  20  -0.761   9.399   3.566
  224   3H5M    T  20          3H5M      THY  20  -0.731  10.891   2.596
  225    H6     T  20           H6       THY  20   1.788   9.556   3.334
  226   1H5*    G  21          1H5'      GUA  21   7.710   9.903   1.455
  227   2H5*    G  21          2H5'      GUA  21   8.983  11.112   1.198
  228    H4*    G  21           H4'      GUA  21   8.160  10.536  -0.928
  229    H3*    G  21           H3'      GUA  21   7.561  13.201   0.031
  230    H1*    G  21           H1'      GUA  21   5.785  10.664  -2.447
  231    H8     G  21           H8       GUA  21   3.814  11.740   0.622
  232    H1     G  21           H1       GUA  21   0.361  10.203  -4.505
  233   1H2     G  21          1H2       GUA  21   3.427   9.911  -6.060
  234   2H2     G  21          2H2       GUA  21   1.652   9.798  -6.195
  235   2H2*    G  21          1H2'      GUA  21   6.336  12.975  -2.557
  236   1H2*    G  21          2H2'      GUA  21   5.492  13.332  -0.993
  237   1H5*    G  22          1H5'      GUA  22   7.583  12.521  -4.280
  238   2H5*    G  22          2H5'      GUA  22   8.908  13.426  -5.036
  239    H4*    G  22           H4'      GUA  22   7.313  13.703  -6.616
  240    H3*    G  22           H3'      GUA  22   7.673  15.994  -5.197
  241    H1*    G  22           H1'      GUA  22   4.243  14.665  -6.388
  242    H8     G  22           H8       GUA  22   4.678  14.583  -2.584
  243    H1     G  22           H1       GUA  22  -1.152  13.261  -4.783
  244   1H2     G  22          1H2       GUA  22   0.298  13.669  -7.887
  245   2H2     G  22          2H2       GUA  22  -1.173  13.303  -6.947
  246   2H2*    G  22          1H2'      GUA  22   5.031  16.791  -5.595
  247   1H2*    G  22          2H2'      GUA  22   5.541  16.139  -4.048
  248    HN1  PIQ  23           HN       PIP  23   2.765   0.316   2.943
  249    H7   PIQ  23           H7       PIP  23  -2.429  -0.482   4.508
  250    H2'  PIQ  23           H2'      PIP  23  -4.364   0.380   5.228
  251    H3'  PIQ  23           H3'      PIP  23  -6.614   0.246   6.262
  252    H4'  PIQ  23           H4'      PIP  23  -8.566  -0.556   4.931
  253    H5'  PIQ  23           H5'      PIP  23  -8.238  -1.223   2.550
  254    H6'  PIQ  23           H6'      PIP  23  -5.991  -1.090   1.511
  255   1HM   PIQ  23          1HM       PIP  23  -0.236  -0.853   5.221
  256   2HM   PIQ  23          2HM       PIP  23   1.408  -1.187   4.626
  257   3HM   PIQ  23          3HM       PIP  23   0.918   0.483   4.996
  258    H5   PIQ  23           H5       PIP  23  -4.275  -0.010   0.620
  Start of MODEL    3
    1   1H5*    C   1          1H5'      CYT   1  -8.962  12.837  -6.824
    2   2H5*    C   1          2H5'      CYT   1  -8.875  14.296  -7.829
    3    H4*    C   1           H4'      CYT   1  -7.572  13.062  -9.494
    4    H3*    C   1           H3'      CYT   1  -8.408  10.738  -8.291
    5    H1*    C   1           H1'      CYT   1  -4.802  12.163  -8.252
    6   1H4     C   1          1H4       CYT   1  -2.150  13.166  -2.570
    7   2H4     C   1          2H4       CYT   1  -3.680  12.864  -1.704
    8    H5     C   1           H5       CYT   1  -5.714  12.327  -2.968
    9    H6     C   1           H6       CYT   1  -6.659  11.990  -5.112
   10    H5T    C   1           H5'      CYT   1  -9.789  12.773  -9.617
   11   2H2*    C   1          1H2'      CYT   1  -5.738   9.985  -7.894
   12   1H2*    C   1          2H2'      CYT   1  -6.744  10.526  -6.560
   13   1H5*    C   2          1H5'      CYT   2  -4.439  11.076 -10.910
   14   2H5*    C   2          2H5'      CYT   2  -4.706   9.850 -12.164
   15    H4*    C   2           H4'      CYT   2  -2.391   9.995 -11.935
   16    H3*    C   2           H3'      CYT   2  -3.485   7.597 -11.452
   17    H1*    C   2           H1'      CYT   2  -0.672   9.061  -9.254
   18   1H4     C   2          1H4       CYT   2  -1.895  10.272  -3.141
   19   2H4     C   2          2H4       CYT   2  -3.641   9.964  -3.339
   20    H5     C   2           H5       CYT   2  -4.533   9.361  -5.543
   21    H6     C   2           H6       CYT   2  -4.028   8.957  -7.820
   22   2H2*    C   2          1H2'      CYT   2  -1.695   6.897  -9.456
   23   1H2*    C   2          2H2'      CYT   2  -3.284   7.494  -9.019
   24   1H5*    A   3          1H5'      ADE   3   1.165   8.238 -10.811
   25   2H5*    A   3          2H5'      ADE   3   1.853   7.143 -12.026
   26    H4*    A   3           H4'      ADE   3   3.488   7.171 -10.420
   27    H3*    A   3           H3'      ADE   3   2.235   4.781 -10.639
   28    H1*    A   3           H1'      ADE   3   3.290   6.361  -7.276
   29    H8     A   3           H8       ADE   3  -0.538   6.321  -7.759
   30   1H6     A   3          1H6       ADE   3  -0.913   7.908  -1.827
   31   2H6     A   3          2H6       ADE   3  -1.848   7.522  -3.296
   32    H2     A   3           H2       ADE   3   3.384   7.555  -3.050
   33   2H2*    A   3          1H2'      ADE   3   2.603   4.159  -7.954
   34   1H2*    A   3          2H2'      ADE   3   1.039   4.713  -8.525
   35   1H5*    T   4          1H5'      THY   4   5.947   5.546  -7.916
   36   2H5*    T   4          2H5'      THY   4   7.168   4.327  -8.327
   37    H4*    T   4           H4'      THY   4   7.566   4.948  -6.096
   38    H3*    T   4           H3'      THY   4   6.907   2.315  -6.628
   39   1H2*    T   4          2H2'      THY   4   4.954   2.089  -5.241
   40   2H2*    T   4          1H2'      THY   4   6.128   2.058  -3.934
   41    H1*    T   4           H1'      THY   4   5.918   4.406  -3.506
   42    H3     T   4           H3       THY   4   1.844   4.867  -1.633
   43   1H5M    T   4          1H5M      THY   4   1.060   3.426  -6.739
   44   2H5M    T   4          2H5M      THY   4   0.285   2.351  -5.551
   45   3H5M    T   4          3H5M      THY   4  -0.238   4.046  -5.691
   46    H6     T   4           H6       THY   4   3.282   3.437  -5.838
   47   1H5*    C   5          1H5'      CYT   5   8.648   3.391  -2.316
   48   2H5*    C   5          2H5'      CYT   5   9.793   2.121  -1.843
   49    H4*    C   5           H4'      CYT   5   8.556   2.557   0.080
   50    H3*    C   5           H3'      CYT   5   7.549   0.091  -1.286
   51    H1*    C   5           H1'      CYT   5   5.807   2.921   0.991
   52   1H4     C   5          1H4       CYT   5  -0.019   1.809  -1.285
   53   2H4     C   5          2H4       CYT   5   0.625   1.202  -2.834
   54    H5     C   5           H5       CYT   5   3.050   1.018  -3.162
   55    H6     C   5           H6       CYT   5   5.189   1.334  -2.199
   56   2H2*    C   5          1H2'      CYT   5   6.864   0.958   1.573
   57   1H2*    C   5          2H2'      CYT   5   5.802   0.078   0.430
   58   1H5*   +G   6          1H5'      MOD   6   8.772  -0.795   3.048
   59   2H5*   +G   6          2H5'      MOD   6   8.915  -2.550   3.266
   60    H4*   +G   6           H4'      MOD   6   7.139  -1.305   4.611
   61    H3*   +G   6           H3'      MOD   6   7.136  -3.886   3.734
   62    H1*   +G   6           H1'      MOD   6   4.099  -1.493   3.591
   63    H1    +G   6           H1       MOD   6   5.420  -3.078  -3.066
   64   1H2    +G   6          1H2       MOD   6   7.144  -4.213  -2.416
   65   2H2    +G   6          2H2       MOD   6   7.603  -4.308  -0.695
   66   1H2*   +G   6          1H2'      MOD   6   4.361  -3.875   3.438
   67   2H2*   +G   6          2H2'      MOD   6   5.413  -3.771   2.036
   68   1H5*    C   7          1H5'      CYT   7   3.404  -2.516   6.833
   69   2H5*    C   7          2H5'      CYT   7   4.049  -3.575   8.102
   70    H4*    C   7           H4'      CYT   7   1.827  -3.649   8.580
   71    H3*    C   7           H3'      CYT   7   2.665  -5.998   7.763
   72    H1*    C   7           H1'      CYT   7  -0.575  -4.526   6.213
   73   1H4     C   7          1H4       CYT   7  -0.471  -2.782   0.106
   74   2H4     C   7          2H4       CYT   7   1.312  -2.767   0.049
   75    H5     C   7           H5       CYT   7   2.604  -3.345   2.054
   76    H6     C   7           H6       CYT   7   2.511  -3.999   4.326
   77   2H2*    C   7          1H2'      CYT   7   0.590  -6.609   6.053
   78   1H2*    C   7          2H2'      CYT   7   2.031  -5.870   5.378
   79   1H5*    T   8          1H5'      THY   8  -1.972  -6.307   7.689
   80   2H5*    T   8          2H5'      THY   8  -2.474  -7.843   8.421
   81    H4*    T   8           H4'      THY   8  -3.561  -7.783   6.366
   82    H3*    T   8           H3'      THY   8  -1.220  -9.572   6.393
   83   1H2*    T   8          2H2'      THY   8  -1.039  -9.439   4.023
   84   2H2*    T   8          1H2'      THY   8  -2.806  -9.684   3.884
   85    H1*    T   8           H1'      THY   8  -3.208  -7.393   3.670
   86    H3     T   8           H3       THY   8  -0.972  -5.738   0.134
   87   1H5M    T   8          1H5M      THY   8   2.678  -7.265   3.789
   88   2H5M    T   8          2H5M      THY   8   3.014  -7.573   2.068
   89   3H5M    T   8          3H5M      THY   8   2.999  -5.905   2.688
   90    H6     T   8           H6       THY   8   0.395  -7.625   4.179
   91   1H5*    A   9          1H5'      ADE   9  -5.347 -10.295   4.684
   92   2H5*    A   9          2H5'      ADE   9  -5.912 -11.969   4.853
   93    H4*    A   9           H4'      ADE   9  -6.697 -11.029   2.781
   94    H3*    A   9           H3'      ADE   9  -5.565 -13.448   2.865
   95    H1*    A   9           H1'      ADE   9  -4.712 -10.893   0.101
   96    H8     A   9           H8       ADE   9  -1.806 -11.404   2.580
   97   1H6     A   9          1H6       ADE   9   1.542  -7.901  -1.211
   98   2H6     A   9          2H6       ADE   9   1.568  -8.866   0.290
   99    H2     A   9           H2       ADE   9  -2.659  -8.229  -2.738
  100   2H2*    A   9          1H2'      ADE   9  -4.252 -13.228   0.438
  101   1H2*    A   9          2H2'      ADE   9  -3.364 -12.944   1.922
  102   1H5*    C  10          1H5'      CYT  10  -7.495 -11.732  -1.091
  103   2H5*    C  10          2H5'      CYT  10  -8.618 -12.980  -1.664
  104    H4*    C  10           H4'      CYT  10  -7.976 -11.794  -3.568
  105    H3*    C  10           H3'      CYT  10  -7.453 -14.424  -3.556
  106    H1*    C  10           H1'      CYT  10  -4.937 -11.824  -4.897
  107   1H4     C  10          1H4       CYT  10   0.703 -11.303  -2.026
  108   2H4     C  10          2H4       CYT  10   0.162 -12.227  -0.599
  109    H5     C  10           H5       CYT  10  -2.133 -13.088  -0.499
  110    H6     C  10           H6       CYT  10  -4.216 -13.252  -1.610
  111   2H2*    C  10          1H2'      CYT  10  -5.093 -14.221  -4.992
  112   1H2*    C  10          2H2'      CYT  10  -5.031 -14.397  -3.249
  113   1H5*    C  11          1H5'      CYT  11  -6.445 -11.864  -7.544
  114   2H5*    C  11          2H5'      CYT  11  -7.092 -12.832  -8.883
  115    H4*    C  11           H4'      CYT  11  -5.132 -11.709  -9.635
  116    H3*    C  11           H3'      CYT  11  -5.317 -14.453  -9.804
  117    H1*    C  11           H1'      CYT  11  -2.127 -12.391  -9.011
  118   1H4     C  11          1H4       CYT  11   0.982 -13.882  -3.680
  119   2H4     C  11          2H4       CYT  11  -0.405 -14.791  -3.021
  120    H5     C  11           H5       CYT  11  -2.474 -14.979  -4.325
  121    H6     C  11           H6       CYT  11  -3.584 -14.409  -6.336
  122   2H2*    C  11          1H2'      CYT  11  -2.513 -14.599  -9.856
  123   1H2*    C  11          2H2'      CYT  11  -3.435 -15.088  -8.442
  124   1H5*    G  12          1H5'      GUA  12   9.853 -11.318  -4.073
  125   2H5*    G  12          2H5'      GUA  12  10.591 -12.474  -5.198
  126    H4*    G  12           H4'      GUA  12  10.369 -10.834  -7.006
  127    H3*    G  12           H3'      GUA  12  10.185  -8.810  -5.367
  128    H1*    G  12           H1'      GUA  12   6.889 -10.206  -6.911
  129    H8     G  12           H8       GUA  12   7.576 -11.568  -3.395
  130    H1     G  12           H1       GUA  12   1.736 -12.590  -5.726
  131   1H2     G  12          1H2       GUA  12   2.929 -10.939  -8.510
  132   2H2     G  12          2H2       GUA  12   1.561 -11.768  -7.720
  133    H5T    G  12           H5'      GUA  12  11.828 -10.488  -3.796
  134   2H2*    G  12          1H2'      GUA  12   7.466  -8.363  -5.510
  135   1H2*    G  12          2H2'      GUA  12   8.066  -9.395  -4.222
  136   1H5*    G  13          1H5'      GUA  13   7.187  -8.974  -8.928
  137   2H5*    G  13          2H5'      GUA  13   7.687  -7.592  -9.924
  138    H4*    G  13           H4'      GUA  13   5.472  -7.845 -10.486
  139    H3*    G  13           H3'      GUA  13   6.005  -5.538  -9.243
  140    H1*    G  13           H1'      GUA  13   2.875  -7.633  -8.404
  141    H8     G  13           H8       GUA  13   5.528  -7.771  -5.645
  142    H1     G  13           H1       GUA  13  -0.120 -10.364  -4.254
  143   1H2     G  13          1H2       GUA  13  -0.937  -9.489  -7.490
  144   2H2     G  13          2H2       GUA  13  -1.453 -10.238  -5.955
  145   2H2*    G  13          1H2'      GUA  13   3.619  -5.415  -7.847
  146   1H2*    G  13          2H2'      GUA  13   5.060  -5.993  -7.033
  147   1H5*    T  14          1H5'      THY  14   1.572  -6.044 -10.622
  148   2H5*    T  14          2H5'      THY  14   0.880  -4.573 -11.332
  149    H4*    T  14           H4'      THY  14  -0.755  -5.457  -9.891
  150    H3*    T  14           H3'      THY  14   0.593  -3.026  -8.890
  151   1H2*    T  14          2H2'      THY  14  -0.115  -3.542  -6.661
  152   2H2*    T  14          1H2'      THY  14  -1.736  -3.975  -7.274
  153    H1*    T  14           H1'      THY  14  -1.224  -6.243  -7.299
  154    H3     T  14           H3       THY  14   0.012  -7.440  -3.135
  155   1H5M    T  14          1H5M      THY  14   3.830  -4.874  -3.325
  156   2H5M    T  14          2H5M      THY  14   4.431  -5.825  -4.704
  157   3H5M    T  14          3H5M      THY  14   3.826  -4.171  -4.960
  158    H6     T  14           H6       THY  14   2.030  -4.857  -6.460
  159   1H5*    A  15          1H5'      ADE  15  -3.921  -3.827  -9.086
  160   2H5*    A  15          2H5'      ADE  15  -4.854  -2.352  -9.403
  161    H4*    A  15           H4'      ADE  15  -6.035  -3.825  -7.890
  162    H3*    A  15           H3'      ADE  15  -5.898  -1.216  -7.462
  163    H1*    A  15           H1'      ADE  15  -5.218  -3.706  -4.583
  164    H8     A  15           H8       ADE  15  -2.014  -1.961  -5.812
  165   1H6     A  15          1H6       ADE  15   0.881  -4.844  -1.214
  166   2H6     A  15          2H6       ADE  15   1.068  -3.683  -2.555
  167    H2     A  15           H2       ADE  15  -3.422  -6.090  -1.333
  168   2H2*    A  15          1H2'      ADE  15  -5.475  -1.324  -4.735
  169   1H2*    A  15          2H2'      ADE  15  -4.090  -1.139  -5.795
  170   1H5*    G  16          1H5'      GUA  16  -9.458  -3.564  -4.314
  171   2H5*    G  16          2H5'      GUA  16 -10.454  -2.099  -4.220
  172    H4*    G  16           H4'      GUA  16 -10.579  -2.995  -2.092
  173    H3*    G  16           H3'      GUA  16  -8.578  -0.804  -2.183
  174    H1*    G  16           H1'      GUA  16  -7.993  -3.986  -0.008
  175    H8     G  16           H8       GUA  16  -6.623  -2.118  -2.985
  176    H1     G  16           H1       GUA  16  -2.378  -3.382   1.593
  177   1H2     G  16          1H2       GUA  16  -5.130  -4.451   3.378
  178   2H2     G  16          2H2       GUA  16  -3.364  -4.204   3.336
  179   2H2*    G  16          1H2'      GUA  16  -9.503  -2.217   0.421
  180   1H2*    G  16          2H2'      GUA  16  -8.065  -1.227   0.225
  181   1H5*    C  17          1H5'      CYT  17 -10.567   0.184   0.752
  182   2H5*    C  17          2H5'      CYT  17 -11.127   1.820   1.147
  183    H4*    C  17           H4'      CYT  17  -9.106   0.884   2.400
  184    H3*    C  17           H3'      CYT  17  -9.751   3.455   1.902
  185    H1*    C  17           H1'      CYT  17  -6.201   2.024   1.404
  186   1H4     C  17          1H4       CYT  17  -4.589   1.421  -4.848
  187   2H4     C  17          2H4       CYT  17  -4.530   3.204  -4.853
  188    H5     C  17           H5       CYT  17  -5.338   4.459  -2.906
  189    H6     C  17           H6       CYT  17  -6.286   4.324  -0.741
  190   2H2*    C  17          1H2'      CYT  17  -7.119   4.244   1.494
  191   1H2*    C  17          2H2'      CYT  17  -8.173   3.973   0.119
  192   1H5*    G  18          1H5'      GUA  18  -7.228   2.740   6.389
  193   2H5*    G  18          2H5'      GUA  18  -7.412   4.366   7.073
  194    H4*    G  18           H4'      GUA  18  -5.220   3.430   7.553
  195    H3*    G  18           H3'      GUA  18  -5.599   5.961   6.545
  196    H1*    G  18           H1'      GUA  18  -2.723   3.528   5.625
  197    H8     G  18           H8       GUA  18  -5.349   3.505   2.884
  198    H1     G  18           H1       GUA  18   0.659   2.673   0.939
  199   1H2     G  18          1H2       GUA  18   1.455   3.319   4.234
  200   2H2     G  18          2H2       GUA  18   2.033   2.930   2.591
  201   2H2*    G  18          1H2'      GUA  18  -3.011   5.904   5.468
  202   1H2*    G  18          2H2'      GUA  18  -4.434   5.764   4.446
  203   1H5*    A  19          1H5'      ADE  19  -1.074   4.869   7.643
  204   2H5*    A  19          2H5'      ADE  19  -0.798   5.989   8.991
  205    H4*    A  19           H4'      ADE  19   1.250   5.929   7.941
  206    H3*    A  19           H3'      ADE  19   0.007   8.326   7.818
  207    H1*    A  19           H1'      ADE  19   1.983   6.782   4.880
  208    H8     A  19           H8       ADE  19  -1.803   7.004   4.193
  209   1H6     A  19          1H6       ADE  19  -0.486   5.164  -1.528
  210   2H6     A  19          2H6       ADE  19  -1.790   5.678  -0.424
  211    H2     A  19           H2       ADE  19   3.255   5.302   0.935
  212   2H2*    A  19          1H2'      ADE  19   1.135   8.979   5.360
  213   1H2*    A  19          2H2'      ADE  19  -0.529   8.429   5.447
  214   1H5*    T  20          1H5'      THY  20   4.286   7.760   6.259
  215   2H5*    T  20          2H5'      THY  20   5.434   9.064   6.621
  216    H4*    T  20           H4'      THY  20   5.881   8.231   4.430
  217    H3*    T  20           H3'      THY  20   4.865  10.968   4.681
  218   1H2*    T  20          2H2'      THY  20   3.942  10.931   2.513
  219   2H2*    T  20          1H2'      THY  20   5.512  10.317   1.891
  220    H1*    T  20           H1'      THY  20   4.767   8.085   1.913
  221    H3     T  20           H3       THY  20   1.383   8.117  -1.088
  222   1H5M    T  20          1H5M      THY  20  -1.647   9.476   2.025
  223   2H5M    T  20          2H5M      THY  20  -0.761   9.399   3.566
  224   3H5M    T  20          3H5M      THY  20  -0.731  10.891   2.596
  225    H6     T  20           H6       THY  20   1.788   9.556   3.334
  226   1H5*    G  21          1H5'      GUA  21   7.710   9.903   1.455
  227   2H5*    G  21          2H5'      GUA  21   8.983  11.112   1.198
  228    H4*    G  21           H4'      GUA  21   8.160  10.536  -0.928
  229    H3*    G  21           H3'      GUA  21   7.561  13.201   0.031
  230    H1*    G  21           H1'      GUA  21   5.785  10.664  -2.447
  231    H8     G  21           H8       GUA  21   3.814  11.740   0.622
  232    H1     G  21           H1       GUA  21   0.361  10.203  -4.505
  233   1H2     G  21          1H2       GUA  21   3.427   9.911  -6.060
  234   2H2     G  21          2H2       GUA  21   1.652   9.798  -6.195
  235   2H2*    G  21          1H2'      GUA  21   6.336  12.975  -2.557
  236   1H2*    G  21          2H2'      GUA  21   5.492  13.332  -0.993
  237   1H5*    G  22          1H5'      GUA  22   7.583  12.521  -4.280
  238   2H5*    G  22          2H5'      GUA  22   8.908  13.426  -5.036
  239    H4*    G  22           H4'      GUA  22   7.313  13.703  -6.616
  240    H3*    G  22           H3'      GUA  22   7.673  15.994  -5.197
  241    H1*    G  22           H1'      GUA  22   4.243  14.665  -6.388
  242    H8     G  22           H8       GUA  22   4.678  14.583  -2.584
  243    H1     G  22           H1       GUA  22  -1.152  13.261  -4.783
  244   1H2     G  22          1H2       GUA  22   0.298  13.669  -7.887
  245   2H2     G  22          2H2       GUA  22  -1.173  13.303  -6.947
  246   2H2*    G  22          1H2'      GUA  22   5.031  16.791  -5.595
  247   1H2*    G  22          2H2'      GUA  22   5.541  16.139  -4.048
  248    HN1  PIQ  23           HN       PIP  23   2.765   0.316   2.943
  249    H7   PIQ  23           H7       PIP  23  -2.429  -0.482   4.508
  250    H2'  PIQ  23           H2'      PIP  23  -4.364   0.380   5.228
  251    H3'  PIQ  23           H3'      PIP  23  -6.614   0.246   6.262
  252    H4'  PIQ  23           H4'      PIP  23  -8.566  -0.556   4.931
  253    H5'  PIQ  23           H5'      PIP  23  -8.238  -1.223   2.550
  254    H6'  PIQ  23           H6'      PIP  23  -5.991  -1.090   1.511
  255   1HM   PIQ  23          1HM       PIP  23  -0.236  -0.853   5.221
  256   2HM   PIQ  23          2HM       PIP  23   1.408  -1.187   4.626
  257   3HM   PIQ  23          3HM       PIP  23   0.918   0.483   4.996
  258    H5   PIQ  23           H5       PIP  23  -4.275  -0.010   0.620
  Start of MODEL    4
    1   1H5*    C   1          1H5'      CYT   1  -8.754  13.642  -4.711
    2   2H5*    C   1          2H5'      CYT   1  -9.027  15.312  -5.245
    3    H4*    C   1           H4'      CYT   1  -8.257  14.679  -7.502
    4    H3*    C   1           H3'      CYT   1  -8.641  12.137  -7.109
    5    H1*    C   1           H1'      CYT   1  -4.996  13.484  -6.654
    6   1H4     C   1          1H4       CYT   1  -2.736  14.006  -0.737
    7   2H4     C   1          2H4       CYT   1  -4.293  13.526  -0.010
    8    H5     C   1           H5       CYT   1  -6.222  13.054  -1.453
    9    H6     C   1           H6       CYT   1  -7.027  12.942  -3.676
   10    H5T    C   1           H5'      CYT   1 -10.258  13.885  -7.118
   11   2H2*    C   1          1H2'      CYT   1  -6.048  11.350  -6.589
   12   1H2*    C   1          2H2'      CYT   1  -7.067  11.778  -5.223
   13   1H5*    C   2          1H5'      CYT   2  -4.503  13.380  -9.173
   14   2H5*    C   2          2H5'      CYT   2  -4.657  12.551 -10.734
   15    H4*    C   2           H4'      CYT   2  -2.376  12.648 -10.400
   16    H3*    C   2           H3'      CYT   2  -3.367  10.172 -10.500
   17    H1*    C   2           H1'      CYT   2  -0.723  11.189  -7.880
   18   1H4     C   2          1H4       CYT   2  -2.312  11.105  -1.730
   19   2H4     C   2          2H4       CYT   2  -4.023  10.751  -2.089
   20    H5     C   2           H5       CYT   2  -4.770  10.562  -4.419
   21    H6     C   2           H6       CYT   2  -4.134  10.657  -6.697
   22   2H2*    C   2          1H2'      CYT   2  -1.676   9.101  -8.590
   23   1H2*    C   2          2H2'      CYT   2  -3.301   9.569  -8.128
   24   1H5*    A   3          1H5'      ADE   3   1.198  10.979  -9.623
   25   2H5*    A   3          2H5'      ADE   3   2.017  10.153 -10.962
   26    H4*    A   3           H4'      ADE   3   3.595  10.136  -9.282
   27    H3*    A   3           H3'      ADE   3   2.670   7.689  -9.995
   28    H1*    A   3           H1'      ADE   3   3.434   8.747  -6.358
   29    H8     A   3           H8       ADE   3  -0.341   8.288  -7.014
   30   1H6     A   3          1H6       ADE   3  -1.050   8.661  -0.916
   31   2H6     A   3          2H6       ADE   3  -1.893   8.441  -2.472
   32    H2     A   3           H2       ADE   3   3.278   9.114  -1.984
   33   2H2*    A   3          1H2'      ADE   3   3.081   6.635  -7.451
   34   1H2*    A   3          2H2'      ADE   3   1.465   7.066  -7.982
   35   1H5*    T   4          1H5'      THY   4   6.091   8.489  -6.944
   36   2H5*    T   4          2H5'      THY   4   7.498   7.548  -7.474
   37    H4*    T   4           H4'      THY   4   7.716   7.859  -5.149
   38    H3*    T   4           H3'      THY   4   7.492   5.267  -6.137
   39   1H2*    T   4          2H2'      THY   4   5.625   4.505  -4.834
   40   2H2*    T   4          1H2'      THY   4   6.784   4.501  -3.511
   41    H1*    T   4           H1'      THY   4   6.150   6.687  -2.769
   42    H3     T   4           H3       THY   4   2.072   6.012  -0.964
   43   1H5M    T   4          1H5M      THY   4   1.584   5.465  -6.293
   44   2H5M    T   4          2H5M      THY   4   0.822   4.208  -5.289
   45   3H5M    T   4          3H5M      THY   4   0.202   5.876  -5.251
   46    H6     T   4           H6       THY   4   3.720   5.764  -5.325
   47   1H5*    C   5          1H5'      CYT   5   9.008   5.757  -1.633
   48   2H5*    C   5          2H5'      CYT   5  10.271   4.547  -1.337
   49    H4*    C   5           H4'      CYT   5   8.746   4.581   0.512
   50    H3*    C   5           H3'      CYT   5   8.836   2.156  -1.163
   51    H1*    C   5           H1'      CYT   5   6.139   4.011   1.166
   52   1H4     C   5          1H4       CYT   5   0.463   2.759  -1.380
   53   2H4     C   5          2H4       CYT   5   1.155   2.565  -3.013
   54    H5     C   5           H5       CYT   5   3.581   2.735  -3.341
   55    H6     C   5           H6       CYT   5   5.680   3.091  -2.306
   56   2H2*    C   5          1H2'      CYT   5   7.153   1.914   1.281
   57   1H2*    C   5          2H2'      CYT   5   6.673   1.506  -0.393
   58   1H5*   +G   6          1H5'      MOD   6   9.459   1.296   3.544
   59   2H5*   +G   6          2H5'      MOD   6  10.013  -0.381   3.714
   60    H4*   +G   6           H4'      MOD   6   7.891   0.267   4.929
   61    H3*   +G   6           H3'      MOD   6   8.532  -2.149   3.765
   62    H1*   +G   6           H1'      MOD   6   5.070  -0.397   3.719
   63    H1    +G   6           H1       MOD   6   6.879  -1.145  -2.972
   64   1H2    +G   6          1H2       MOD   6   8.785  -1.948  -2.330
   65   2H2    +G   6          2H2       MOD   6   9.202  -2.087  -0.601
   66   1H2*   +G   6          1H2'      MOD   6   5.792  -2.663   3.427
   67   2H2*   +G   6          2H2'      MOD   6   6.829  -2.264   2.066
   68   1H5*    C   7          1H5'      CYT   7   4.521  -1.708   6.552
   69   2H5*    C   7          2H5'      CYT   7   5.149  -2.755   7.839
   70    H4*    C   7           H4'      CYT   7   2.888  -3.041   8.053
   71    H3*    C   7           H3'      CYT   7   4.109  -5.271   7.361
   72    H1*    C   7           H1'      CYT   7   0.893  -4.201   5.482
   73   1H4     C   7          1H4       CYT   7   1.368  -2.535  -0.627
   74   2H4     C   7          2H4       CYT   7   3.137  -2.327  -0.525
   75    H5     C   7           H5       CYT   7   4.295  -2.737   1.600
   76    H6     C   7           H6       CYT   7   4.064  -3.367   3.869
   77   2H2*    C   7          1H2'      CYT   7   2.298  -6.142   5.470
   78   1H2*    C   7          2H2'      CYT   7   3.706  -5.246   4.928
   79   1H5*    T   8          1H5'      THY   8  -0.574  -5.125   7.193
   80   2H5*    T   8          2H5'      THY   8  -0.985  -6.212   8.534
   81    H4*    T   8           H4'      THY   8  -2.855  -6.310   7.198
   82    H3*    T   8           H3'      THY   8  -1.486  -8.633   7.359
   83   1H2*    T   8          2H2'      THY   8  -0.589  -8.778   5.102
   84   2H2*    T   8          1H2'      THY   8  -2.186  -9.436   4.792
   85    H1*    T   8           H1'      THY   8  -3.077  -7.311   4.097
   86    H3     T   8           H3       THY   8  -1.215  -6.466   0.079
   87   1H5M    T   8          1H5M      THY   8   2.804  -7.119   3.594
   88   2H5M    T   8          2H5M      THY   8   3.035  -7.308   1.840
   89   3H5M    T   8          3H5M      THY   8   2.892  -5.682   2.548
   90    H6     T   8           H6       THY   8   0.561  -7.136   4.344
   91   1H5*    A   9          1H5'      ADE   9  -6.054  -8.662   5.503
   92   2H5*    A   9          2H5'      ADE   9  -6.759 -10.186   6.075
   93    H4*    A   9           H4'      ADE   9  -7.518  -9.540   3.828
   94    H3*    A   9           H3'      ADE   9  -7.028 -12.038   4.546
   95    H1*    A   9           H1'      ADE   9  -5.579 -10.651   1.238
   96    H8     A   9           H8       ADE   9  -2.880 -11.245   3.904
   97   1H6     A   9          1H6       ADE   9   1.191  -9.332  -0.294
   98   2H6     A   9          2H6       ADE   9   0.993  -9.995   1.350
   99    H2     A   9           H2       ADE   9  -2.971  -8.945  -1.909
  100   2H2*    A   9          1H2'      ADE   9  -5.676 -12.815   2.268
  101   1H2*    A   9          2H2'      ADE   9  -4.746 -12.305   3.665
  102   1H5*    C  10          1H5'      CYT  10  -8.603 -10.898   0.334
  103   2H5*    C  10          2H5'      CYT  10  -9.923 -11.976  -0.158
  104    H4*    C  10           H4'      CYT  10  -8.909 -11.171  -2.130
  105    H3*    C  10           H3'      CYT  10  -9.090 -13.832  -1.772
  106    H1*    C  10           H1'      CYT  10  -5.959 -12.117  -3.239
  107   1H4     C  10          1H4       CYT  10  -0.449 -12.748  -0.144
  108   2H4     C  10          2H4       CYT  10  -1.251 -13.294   1.353
  109    H5     C  10           H5       CYT  10  -3.697 -13.496   1.427
  110    H6     C  10           H6       CYT  10  -5.722 -13.252   0.226
  111   2H2*    C  10          1H2'      CYT  10  -6.721 -14.392  -3.106
  112   1H2*    C  10          2H2'      CYT  10  -6.752 -14.386  -1.352
  113   1H5*    C  11          1H5'      CYT  11  -7.407 -12.019  -5.940
  114   2H5*    C  11          2H5'      CYT  11  -8.296 -12.918  -7.185
  115    H4*    C  11           H4'      CYT  11  -6.145 -12.353  -8.038
  116    H3*    C  11           H3'      CYT  11  -6.996 -14.934  -8.065
  117    H1*    C  11           H1'      CYT  11  -3.377 -13.827  -7.283
  118   1H4     C  11          1H4       CYT  11  -0.911 -15.511  -1.679
  119   2H4     C  11          2H4       CYT  11  -2.509 -15.920  -0.999
  120    H5     C  11           H5       CYT  11  -4.525 -15.665  -2.374
  121    H6     C  11           H6       CYT  11  -5.392 -15.032  -4.484
  122   2H2*    C  11          1H2'      CYT  11  -4.394 -15.917  -7.887
  123   1H2*    C  11          2H2'      CYT  11  -5.448 -15.925  -6.483
  124   1H5*    G  12          1H5'      GUA  12   8.235 -15.758  -1.889
  125   2H5*    G  12          2H5'      GUA  12   8.598 -17.215  -2.834
  126    H4*    G  12           H4'      GUA  12   8.991 -15.816  -4.810
  127    H3*    G  12           H3'      GUA  12   9.415 -13.657  -3.420
  128    H1*    G  12           H1'      GUA  12   5.857 -14.115  -4.976
  129    H8     G  12           H8       GUA  12   6.060 -15.223  -1.314
  130    H1     G  12           H1       GUA  12   0.214 -14.748  -3.797
  131   1H2     G  12          1H2       GUA  12   1.881 -13.855  -6.682
  132   2H2     G  12          2H2       GUA  12   0.318 -14.150  -5.874
  133    H5T    G  12           H5'      GUA  12  10.445 -16.176  -1.525
  134   2H2*    G  12          1H2'      GUA  12   6.973 -12.412  -3.743
  135   1H2*    G  12          2H2'      GUA  12   7.195 -13.434  -2.331
  136   1H5*    G  13          1H5'      GUA  13   6.506 -13.318  -7.103
  137   2H5*    G  13          2H5'      GUA  13   7.384 -12.207  -8.170
  138    H4*    G  13           H4'      GUA  13   5.172 -11.895  -8.757
  139    H3*    G  13           H3'      GUA  13   6.380  -9.730  -7.728
  140    H1*    G  13           H1'      GUA  13   2.768 -10.727  -6.804
  141    H8     G  13           H8       GUA  13   5.247 -11.317  -3.943
  142    H1     G  13           H1       GUA  13  -0.926 -11.948  -2.503
  143   1H2     G  13          1H2       GUA  13  -1.428 -11.244  -5.842
  144   2H2     G  13          2H2       GUA  13  -2.152 -11.627  -4.257
  145   2H2*    G  13          1H2'      GUA  13   4.114  -8.763  -6.458
  146   1H2*    G  13          2H2'      GUA  13   5.322  -9.631  -5.529
  147   1H5*    T  14          1H5'      THY  14   2.072  -9.751  -9.166
  148   2H5*    T  14          2H5'      THY  14   1.874  -8.574 -10.478
  149    H4*    T  14           H4'      THY  14  -0.251  -8.808  -9.567
  150    H3*    T  14           H3'      THY  14   0.856  -6.339  -9.403
  151   1H2*    T  14          2H2'      THY  14   1.184  -6.159  -7.003
  152   2H2*    T  14          1H2'      THY  14  -0.515  -5.721  -7.059
  153    H1*    T  14           H1'      THY  14  -1.250  -7.961  -6.598
  154    H3     T  14           H3       THY  14  -0.230  -8.761  -2.279
  155   1H5M    T  14          1H5M      THY  14   4.220  -8.116  -2.863
  156   2H5M    T  14          2H5M      THY  14   4.444  -8.474  -4.592
  157   3H5M    T  14          3H5M      THY  14   4.187  -6.796  -4.056
  158    H6     T  14           H6       THY  14   2.335  -7.621  -6.009
  159   1H5*    A  15          1H5'      ADE  15  -3.763  -7.221  -9.115
  160   2H5*    A  15          2H5'      ADE  15  -4.609  -5.984 -10.065
  161    H4*    A  15           H4'      ADE  15  -6.052  -6.877  -8.350
  162    H3*    A  15           H3'      ADE  15  -5.996  -4.308  -8.820
  163    H1*    A  15           H1'      ADE  15  -5.550  -5.504  -5.141
  164    H8     A  15           H8       ADE  15  -2.287  -4.256  -6.732
  165   1H6     A  15          1H6       ADE  15   0.414  -5.510  -1.350
  166   2H6     A  15          2H6       ADE  15   0.653  -4.819  -2.977
  167    H2     A  15           H2       ADE  15  -3.871  -6.818  -1.253
  168   2H2*    A  15          1H2'      ADE  15  -5.747  -3.387  -6.232
  169   1H2*    A  15          2H2'      ADE  15  -4.282  -3.618  -7.171
  170   1H5*    G  16          1H5'      GUA  16  -7.882  -5.394  -4.673
  171   2H5*    G  16          2H5'      GUA  16  -9.421  -4.534  -4.474
  172    H4*    G  16           H4'      GUA  16  -8.390  -4.439  -2.383
  173    H3*    G  16           H3'      GUA  16  -8.283  -1.909  -3.882
  174    H1*    G  16           H1'      GUA  16  -6.075  -3.740  -1.080
  175    H8     G  16           H8       GUA  16  -4.564  -2.218  -4.243
  176    H1     G  16           H1       GUA  16  -0.560  -3.202   0.612
  177   1H2     G  16          1H2       GUA  16  -3.387  -4.254   2.285
  178   2H2     G  16          2H2       GUA  16  -1.626  -3.971   2.330
  179   2H2*    G  16          1H2'      GUA  16  -7.213  -1.697  -1.127
  180   1H2*    G  16          2H2'      GUA  16  -6.394  -1.187  -2.636
  181   1H5*    C  17          1H5'      CYT  17  -8.741  -1.844   0.475
  182   2H5*    C  17          2H5'      CYT  17  -9.888  -0.638   1.088
  183    H4*    C  17           H4'      CYT  17  -7.618  -0.750   2.199
  184    H3*    C  17           H3'      CYT  17  -9.214   1.432   1.823
  185    H1*    C  17           H1'      CYT  17  -5.373   1.370   1.345
  186   1H4     C  17          1H4       CYT  17  -3.670   2.046  -4.869
  187   2H4     C  17          2H4       CYT  17  -4.259   3.722  -4.702
  188    H5     C  17           H5       CYT  17  -5.462   4.399  -2.673
  189    H6     C  17           H6       CYT  17  -6.293   3.714  -0.565
  190   2H2*    C  17          1H2'      CYT  17  -6.993   3.117   1.648
  191   1H2*    C  17          2H2'      CYT  17  -7.897   2.666   0.211
  192   1H5*    G  18          1H5'      GUA  18  -6.353   0.972   5.864
  193   2H5*    G  18          2H5'      GUA  18  -7.080   2.174   6.947
  194    H4*    G  18           H4'      GUA  18  -4.806   1.952   7.552
  195    H3*    G  18           H3'      GUA  18  -5.750   4.390   7.013
  196    H1*    G  18           H1'      GUA  18  -2.315   3.213   5.705
  197    H8     G  18           H8       GUA  18  -4.983   2.975   2.968
  198    H1     G  18           H1       GUA  18   1.071   3.137   0.994
  199   1H2     G  18          1H2       GUA  18   1.801   3.435   4.352
  200   2H2     G  18          2H2       GUA  18   2.413   3.338   2.679
  201   2H2*    G  18          1H2'      GUA  18  -3.457   5.326   5.781
  202   1H2*    G  18          2H2'      GUA  18  -4.788   4.758   4.791
  203   1H5*    A  19          1H5'      ADE  19  -1.105   4.178   8.374
  204   2H5*    A  19          2H5'      ADE  19  -1.032   5.316   9.733
  205    H4*    A  19           H4'      ADE  19   1.037   5.470   8.647
  206    H3*    A  19           H3'      ADE  19  -0.530   7.727   8.746
  207    H1*    A  19           H1'      ADE  19   1.745   6.639   5.799
  208    H8     A  19           H8       ADE  19  -2.020   6.594   4.952
  209   1H6     A  19          1H6       ADE  19  -0.293   5.913  -0.912
  210   2H6     A  19          2H6       ADE  19  -1.687   6.065   0.191
  211    H2     A  19           H2       ADE  19   3.318   6.122   1.733
  212   2H2*    A  19          1H2'      ADE  19   0.795   8.730   6.486
  213   1H2*    A  19          2H2'      ADE  19  -0.853   8.128   6.390
  214   1H5*    T  20          1H5'      THY  20   3.637   7.638   7.269
  215   2H5*    T  20          2H5'      THY  20   4.787   8.814   7.934
  216    H4*    T  20           H4'      THY  20   5.408   8.458   5.693
  217    H3*    T  20           H3'      THY  20   4.267  11.053   6.333
  218   1H2*    T  20          2H2'      THY  20   3.292  11.340   4.238
  219   2H2*    T  20          1H2'      THY  20   4.923  11.044   3.516
  220    H1*    T  20           H1'      THY  20   4.435   8.761   3.088
  221    H3     T  20           H3       THY  20   1.177   9.028  -0.040
  222   1H5M    T  20          1H5M      THY  20  -2.090   9.512   3.090
  223   2H5M    T  20          2H5M      THY  20  -1.262   9.227   4.639
  224   3H5M    T  20          3H5M      THY  20  -1.341  10.870   3.962
  225    H6     T  20           H6       THY  20   1.268   9.658   4.585
  226   1H5*    G  21          1H5'      GUA  21   7.253  10.914   2.981
  227   2H5*    G  21          2H5'      GUA  21   8.393  12.271   3.052
  228    H4*    G  21           H4'      GUA  21   7.614  12.199   0.844
  229    H3*    G  21           H3'      GUA  21   6.639  14.415   2.459
  230    H1*    G  21           H1'      GUA  21   5.271  12.357  -0.662
  231    H8     G  21           H8       GUA  21   3.131  12.533   2.487
  232    H1     G  21           H1       GUA  21   0.001  11.579  -2.979
  233   1H2     G  21          1H2       GUA  21   3.106  11.975  -4.431
  234   2H2     G  21          2H2       GUA  21   1.363  11.670  -4.659
  235   2H2*    G  21          1H2'      GUA  21   5.536  14.670  -0.210
  236   1H2*    G  21          2H2'      GUA  21   4.603  14.558   1.332
  237   1H5*    G  22          1H5'      GUA  22   7.189  14.888  -2.010
  238   2H5*    G  22          2H5'      GUA  22   8.271  16.265  -2.295
  239    H4*    G  22           H4'      GUA  22   6.724  16.449  -3.994
  240    H3*    G  22           H3'      GUA  22   6.661  18.468  -2.187
  241    H1*    G  22           H1'      GUA  22   3.518  16.890  -3.788
  242    H8     G  22           H8       GUA  22   3.860  16.129  -0.050
  243    H1     G  22           H1       GUA  22  -1.644  14.447  -2.778
  244   1H2     G  22          1H2       GUA  22  -0.194  15.664  -5.662
  245   2H2     G  22          2H2       GUA  22  -1.616  14.912  -4.892
  246   2H2*    G  22          1H2'      GUA  22   3.940  18.918  -2.568
  247   1H2*    G  22          2H2'      GUA  22   4.505  18.063  -1.144
  248    HN1  PIQ  23           HN       PIP  23   3.392   1.168   3.119
  249    H7   PIQ  23           H7       PIP  23  -1.380  -1.233   4.489
  250    H2'  PIQ  23           H2'      PIP  23  -3.323  -1.310   5.318
  251    H3'  PIQ  23           H3'      PIP  23  -5.443  -2.169   6.277
  252    H4'  PIQ  23           H4'      PIP  23  -7.287  -2.926   4.777
  253    H5'  PIQ  23           H5'      PIP  23  -6.981  -2.817   2.304
  254    H6'  PIQ  23           H6'      PIP  23  -4.864  -1.960   1.340
  255   1HM   PIQ  23          1HM       PIP  23   0.761  -0.958   5.249
  256   2HM   PIQ  23          2HM       PIP  23   2.402  -1.136   4.582
  257   3HM   PIQ  23          3HM       PIP  23   1.823   0.463   5.107
  258    H5   PIQ  23           H5       PIP  23  -3.362  -0.656   0.684
  Start of MODEL    5
    1   1H5*    C   1          1H5'      CYT   1  -9.138  12.237  -4.874
    2   2H5*    C   1          2H5'      CYT   1  -9.446  13.769  -5.713
    3    H4*    C   1           H4'      CYT   1  -8.341  12.883  -7.713
    4    H3*    C   1           H3'      CYT   1  -8.664  10.388  -6.886
    5    H1*    C   1           H1'      CYT   1  -5.197  12.087  -6.663
    6   1H4     C   1          1H4       CYT   1  -2.738  13.296  -0.930
    7   2H4     C   1          2H4       CYT   1  -4.246  12.839  -0.092
    8    H5     C   1           H5       CYT   1  -6.203  12.133  -1.394
    9    H6     C   1           H6       CYT   1  -7.083  11.741  -3.556
   10    H5T    C   1           H5'      CYT   1 -10.399  12.114  -7.466
   11   2H2*    C   1          1H2'      CYT   1  -6.014   9.858  -6.311
   12   1H2*    C   1          2H2'      CYT   1  -7.078  10.344  -5.005
   13   1H5*    C   2          1H5'      CYT   2  -4.627  11.527  -9.275
   14   2H5*    C   2          2H5'      CYT   2  -4.943  10.545 -10.719
   15    H4*    C   2           H4'      CYT   2  -2.655  10.673 -10.710
   16    H3*    C   2           H3'      CYT   2  -3.530   8.203 -10.383
   17    H1*    C   2           H1'      CYT   2  -0.710   9.561  -8.108
   18   1H4     C   2          1H4       CYT   2  -1.934  10.509  -1.944
   19   2H4     C   2          2H4       CYT   2  -3.659  10.098  -2.138
   20    H5     C   2           H5       CYT   2  -4.541   9.530  -4.356
   21    H6     C   2           H6       CYT   2  -4.040   9.254  -6.653
   22   2H2*    C   2          1H2'      CYT   2  -1.735   7.420  -8.439
   23   1H2*    C   2          2H2'      CYT   2  -3.319   7.986  -7.940
   24   1H5*    A   3          1H5'      ADE   3   0.977   9.086  -9.810
   25   2H5*    A   3          2H5'      ADE   3   1.769   8.225 -11.143
   26    H4*    A   3           H4'      ADE   3   3.448   8.251  -9.615
   27    H3*    A   3           H3'      ADE   3   2.420   5.774  -9.912
   28    H1*    A   3           H1'      ADE   3   3.430   7.264  -6.496
   29    H8     A   3           H8       ADE   3  -0.380   6.791  -6.852
   30   1H6     A   3          1H6       ADE   3  -0.741   8.332  -0.908
   31   2H6     A   3          2H6       ADE   3  -1.671   7.820  -2.342
   32    H2     A   3           H2       ADE   3   3.517   8.545  -2.287
   33   2H2*    A   3          1H2'      ADE   3   2.902   5.050  -7.272
   34   1H2*    A   3          2H2'      ADE   3   1.284   5.503  -7.776
   35   1H5*    T   4          1H5'      THY   4   5.975   6.846  -7.105
   36   2H5*    T   4          2H5'      THY   4   7.327   5.788  -7.554
   37    H4*    T   4           H4'      THY   4   7.669   6.356  -5.307
   38    H3*    T   4           H3'      THY   4   7.202   3.678  -5.913
   39   1H2*    T   4          2H2'      THY   4   5.364   3.253  -4.430
   40   2H2*    T   4          1H2'      THY   4   6.589   3.352  -3.171
   41    H1*    T   4           H1'      THY   4   6.145   5.663  -2.733
   42    H3     T   4           H3       THY   4   2.121   5.618  -0.699
   43   1H5M    T   4          1H5M      THY   4   1.327   4.254  -5.836
   44   2H5M    T   4          2H5M      THY   4   0.590   3.177  -4.626
   45   3H5M    T   4          3H5M      THY   4   0.018   4.854  -4.790
   46    H6     T   4           H6       THY   4   3.536   4.516  -5.009
   47   1H5*    C   5          1H5'      CYT   5   9.029   4.601  -1.658
   48   2H5*    C   5          2H5'      CYT   5  10.240   3.374  -1.240
   49    H4*    C   5           H4'      CYT   5   8.794   3.745   0.635
   50    H3*    C   5           H3'      CYT   5   8.844   1.137  -0.642
   51    H1*    C   5           H1'      CYT   5   6.158   3.223   1.415
   52   1H4     C   5          1H4       CYT   5   0.356   2.380  -1.005
   53   2H4     C   5          2H4       CYT   5   0.999   1.869  -2.589
   54    H5     C   5           H5       CYT   5   3.423   1.708  -2.930
   55    H6     C   5           H6       CYT   5   5.563   1.969  -1.952
   56   2H2*    C   5          1H2'      CYT   5   6.980   1.004   1.564
   57   1H2*    C   5          2H2'      CYT   5   6.614   0.666  -0.175
   58   1H5*   +G   6          1H5'      MOD   6   8.553   1.187   4.055
   59   2H5*   +G   6          2H5'      MOD   6   9.109  -0.352   4.742
   60    H4*   +G   6           H4'      MOD   6   6.840   0.310   5.462
   61    H3*   +G   6           H3'      MOD   6   7.554  -2.253   4.448
   62    H1*   +G   6           H1'      MOD   6   4.217  -0.185   4.258
   63    H1    +G   6           H1       MOD   6   6.013  -2.066  -2.217
   64   1H2    +G   6          1H2       MOD   6   7.913  -2.764  -1.454
   65   2H2    +G   6          2H2       MOD   6   8.325  -2.641   0.277
   66   1H2*   +G   6          1H2'      MOD   6   4.770  -2.499   4.577
   67   2H2*   +G   6          2H2'      MOD   6   5.784  -2.545   3.056
   68   1H5*    C   7          1H5'      CYT   7   3.794  -1.958   7.627
   69   2H5*    C   7          2H5'      CYT   7   4.217  -3.283   8.729
   70    H4*    C   7           H4'      CYT   7   1.870  -3.305   8.462
   71    H3*    C   7           H3'      CYT   7   3.292  -5.545   7.851
   72    H1*    C   7           H1'      CYT   7   0.229  -4.264   5.868
   73   1H4     C   7          1H4       CYT   7   1.023  -2.963  -0.297
   74   2H4     C   7          2H4       CYT   7   2.799  -3.092  -0.186
   75    H5     C   7           H5       CYT   7   3.856  -3.605   1.968
   76    H6     C   7           H6       CYT   7   3.506  -4.064   4.264
   77   2H2*    C   7          1H2'      CYT   7   1.388  -6.365   5.984
   78   1H2*    C   7          2H2'      CYT   7   2.911  -5.668   5.460
   79   1H5*    T   8          1H5'      THY   8  -1.388  -5.937   7.859
   80   2H5*    T   8          2H5'      THY   8  -1.905  -7.421   8.683
   81    H4*    T   8           H4'      THY   8  -3.260  -7.210   6.775
   82    H3*    T   8           H3'      THY   8  -1.223  -9.328   6.638
   83   1H2*    T   8          2H2'      THY   8  -1.273  -9.303   4.264
   84   2H2*    T   8          1H2'      THY   8  -3.064  -9.316   4.318
   85    H1*    T   8           H1'      THY   8  -3.190  -6.994   4.037
   86    H3     T   8           H3       THY   8  -1.239  -6.120   0.065
   87   1H5M    T   8          1H5M      THY   8   2.662  -7.385   3.551
   88   2H5M    T   8          2H5M      THY   8   2.903  -7.497   1.791
   89   3H5M    T   8          3H5M      THY   8   2.877  -5.905   2.586
   90    H6     T   8           H6       THY   8   0.413  -7.372   4.248
   91   1H5*    A   9          1H5'      ADE   9  -5.560  -9.472   5.315
   92   2H5*    A   9          2H5'      ADE   9  -6.330 -11.010   5.747
   93    H4*    A   9           H4'      ADE   9  -7.232 -10.170   3.680
   94    H3*    A   9           H3'      ADE   9  -6.580 -12.711   3.924
   95    H1*    A   9           H1'      ADE   9  -5.384 -10.732   0.813
   96    H8     A   9           H8       ADE   9  -2.545 -11.404   3.324
   97   1H6     A   9          1H6       ADE   9   1.222  -8.848  -0.812
   98   2H6     A   9          2H6       ADE   9   1.131  -9.659   0.774
   99    H2     A   9           H2       ADE   9  -3.011  -8.648  -2.268
  100   2H2*    A   9          1H2'      ADE   9  -5.301 -13.025   1.500
  101   1H2*    A   9          2H2'      ADE   9  -4.328 -12.673   2.917
  102   1H5*    C  10          1H5'      CYT  10  -8.041 -10.982  -0.202
  103   2H5*    C  10          2H5'      CYT  10  -9.344 -12.043  -0.770
  104    H4*    C  10           H4'      CYT  10  -8.374 -11.087  -2.686
  105    H3*    C  10           H3'      CYT  10  -8.434 -13.773  -2.512
  106    H1*    C  10           H1'      CYT  10  -5.396 -11.818  -3.871
  107   1H4     C  10          1H4       CYT  10   0.160 -12.404  -0.852
  108   2H4     C  10          2H4       CYT  10  -0.601 -13.122   0.593
  109    H5     C  10           H5       CYT  10  -3.030 -13.460   0.656
  110    H6     C  10           H6       CYT  10  -5.075 -13.222  -0.511
  111   2H2*    C  10          1H2'      CYT  10  -6.055 -14.130  -3.895
  112   1H2*    C  10          2H2'      CYT  10  -6.072 -14.248  -2.145
  113   1H5*    C  11          1H5'      CYT  11  -7.179 -11.584  -6.595
  114   2H5*    C  11          2H5'      CYT  11  -8.007 -12.441  -7.909
  115    H4*    C  11           H4'      CYT  11  -5.928 -11.572  -8.712
  116    H3*    C  11           H3'      CYT  11  -6.578 -14.167  -9.084
  117    H1*    C  11           H1'      CYT  11  -3.031 -12.972  -8.133
  118   1H4     C  11          1H4       CYT  11  -0.508 -15.075  -2.699
  119   2H4     C  11          2H4       CYT  11  -2.072 -15.700  -2.111
  120    H5     C  11           H5       CYT  11  -4.085 -15.451  -3.492
  121    H6     C  11           H6       CYT  11  -4.978 -14.642  -5.529
  122   2H2*    C  11          1H2'      CYT  11  -3.942 -15.039  -8.958
  123   1H2*    C  11          2H2'      CYT  11  -5.001 -15.242  -7.574
  124   1H5*    G  12          1H5'      GUA  12   9.223 -16.210  -4.414
  125   2H5*    G  12          2H5'      GUA  12  10.458 -14.986  -4.060
  126    H4*    G  12           H4'      GUA  12   9.239 -14.384  -6.041
  127    H3*    G  12           H3'      GUA  12   9.721 -12.587  -4.161
  128    H1*    G  12           H1'      GUA  12   6.175 -12.902  -5.676
  129    H8     G  12           H8       GUA  12   6.422 -14.423  -2.171
  130    H1     G  12           H1       GUA  12   0.571 -14.002  -4.650
  131   1H2     G  12          1H2       GUA  12   2.200 -12.724  -7.409
  132   2H2     G  12          2H2       GUA  12   0.652 -13.184  -6.652
  133    H5T    G  12           H5'      GUA  12   7.842 -15.325  -2.776
  134   2H2*    G  12          1H2'      GUA  12   7.244 -11.371  -4.170
  135   1H2*    G  12          2H2'      GUA  12   7.565 -12.611  -2.973
  136   1H5*    G  13          1H5'      GUA  13   7.273 -11.525  -7.980
  137   2H5*    G  13          2H5'      GUA  13   7.955 -10.058  -8.707
  138    H4*    G  13           H4'      GUA  13   5.678 -10.157  -9.324
  139    H3*    G  13           H3'      GUA  13   6.588  -7.951  -8.066
  140    H1*    G  13           H1'      GUA  13   3.158  -9.558  -7.320
  141    H8     G  13           H8       GUA  13   5.695 -10.146  -4.508
  142    H1     G  13           H1       GUA  13  -0.395 -11.403  -3.126
  143   1H2     G  13          1H2       GUA  13  -0.981 -10.419  -6.380
  144   2H2     G  13          2H2       GUA  13  -1.657 -11.012  -4.839
  145   2H2*    G  13          1H2'      GUA  13   4.174  -7.445  -6.787
  146   1H2*    G  13          2H2'      GUA  13   5.494  -8.188  -5.903
  147   1H5*    T  14          1H5'      THY  14   2.220  -8.286  -9.730
  148   2H5*    T  14          2H5'      THY  14   1.959  -6.887 -10.791
  149    H4*    T  14           H4'      THY  14  -0.148  -7.516  -9.943
  150    H3*    T  14           H3'      THY  14   0.738  -4.982  -9.491
  151   1H2*    T  14          2H2'      THY  14   0.991  -5.029  -7.082
  152   2H2*    T  14          1H2'      THY  14  -0.744  -4.774  -7.139
  153    H1*    T  14           H1'      THY  14  -1.233  -7.118  -6.941
  154    H3     T  14           H3       THY  14  -0.204  -8.221  -2.691
  155   1H5M    T  14          1H5M      THY  14   4.132  -6.945  -3.059
  156   2H5M    T  14          2H5M      THY  14   4.467  -7.493  -4.719
  157   3H5M    T  14          3H5M      THY  14   4.093  -5.782  -4.406
  158    H6     T  14           H6       THY  14   2.298  -6.514  -6.243
  159   1H5*    A  15          1H5'      ADE  15  -3.956  -6.255  -8.912
  160   2H5*    A  15          2H5'      ADE  15  -4.729  -4.957  -9.843
  161    H4*    A  15           H4'      ADE  15  -6.236  -5.774  -8.158
  162    H3*    A  15           H3'      ADE  15  -6.008  -3.207  -8.538
  163    H1*    A  15           H1'      ADE  15  -5.579  -4.531  -4.888
  164    H8     A  15           H8       ADE  15  -2.314  -3.333  -6.459
  165   1H6     A  15          1H6       ADE  15   0.514  -5.341  -1.379
  166   2H6     A  15          2H6       ADE  15   0.726  -4.463  -2.917
  167    H2     A  15           H2       ADE  15  -3.818  -6.487  -1.275
  168   2H2*    A  15          1H2'      ADE  15  -5.636  -2.388  -5.932
  169   1H2*    A  15          2H2'      ADE  15  -4.210  -2.709  -6.906
  170   1H5*    G  16          1H5'      GUA  16  -8.386  -4.450  -4.584
  171   2H5*    G  16          2H5'      GUA  16  -9.803  -3.397  -4.407
  172    H4*    G  16           H4'      GUA  16  -8.941  -3.774  -2.242
  173    H3*    G  16           H3'      GUA  16  -8.793  -1.114  -3.309
  174    H1*    G  16           H1'      GUA  16  -6.570  -3.123  -0.735
  175    H8     G  16           H8       GUA  16  -4.856  -1.744  -3.865
  176    H1     G  16           H1       GUA  16  -1.047  -3.230   1.020
  177   1H2     G  16          1H2       GUA  16  -3.993  -4.003   2.640
  178   2H2     G  16          2H2       GUA  16  -2.213  -3.911   2.711
  179   2H2*    G  16          1H2'      GUA  16  -7.441  -0.899  -0.827
  180   1H2*    G  16          2H2'      GUA  16  -6.722  -0.601  -2.473
  181   1H5*    C  17          1H5'      CYT  17  -8.610  -1.176   1.081
  182   2H5*    C  17          2H5'      CYT  17  -9.719  -0.015   1.835
  183    H4*    C  17           H4'      CYT  17  -7.330   0.070   2.606
  184    H3*    C  17           H3'      CYT  17  -9.054   2.197   2.202
  185    H1*    C  17           H1'      CYT  17  -5.249   2.065   1.429
  186   1H4     C  17          1H4       CYT  17  -4.141   2.594  -4.931
  187   2H4     C  17          2H4       CYT  17  -4.690   4.282  -4.745
  188    H5     C  17           H5       CYT  17  -5.686   5.017  -2.628
  189    H6     C  17           H6       CYT  17  -6.321   4.390  -0.436
  190   2H2*    C  17          1H2'      CYT  17  -6.795   3.843   1.862
  191   1H2*    C  17          2H2'      CYT  17  -7.834   3.401   0.515
  192   1H5*    G  18          1H5'      GUA  18  -6.301   2.200   6.603
  193   2H5*    G  18          2H5'      GUA  18  -7.002   3.691   7.260
  194    H4*    G  18           H4'      GUA  18  -4.734   3.416   8.024
  195    H3*    G  18           H3'      GUA  18  -5.599   5.752   7.115
  196    H1*    G  18           H1'      GUA  18  -2.191   4.335   5.964
  197    H8     G  18           H8       GUA  18  -4.920   3.829   3.319
  198    H1     G  18           H1       GUA  18   1.088   3.021   1.364
  199   1H2     G  18          1H2       GUA  18   1.893   3.788   4.630
  200   2H2     G  18          2H2       GUA  18   2.468   3.352   2.999
  201   2H2*    G  18          1H2'      GUA  18  -3.331   6.431   5.692
  202   1H2*    G  18          2H2'      GUA  18  -4.678   5.705   4.836
  203   1H5*    A  19          1H5'      ADE  19  -0.960   5.447   8.754
  204   2H5*    A  19          2H5'      ADE  19  -0.930   6.846   9.844
  205    H4*    A  19           H4'      ADE  19   1.268   6.508   9.014
  206    H3*    A  19           H3'      ADE  19   0.152   8.927   8.802
  207    H1*    A  19           H1'      ADE  19   2.159   7.350   5.908
  208    H8     A  19           H8       ADE  19  -1.632   7.400   5.197
  209   1H6     A  19          1H6       ADE  19  -0.191   5.675  -0.530
  210   2H6     A  19          2H6       ADE  19  -1.526   6.106   0.572
  211    H2     A  19           H2       ADE  19   3.527   6.018   1.947
  212   2H2*    A  19          1H2'      ADE  19   1.266   9.539   6.342
  213   1H2*    A  19          2H2'      ADE  19  -0.388   8.961   6.415
  214   1H5*    T  20          1H5'      THY  20   4.262   8.234   6.970
  215   2H5*    T  20          2H5'      THY  20   5.481   9.420   7.475
  216    H4*    T  20           H4'      THY  20   5.986   8.915   5.251
  217    H3*    T  20           H3'      THY  20   4.854  11.541   5.716
  218   1H2*    T  20          2H2'      THY  20   3.711  11.630   3.703
  219   2H2*    T  20          1H2'      THY  20   5.296  11.325   2.882
  220    H1*    T  20           H1'      THY  20   4.858   8.997   2.671
  221    H3     T  20           H3       THY  20   1.396   8.759  -0.215
  222   1H5M    T  20          1H5M      THY  20  -1.667   9.769   3.000
  223   2H5M    T  20          2H5M      THY  20  -0.741   9.746   4.519
  224   3H5M    T  20          3H5M      THY  20  -0.864  11.249   3.575
  225    H6     T  20           H6       THY  20   1.776  10.100   4.241
  226   1H5*    G  21          1H5'      GUA  21   7.580  10.980   2.181
  227   2H5*    G  21          2H5'      GUA  21   8.815  12.251   2.119
  228    H4*    G  21           H4'      GUA  21   8.061  12.074  -0.068
  229    H3*    G  21           H3'      GUA  21   7.253  14.436   1.318
  230    H1*    G  21           H1'      GUA  21   5.565  12.331  -1.550
  231    H8     G  21           H8       GUA  21   3.577  12.806   1.688
  232    H1     G  21           H1       GUA  21   0.283  10.826  -3.390
  233   1H2     G  21          1H2       GUA  21   3.314  11.061  -5.022
  234   2H2     G  21          2H2       GUA  21   1.577  10.667  -5.119
  235   2H2*    G  21          1H2'      GUA  21   5.810  14.671  -1.080
  236   1H2*    G  21          2H2'      GUA  21   5.096  14.488   0.591
  237   1H5*    G  22          1H5'      GUA  22   6.956  14.495  -3.230
  238   2H5*    G  22          2H5'      GUA  22   7.994  15.818  -3.797
  239    H4*    G  22           H4'      GUA  22   6.166  16.036  -5.156
  240    H3*    G  22           H3'      GUA  22   6.373  18.034  -3.264
  241    H1*    G  22           H1'      GUA  22   3.108  16.403  -4.588
  242    H8     G  22           H8       GUA  22   3.676  16.074  -0.823
  243    H1     G  22           H1       GUA  22  -1.741  13.587  -3.069
  244   1H2     G  22          1H2       GUA  22  -0.496  14.523  -6.147
  245   2H2     G  22          2H2       GUA  22  -1.821  13.766  -5.224
  246   2H2*    G  22          1H2'      GUA  22   3.614  18.499  -3.537
  247   1H2*    G  22          2H2'      GUA  22   4.285  17.732  -2.105
  248    HN1  PIQ  23           HN       PIP  23   2.514   1.098   3.478
  249    H7   PIQ  23           H7       PIP  23  -2.329  -1.245   4.868
  250    H2'  PIQ  23           H2'      PIP  23  -4.359  -1.040   5.693
  251    H3'  PIQ  23           H3'      PIP  23  -6.511  -1.836   6.635
  252    H4'  PIQ  23           H4'      PIP  23  -8.297  -2.712   5.130
  253    H5'  PIQ  23           H5'      PIP  23  -7.907  -2.775   2.669
  254    H6'  PIQ  23           H6'      PIP  23  -5.757  -1.981   1.720
  255   1HM   PIQ  23          1HM       PIP  23  -0.155  -1.136   5.604
  256   2HM   PIQ  23          2HM       PIP  23   1.495  -1.243   4.947
  257   3HM   PIQ  23          3HM       PIP  23   0.874   0.314   5.544
  258    H5   PIQ  23           H5       PIP  23  -4.295  -0.494   1.085
  Start of MODEL    6
    1   1H5*    C   1          1H5'      CYT   1  -9.142  12.287  -5.354
    2   2H5*    C   1          2H5'      CYT   1  -9.412  13.848  -6.152
    3    H4*    C   1           H4'      CYT   1  -8.154  13.058  -8.098
    4    H3*    C   1           H3'      CYT   1  -8.491  10.519  -7.333
    5    H1*    C   1           H1'      CYT   1  -5.093  12.313  -6.988
    6   1H4     C   1          1H4       CYT   1  -2.716  13.282  -1.176
    7   2H4     C   1          2H4       CYT   1  -4.194  12.678  -0.378
    8    H5     C   1           H5       CYT   1  -6.106  11.951  -1.734
    9    H6     C   1           H6       CYT   1  -6.961  11.661  -3.922
   10    H5T    C   1           H5'      CYT   1 -10.233  12.297  -8.034
   11   2H2*    C   1          1H2'      CYT   1  -5.826  10.035  -6.768
   12   1H2*    C   1          2H2'      CYT   1  -6.927  10.408  -5.455
   13   1H5*    C   2          1H5'      CYT   2  -4.505  11.634  -9.736
   14   2H5*    C   2          2H5'      CYT   2  -4.753  10.687 -11.216
   15    H4*    C   2           H4'      CYT   2  -2.472  10.761 -11.085
   16    H3*    C   2           H3'      CYT   2  -3.419   8.300 -10.776
   17    H1*    C   2           H1'      CYT   2  -0.638   9.652  -8.458
   18   1H4     C   2          1H4       CYT   2  -1.943  10.575  -2.308
   19   2H4     C   2          2H4       CYT   2  -3.656  10.123  -2.518
   20    H5     C   2           H5       CYT   2  -4.502   9.538  -4.746
   21    H6     C   2           H6       CYT   2  -3.974   9.279  -7.039
   22   2H2*    C   2          1H2'      CYT   2  -1.652   7.503  -8.807
   23   1H2*    C   2          2H2'      CYT   2  -3.245   8.065  -8.337
   24   1H5*    A   3          1H5'      ADE   3   1.186   9.133 -10.196
   25   2H5*    A   3          2H5'      ADE   3   1.918   8.165 -11.490
   26    H4*    A   3           H4'      ADE   3   3.598   8.231  -9.936
   27    H3*    A   3           H3'      ADE   3   2.561   5.771 -10.262
   28    H1*    A   3           H1'      ADE   3   3.493   7.208  -6.803
   29    H8     A   3           H8       ADE   3  -0.310   6.796  -7.269
   30   1H6     A   3          1H6       ADE   3  -0.827   8.394  -1.350
   31   2H6     A   3          2H6       ADE   3  -1.720   7.879  -2.807
   32    H2     A   3           H2       ADE   3   3.471   8.554  -2.610
   33   2H2*    A   3          1H2'      ADE   3   2.928   5.017  -7.618
   34   1H2*    A   3          2H2'      ADE   3   1.340   5.519  -8.166
   35   1H5*    T   4          1H5'      THY   4   6.202   6.716  -7.482
   36   2H5*    T   4          2H5'      THY   4   7.497   5.541  -7.780
   37    H4*    T   4           H4'      THY   4   7.667   6.274  -5.530
   38    H3*    T   4           H3'      THY   4   7.209   3.555  -6.082
   39   1H2*    T   4          2H2'      THY   4   5.375   3.187  -4.594
   40   2H2*    T   4          1H2'      THY   4   6.560   3.425  -3.313
   41    H1*    T   4           H1'      THY   4   6.024   5.736  -3.062
   42    H3     T   4           H3       THY   4   1.931   5.614  -1.168
   43   1H5M    T   4          1H5M      THY   4   1.303   4.309  -6.321
   44   2H5M    T   4          2H5M      THY   4   0.717   3.049  -5.209
   45   3H5M    T   4          3H5M      THY   4  -0.054   4.652  -5.223
   46    H6     T   4           H6       THY   4   3.534   4.464  -5.398
   47   1H5*    C   5          1H5'      CYT   5   8.981   4.772  -1.819
   48   2H5*    C   5          2H5'      CYT   5  10.272   3.614  -1.446
   49    H4*    C   5           H4'      CYT   5   9.008   4.004   0.535
   50    H3*    C   5           H3'      CYT   5   9.133   1.397  -0.576
   51    H1*    C   5           H1'      CYT   5   6.322   3.213   1.473
   52   1H4     C   5          1H4       CYT   5   0.507   2.550  -0.980
   53   2H4     C   5          2H4       CYT   5   1.140   2.051  -2.571
   54    H5     C   5           H5       CYT   5   3.563   1.869  -2.921
   55    H6     C   5           H6       CYT   5   5.706   2.096  -1.947
   56   2H2*    C   5          1H2'      CYT   5   7.196   0.976   1.379
   57   1H2*    C   5          2H2'      CYT   5   6.934   0.869  -0.430
   58   1H5*   +G   6          1H5'      MOD   6   8.445   1.543   4.041
   59   2H5*   +G   6          2H5'      MOD   6   9.085   0.108   4.866
   60    H4*   +G   6           H4'      MOD   6   6.734   0.488   5.383
   61    H3*   +G   6           H3'      MOD   6   7.687  -1.989   4.239
   62    H1*   +G   6           H1'      MOD   6   4.254  -0.013   4.108
   63    H1    +G   6           H1       MOD   6   6.187  -1.946  -2.310
   64   1H2    +G   6          1H2       MOD   6   8.096  -2.581  -1.512
   65   2H2    +G   6          2H2       MOD   6   8.481  -2.422   0.223
   66   1H2*   +G   6          1H2'      MOD   6   4.849  -2.288   4.485
   67   2H2*   +G   6          2H2'      MOD   6   5.811  -2.374   2.949
   68   1H5*    C   7          1H5'      CYT   7   3.964  -1.875   7.269
   69   2H5*    C   7          2H5'      CYT   7   4.376  -3.151   8.430
   70    H4*    C   7           H4'      CYT   7   2.047  -3.239   8.149
   71    H3*    C   7           H3'      CYT   7   3.499  -5.461   7.514
   72    H1*    C   7           H1'      CYT   7   0.400  -4.193   5.576
   73   1H4     C   7          1H4       CYT   7   1.114  -2.938  -0.608
   74   2H4     C   7          2H4       CYT   7   2.894  -2.994  -0.504
   75    H5     C   7           H5       CYT   7   3.979  -3.453   1.649
   76    H6     C   7           H6       CYT   7   3.659  -3.912   3.948
   77   2H2*    C   7          1H2'      CYT   7   1.561  -6.291   5.683
   78   1H2*    C   7          2H2'      CYT   7   3.077  -5.595   5.136
   79   1H5*    T   8          1H5'      THY   8  -1.372  -5.965   7.672
   80   2H5*    T   8          2H5'      THY   8  -1.666  -7.575   8.356
   81    H4*    T   8           H4'      THY   8  -3.170  -7.146   6.517
   82    H3*    T   8           H3'      THY   8  -1.218  -9.332   6.307
   83   1H2*    T   8          2H2'      THY   8  -1.292  -9.265   3.940
   84   2H2*    T   8          1H2'      THY   8  -3.083  -9.241   4.019
   85    H1*    T   8           H1'      THY   8  -3.166  -6.910   3.779
   86    H3     T   8           H3       THY   8  -1.300  -6.136  -0.263
   87   1H5M    T   8          1H5M      THY   8   2.678  -7.365   3.129
   88   2H5M    T   8          2H5M      THY   8   2.903  -7.285   1.366
   89   3H5M    T   8          3H5M      THY   8   2.830  -5.786   2.323
   90    H6     T   8           H6       THY   8   0.434  -7.266   3.922
   91   1H5*    A   9          1H5'      ADE   9  -5.805  -9.645   5.117
   92   2H5*    A   9          2H5'      ADE   9  -6.334 -11.308   5.434
   93    H4*    A   9           H4'      ADE   9  -7.283 -10.344   3.378
   94    H3*    A   9           H3'      ADE   9  -6.569 -12.873   3.613
   95    H1*    A   9           H1'      ADE   9  -5.382 -10.823   0.550
   96    H8     A   9           H8       ADE   9  -2.556 -11.458   3.086
   97   1H6     A   9          1H6       ADE   9   1.203  -8.801  -0.994
   98   2H6     A   9          2H6       ADE   9   1.112  -9.621   0.588
   99    H2     A   9           H2       ADE   9  -3.016  -8.684  -2.498
  100   2H2*    A   9          1H2'      ADE   9  -5.255 -13.126   1.199
  101   1H2*    A   9          2H2'      ADE   9  -4.309 -12.777   2.633
  102   1H5*    C  10          1H5'      CYT  10  -8.333 -11.183  -0.333
  103   2H5*    C  10          2H5'      CYT  10  -9.612 -12.251  -0.942
  104    H4*    C  10           H4'      CYT  10  -8.718 -11.121  -2.803
  105    H3*    C  10           H3'      CYT  10  -8.728 -13.808  -2.834
  106    H1*    C  10           H1'      CYT  10  -5.742 -11.718  -4.103
  107   1H4     C  10          1H4       CYT  10  -0.126 -12.417  -1.220
  108   2H4     C  10          2H4       CYT  10  -0.854 -13.217   0.199
  109    H5     C  10           H5       CYT  10  -3.280 -13.584   0.284
  110    H6     C  10           H6       CYT  10  -5.346 -13.305  -0.834
  111   2H2*    C  10          1H2'      CYT  10  -6.364 -14.035  -4.267
  112   1H2*    C  10          2H2'      CYT  10  -6.350 -14.267  -2.529
  113   1H5*    C  11          1H5'      CYT  11  -6.987 -11.423  -6.667
  114   2H5*    C  11          2H5'      CYT  11  -7.901 -12.125  -8.016
  115    H4*    C  11           H4'      CYT  11  -5.770 -11.546  -8.847
  116    H3*    C  11           H3'      CYT  11  -6.593 -14.144  -9.028
  117    H1*    C  11           H1'      CYT  11  -2.978 -12.991  -8.254
  118   1H4     C  11          1H4       CYT  11  -0.334 -15.076  -2.872
  119   2H4     C  11          2H4       CYT  11  -1.900 -15.612  -2.206
  120    H5     C  11           H5       CYT  11  -3.953 -15.313  -3.517
  121    H6     C  11           H6       CYT  11  -4.889 -14.524  -5.542
  122   2H2*    C  11          1H2'      CYT  11  -3.949 -15.049  -9.024
  123   1H2*    C  11          2H2'      CYT  11  -4.963 -15.220  -7.601
  124   1H5*    G  12          1H5'      GUA  12   8.889 -14.585  -3.191
  125   2H5*    G  12          2H5'      GUA  12   9.369 -15.883  -4.300
  126    H4*    G  12           H4'      GUA  12   9.534 -14.251  -6.120
  127    H3*    G  12           H3'      GUA  12   9.780 -12.223  -4.496
  128    H1*    G  12           H1'      GUA  12   6.275 -12.874  -6.072
  129    H8     G  12           H8       GUA  12   6.612 -14.328  -2.542
  130    H1     G  12           H1       GUA  12   0.713 -14.055  -4.929
  131   1H2     G  12          1H2       GUA  12   2.266 -12.725  -7.709
  132   2H2     G  12          2H2       GUA  12   0.742 -13.230  -6.931
  133    H5T    G  12           H5'      GUA  12  11.108 -14.680  -2.892
  134   2H2*    G  12          1H2'      GUA  12   7.230 -11.192  -4.675
  135   1H2*    G  12          2H2'      GUA  12   7.574 -12.320  -3.375
  136   1H5*    G  13          1H5'      GUA  13   6.850 -11.832  -8.111
  137   2H5*    G  13          2H5'      GUA  13   7.613 -10.568  -9.096
  138    H4*    G  13           H4'      GUA  13   5.381 -10.448  -9.683
  139    H3*    G  13           H3'      GUA  13   6.352  -8.242  -8.513
  140    H1*    G  13           H1'      GUA  13   2.866  -9.662  -7.663
  141    H8     G  13           H8       GUA  13   5.418 -10.283  -4.872
  142    H1     G  13           H1       GUA  13  -0.683 -11.395  -3.418
  143   1H2     G  13          1H2       GUA  13  -1.277 -10.463  -6.685
  144   2H2     G  13          2H2       GUA  13  -1.951 -11.013  -5.127
  145   2H2*    G  13          1H2'      GUA  13   4.009  -7.603  -7.179
  146   1H2*    G  13          2H2'      GUA  13   5.303  -8.407  -6.311
  147   1H5*    T  14          1H5'      THY  14   1.945  -8.574  -9.937
  148   2H5*    T  14          2H5'      THY  14   1.669  -7.250 -11.086
  149    H4*    T  14           H4'      THY  14  -0.426  -7.761 -10.169
  150    H3*    T  14           H3'      THY  14   0.509  -5.238  -9.834
  151   1H2*    T  14          2H2'      THY  14   0.873  -5.215  -7.433
  152   2H2*    T  14          1H2'      THY  14  -0.854  -4.901  -7.428
  153    H1*    T  14           H1'      THY  14  -1.414  -7.218  -7.129
  154    H3     T  14           H3       THY  14  -0.248  -8.258  -2.900
  155   1H5M    T  14          1H5M      THY  14   4.119  -7.197  -3.485
  156   2H5M    T  14          2H5M      THY  14   4.349  -7.520  -5.220
  157   3H5M    T  14          3H5M      THY  14   3.989  -5.868  -4.662
  158    H6     T  14           H6       THY  14   2.150  -6.665  -6.574
  159   1H5*    A  15          1H5'      ADE  15  -4.236  -6.317  -9.262
  160   2H5*    A  15          2H5'      ADE  15  -5.004  -4.977 -10.134
  161    H4*    A  15           H4'      ADE  15  -6.451  -5.810  -8.390
  162    H3*    A  15           H3'      ADE  15  -6.207  -3.241  -8.787
  163    H1*    A  15           H1'      ADE  15  -5.692  -4.577  -5.162
  164    H8     A  15           H8       ADE  15  -2.449  -3.411  -6.813
  165   1H6     A  15          1H6       ADE  15   0.461  -5.373  -1.761
  166   2H6     A  15          2H6       ADE  15   0.651  -4.519  -3.316
  167    H2     A  15           H2       ADE  15  -3.876  -6.478  -1.555
  168   2H2*    A  15          1H2'      ADE  15  -5.760  -2.425  -6.192
  169   1H2*    A  15          2H2'      ADE  15  -4.364  -2.751  -7.206
  170   1H5*    G  16          1H5'      GUA  16  -8.444  -4.419  -4.750
  171   2H5*    G  16          2H5'      GUA  16  -9.843  -3.354  -4.513
  172    H4*    G  16           H4'      GUA  16  -8.867  -3.698  -2.393
  173    H3*    G  16           H3'      GUA  16  -8.669  -1.041  -3.530
  174    H1*    G  16           H1'      GUA  16  -6.482  -3.170  -0.995
  175    H8     G  16           H8       GUA  16  -4.805  -1.753  -4.123
  176    H1     G  16           H1       GUA  16  -0.941  -3.258   0.711
  177   1H2     G  16          1H2       GUA  16  -3.868  -4.026   2.366
  178   2H2     G  16          2H2       GUA  16  -2.087  -3.937   2.415
  179   2H2*    G  16          1H2'      GUA  16  -7.339  -0.952  -0.981
  180   1H2*    G  16          2H2'      GUA  16  -6.604  -0.573  -2.593
  181   1H5*    C  17          1H5'      CYT  17  -8.419  -1.162   0.820
  182   2H5*    C  17          2H5'      CYT  17  -9.525  -0.016   1.603
  183    H4*    C  17           H4'      CYT  17  -7.150   0.018   2.409
  184    H3*    C  17           H3'      CYT  17  -8.835   2.185   2.036
  185    H1*    C  17           H1'      CYT  17  -5.017   2.006   1.332
  186   1H4     C  17          1H4       CYT  17  -3.813   2.707  -5.000
  187   2H4     C  17          2H4       CYT  17  -4.273   4.412  -4.746
  188    H5     C  17           H5       CYT  17  -5.249   5.111  -2.605
  189    H6     C  17           H6       CYT  17  -5.938   4.425  -0.448
  190   2H2*    C  17          1H2'      CYT  17  -6.538   3.798   1.794
  191   1H2*    C  17          2H2'      CYT  17  -7.560   3.420   0.414
  192   1H5*    G  18          1H5'      GUA  18  -6.074   1.785   6.255
  193   2H5*    G  18          2H5'      GUA  18  -6.894   3.051   7.189
  194    H4*    G  18           H4'      GUA  18  -4.679   2.910   7.992
  195    H3*    G  18           H3'      GUA  18  -5.567   5.285   7.281
  196    H1*    G  18           H1'      GUA  18  -2.086   4.111   6.045
  197    H8     G  18           H8       GUA  18  -4.794   3.683   3.366
  198    H1     G  18           H1       GUA  18   1.239   3.173   1.386
  199   1H2     G  18          1H2       GUA  18   2.015   3.741   4.699
  200   2H2     G  18          2H2       GUA  18   2.605   3.432   3.045
  201   2H2*    G  18          1H2'      GUA  18  -3.328   6.154   5.923
  202   1H2*    G  18          2H2'      GUA  18  -4.632   5.428   5.002
  203   1H5*    A  19          1H5'      ADE  19  -0.848   5.183   8.486
  204   2H5*    A  19          2H5'      ADE  19  -0.691   6.523   9.639
  205    H4*    A  19           H4'      ADE  19   1.305   6.456   8.392
  206    H3*    A  19           H3'      ADE  19  -0.271   8.736   8.259
  207    H1*    A  19           H1'      ADE  19   1.889   7.159   5.436
  208    H8     A  19           H8       ADE  19  -1.902   7.189   4.713
  209   1H6     A  19          1H6       ADE  19  -0.415   5.671  -1.060
  210   2H6     A  19          2H6       ADE  19  -1.761   6.029   0.055
  211    H2     A  19           H2       ADE  19   3.294   6.057   1.425
  212   2H2*    A  19          1H2'      ADE  19   1.075   9.371   5.862
  213   1H2*    A  19          2H2'      ADE  19  -0.606   8.856   5.882
  214   1H5*    T  20          1H5'      THY  20   3.902   8.389   6.817
  215   2H5*    T  20          2H5'      THY  20   5.067   9.632   7.311
  216    H4*    T  20           H4'      THY  20   5.685   8.941   5.147
  217    H3*    T  20           H3'      THY  20   4.623  11.623   5.417
  218   1H2*    T  20          2H2'      THY  20   3.598  11.646   3.341
  219   2H2*    T  20          1H2'      THY  20   5.213  11.243   2.627
  220    H1*    T  20           H1'      THY  20   4.699   8.924   2.508
  221    H3     T  20           H3       THY  20   1.409   8.780  -0.590
  222   1H5M    T  20          1H5M      THY  20  -1.813   9.758   2.481
  223   2H5M    T  20          2H5M      THY  20  -0.958   9.760   4.042
  224   3H5M    T  20          3H5M      THY  20  -1.049  11.251   3.075
  225    H6     T  20           H6       THY  20   1.561  10.085   3.890
  226   1H5*    G  21          1H5'      GUA  21   7.515  10.970   2.079
  227   2H5*    G  21          2H5'      GUA  21   8.746  12.244   1.999
  228    H4*    G  21           H4'      GUA  21   7.971  12.019  -0.185
  229    H3*    G  21           H3'      GUA  21   7.137  14.415   1.186
  230    H1*    G  21           H1'      GUA  21   5.561  12.196  -1.691
  231    H8     G  21           H8       GUA  21   3.489  12.821   1.462
  232    H1     G  21           H1       GUA  21   0.277  10.935  -3.705
  233   1H2     G  21          1H2       GUA  21   3.361  11.050  -5.246
  234   2H2     G  21          2H2       GUA  21   1.615  10.718  -5.392
  235   2H2*    G  21          1H2'      GUA  21   5.867  14.540  -1.369
  236   1H2*    G  21          2H2'      GUA  21   5.037  14.507   0.246
  237   1H5*    G  22          1H5'      GUA  22   6.971  14.359  -3.286
  238   2H5*    G  22          2H5'      GUA  22   8.086  15.606  -3.878
  239    H4*    G  22           H4'      GUA  22   6.323  15.837  -5.315
  240    H3*    G  22           H3'      GUA  22   6.548  17.915  -3.524
  241    H1*    G  22           H1'      GUA  22   3.251  16.363  -4.858
  242    H8     G  22           H8       GUA  22   3.672  16.246  -1.068
  243    H1     G  22           H1       GUA  22  -1.668  13.643  -3.363
  244   1H2     G  22          1H2       GUA  22  -0.286  14.355  -6.442
  245   2H2     G  22          2H2       GUA  22  -1.657  13.671  -5.527
  246   2H2*    G  22          1H2'      GUA  22   3.820  18.475  -3.874
  247   1H2*    G  22          2H2'      GUA  22   4.425  17.737  -2.398
  248    HN1  PIQ  23           HN       PIP  23   2.526   1.205   3.289
  249    H7   PIQ  23           H7       PIP  23  -2.227  -1.378   4.630
  250    H2'  PIQ  23           H2'      PIP  23  -4.181  -1.456   5.463
  251    H3'  PIQ  23           H3'      PIP  23  -6.302  -2.357   6.379
  252    H4'  PIQ  23           H4'      PIP  23  -8.140  -3.058   4.844
  253    H5'  PIQ  23           H5'      PIP  23  -7.829  -2.844   2.379
  254    H6'  PIQ  23           H6'      PIP  23  -5.710  -1.943   1.457
  255   1HM   PIQ  23          1HM       PIP  23  -0.044  -1.245   5.359
  256   2HM   PIQ  23          2HM       PIP  23   1.613  -1.223   4.711
  257   3HM   PIQ  23          3HM       PIP  23   0.895   0.267   5.367
  258    H5   PIQ  23           H5       PIP  23  -4.220  -0.577   0.871