*HEADER    DNA                                     17-JAN-03   1NP5              
*TITLE     (GAC)3 PARALLEL DUPLEX                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*AP*CP*GP*AP*CP*GP*AP*C)-3';                       
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS FOUND IN TRIPLET REPEAT              
*SOURCE   4 EXPANSION INVOLVING NEUROGENETIC DISEASES.                           
*KEYWDS    DNA TRINUCLEOTIDE REPEAT, PARALLEL DUPLEX, HOMO-BASEPAIR              
*KEYWDS   2 MISMATCH, NMR SOLUTION STRUCTURE                                     
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.ZHENG, X.HAN, X.GAO                                                 
*REVDAT   1   11-FEB-03 1NP5    0                                               

remark parallell mismatch base pairs (shortened version)
remark h-bond lengths were taken from Saenger's book p118
remark build by mz 6/10/95
assign (resid   1 and name  N3 ) (resid 101 and name H22 )  1.99  0.21  0.03
assign (resid   1 and name  N3 ) (resid 101 and name N2  )  2.90  0.15  0.25
assign (resid   1 and name  H22) (resid 101 and name N3  )  1.99  0.21  0.03
assign (resid   1 and name  N2 ) (resid 101 and name N3  )  2.90  0.15  0.25
assign (resid   2 and name  N7 ) (resid 102 and name H62 )  1.99  0.21  0.03
assign (resid   2 and name  N7 ) (resid 102 and name N6  )  2.90  0.15  0.25
assign (resid   2 and name  H62) (resid 102 and name N7  )  1.99  0.21  0.03
assign (resid   2 and name  N6 ) (resid 102 and name N7  )  2.90  0.15  0.25
assign (resid   3 and name  O2 ) (resid 103 and name H42 )  1.95  0.12  0.22
assign (resid   3 and name  O2 ) (resid 103 and name N4  )  2.95  0.21  0.12
assign (resid   3 and name  H42) (resid 103 and name O2  )  1.95  0.12  0.22
assign (resid   3 and name  N4 ) (resid 103 and name O2  )  2.95  0.21  0.12
assign (resid   3 and name  N3 ) (resid 103 and name N3  )  2.90  0.15  0.25
assign (resid   4 and name  N3 ) (resid 104 and name H22 )  1.99  0.21  0.03
assign (resid   4 and name  N3 ) (resid 104 and name N2  )  2.90  0.15  0.25
assign (resid   4 and name  H22) (resid 104 and name N3  )  1.99  0.21  0.03
assign (resid   4 and name  N2 ) (resid 104 and name N3  )  2.90  0.15  0.25
assign (resid   5 and name  N7 ) (resid 105 and name H62 )  1.99  0.21  0.03
assign (resid   5 and name  N7 ) (resid 105 and name N6  )  2.90  0.15  0.25
assign (resid   5 and name  H62) (resid 105 and name N7  )  1.99  0.21  0.03
assign (resid   5 and name  N6 ) (resid 105 and name N7  )  2.90  0.15  0.25
assign (resid   6 and name  O2 ) (resid 106 and name H42 )  1.95  0.12  0.22
assign (resid   6 and name  O2 ) (resid 106 and name N4  )  2.95  0.21  0.12
assign (resid   6 and name  H42) (resid 106 and name O2  )  1.95  0.12  0.22
assign (resid   6 and name  N4 ) (resid 106 and name O2  )  2.95  0.21  0.12
assign (resid   6 and name  N3 ) (resid 106 and name N3  )  2.90  0.15  0.25
assign (resid   7 and name  N3 ) (resid 107 and name H22 )  1.99  0.21  0.03
assign (resid   7 and name  N3 ) (resid 107 and name N2  )  2.90  0.15  0.25
assign (resid   7 and name  H22) (resid 107 and name N3  )  1.99  0.21  0.03
assign (resid   7 and name  N2 ) (resid 107 and name N3  )  2.90  0.15  0.25
assign (resid   8 and name  N7 ) (resid 108 and name H62 )  1.99  0.21  0.03
assign (resid   8 and name  N7 ) (resid 108 and name N6  )  2.90  0.15  0.25
assign (resid   8 and name  H62) (resid 108 and name N7  )  1.99  0.21  0.03
assign (resid   8 and name  N6 ) (resid 108 and name N7  )  2.90  0.15  0.25
assign (resid   9 and name  O2 ) (resid 109 and name H42 )  1.95  0.12  0.22
assign (resid   9 and name  O2 ) (resid 109 and name N4  )  2.95  0.21  0.12
assign (resid   9 and name  H42) (resid 109 and name O2  )  1.95  0.12  0.22
assign (resid   9 and name  N4 ) (resid 109 and name O2  )  2.95  0.21  0.12
assign (resid   9 and name  N3 ) (resid 109 and name N3  )  2.90  0.15  0.25

remark   TBL constraint table file                intra_mardii        
remark 
assign (resid    1 and name  H4') (resid    1 and name  H5*)   2.6   0.4   0.4
assign (resid    1 and name  H3') (resid    1 and name H2'')   2.8   0.4   0.4
assign (resid    1 and name  H3') (resid    1 and name  H2')   2.7   0.4   0.4
assign (resid    1 and name  H3') (resid    1 and name  H4')   3.2   0.4   0.4
assign (resid    1 and name  H3') (resid    1 and name  H5*)   2.9   0.4   0.4
assign (resid    1 and name H2'') (resid    1 and name  H4')   3.7   0.4   0.4
assign (resid    1 and name H2'') (resid    1 and name  H1')   2.4   0.4   0.4
assign (resid    1 and name   H8) (resid    1 and name  H1')   3.2   0.4   0.8
assign (resid    1 and name   H8) (resid    1 and name  H5*)   4.8   0.4   0.4
assign (resid    1 and name  H2') (resid    1 and name   H8)   2.5   0.4   0.4
assign (resid    1 and name  H2') (resid    1 and name  H5*)   3.6   0.4   0.4
assign (resid    1 and name  H1') (resid    1 and name  H4')   3.3   0.4   0.4
assign (resid    1 and name  H3') (resid    1 and name   H8)   4.9   0.9   0.6
assign (resid    1 and name H2'') (resid    1 and name   H8)   3.7   1.0   1.0
assign (resid    1 and name H2'') (resid    1 and name  H5*)   4.7   0.9   0.8
assign (resid    1 and name  H2') (resid    1 and name  H1')   3.4   0.8   0.8
assign (resid    1 and name  H2') (resid    1 and name  H4')   4.0   0.6   0.6
assign (resid    2 and name  H4') (resid    2 and name  H5*)   2.4   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name H2'')   2.7   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name   H8)   3.5   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name  H1')   3.8   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name  H4')   2.8   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name  H5*)   2.7   0.5   0.5
assign (resid    2 and name H2'') (resid    2 and name   H8)   2.8   0.4   0.8
assign (resid    2 and name H2'') (resid    2 and name  H4')   3.6   0.4   0.4
assign (resid    2 and name H2'') (resid    2 and name  H1')   2.4   0.4   0.4
assign (resid    2 and name   H8) (resid    2 and name  H4')   4.5   0.5   0.5
assign (resid    2 and name   H8) (resid    2 and name  H1')   3.1   0.4   0.4
assign (resid    2 and name  H2') (resid    2 and name   H8)   2.2   0.4   0.8
assign (resid    2 and name  H2') (resid    2 and name  H5*)   4.1   0.4   0.4
assign (resid    2 and name  H2') (resid    2 and name  H4')   4.3   0.6   0.6
assign (resid    2 and name  H1') (resid    2 and name  H4')   3.0   0.4   0.4
assign (resid    2 and name  H3') (resid    2 and name  H2')   2.7   0.7   0.7
assign (resid    2 and name H2'') (resid    2 and name  H5*)   4.5   0.8   0.8
assign (resid    2 and name   H8) (resid    2 and name  H5*)   4.4   0.8   0.8
assign (resid    2 and name  H2') (resid    2 and name  H1')   2.8   0.6   0.6
assign (resid    2 and name  H2') (resid    2 and name   H2)   4.6   0.6   0.6
assign (resid    2 and name   H2) (resid    2 and name  H1')   4.3   0.6   0.6
assign (resid    3 and name  H4') (resid    3 and name H5'')   2.2   0.4   0.4
assign (resid    3 and name  H4') (resid    3 and name  H5')   2.2   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name H2'')   2.6   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name  H2')   2.4   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name  H5')   2.6   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name  H4')   2.8   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name   H6)   3.6   0.6   0.6
assign (resid    3 and name   H6) (resid    3 and name  H1')   3.5   0.4   0.4
assign (resid    3 and name   H6) (resid    3 and name H5'')   3.6   0.4   0.4
assign (resid    3 and name   H6) (resid    3 and name  H5')   3.2   0.4   0.4
assign (resid    3 and name H2'') (resid    3 and name  H4')   3.6   0.4   0.4
assign (resid    3 and name H2'') (resid    3 and name   H6)   2.6   0.4   0.4
assign (resid    3 and name H2'') (resid    3 and name  H1')   2.5   0.4   0.4
assign (resid    3 and name  H2') (resid    3 and name   H5)   3.5   0.6   0.6
assign (resid    3 and name  H2') (resid    3 and name  H5')   3.5   0.4   0.4
assign (resid    3 and name  H2') (resid    3 and name   H6)   2.1   0.3   0.4
assign (resid    3 and name  H2') (resid    3 and name  H4')   3.7   0.4   0.4
assign (resid    3 and name  H1') (resid    3 and name  H4')   3.1   0.4   0.4
assign (resid    3 and name  H3') (resid    3 and name  H1')   3.9   0.6   0.6
assign (resid    3 and name   H6) (resid    3 and name  H4')   4.5   0.8   0.8
assign (resid    3 and name H2'') (resid    3 and name H5'')   3.8   1.0   1.0
assign (resid    3 and name H2'') (resid    3 and name   H5)   4.1   0.8   0.8
assign (resid    3 and name  H2') (resid    3 and name  H1')   3.1   0.9   0.9
assign (resid    3 and name  H2') (resid    3 and name H5'')   4.4   1.0   1.0
assign (resid    3 and name  H3') (resid    3 and name H5'')   3.3   1.5   1.6
assign (resid    4 and name  H4') (resid    4 and name H5'')   2.3   0.4   0.4
assign (resid    4 and name  H3') (resid    4 and name  H2')   2.4   0.4   0.4
assign (resid    4 and name  H3') (resid    4 and name  H5')   2.6   0.4   0.4
assign (resid    4 and name  H3') (resid    4 and name H5'')   3.0   0.5   0.5
assign (resid    4 and name  H3') (resid    4 and name  H1')   3.5   0.4   0.4
assign (resid    4 and name  H3') (resid    4 and name  H4')   2.6   0.4   0.4
assign (resid    4 and name H2'') (resid    4 and name   H8)   2.4   0.4   0.4
assign (resid    4 and name H2'') (resid    4 and name  H4')   3.8   0.5   0.5
assign (resid    4 and name H2'') (resid    4 and name  H1')   2.4   0.4   0.4
assign (resid    4 and name   H8) (resid    4 and name  H1')   3.7   0.5   0.5
assign (resid    4 and name  H2') (resid    4 and name   H8)   2.2   0.4   0.4
assign (resid    4 and name  H2') (resid    4 and name  H1')   2.8   0.4   0.4
assign (resid    4 and name  H1') (resid    4 and name  H4')   3.0   0.4   0.4
assign (resid    4 and name  H3') (resid    4 and name   H8)   3.7   0.8   0.8
assign (resid    4 and name   H8) (resid    4 and name  H5')   4.6   0.7   0.7
assign (resid    4 and name   H8) (resid    4 and name H5'')   4.5   0.8   0.8
assign (resid    4 and name   H8) (resid    4 and name  H4')   4.7   0.6   0.6
assign (resid    4 and name  H2') (resid    4 and name  H4')   4.0   0.7   0.7
assign (resid    5 and name  H3') (resid    5 and name H2'')   2.8   0.5   0.5
assign (resid    5 and name  H3') (resid    5 and name   H8)   3.2   0.4   0.4
assign (resid    5 and name  H3') (resid    5 and name  H2')   2.4   0.4   0.4
assign (resid    5 and name  H3') (resid    5 and name H5'')   3.6   0.4   0.4
assign (resid    5 and name  H3') (resid    5 and name  H4')   2.5   0.4   0.4
assign (resid    5 and name H2'') (resid    5 and name   H8)   3.7   0.4   0.4
assign (resid    5 and name H2'') (resid    5 and name  H4')   2.8   0.4   0.4
assign (resid    5 and name H2'') (resid    5 and name  H1')   2.2   0.4   0.4
assign (resid    5 and name   H8) (resid    5 and name  H5')   3.3   0.4   0.4
assign (resid    5 and name   H8) (resid    5 and name H5'')   3.7   0.4   0.4
assign (resid    5 and name   H8) (resid    5 and name  H1')   3.3   0.4   0.4
assign (resid    5 and name  H2') (resid    5 and name   H8)   3.1   0.4   0.4
assign (resid    5 and name  H2') (resid    5 and name  H1')   2.5   0.4   0.4
assign (resid    5 and name  H2') (resid    5 and name  H4')   3.3   0.4   0.4
assign (resid    5 and name  H1') (resid    5 and name  H4')   3.2   0.4   0.4
assign (resid    5 and name  H3') (resid    5 and name  H1')   4.0   0.9   0.9
assign (resid    5 and name H2'') (resid    5 and name   H2)   4.9   1.0   0.6
assign (resid    5 and name  H2') (resid    5 and name   H2)   4.4   0.6   0.6
assign (resid    5 and name   H2) (resid    5 and name  H1')   4.4   0.6   0.6
assign (resid    6 and name  H3') (resid    6 and name H2'')   2.6   0.4   0.4
assign (resid    6 and name  H3') (resid    6 and name  H2')   2.3   0.4   0.4
assign (resid    6 and name  H3') (resid    6 and name  H5')   2.4   0.4   0.4
assign (resid    6 and name  H3') (resid    6 and name H5'')   2.6   0.4   0.4
assign (resid    6 and name  H3') (resid    6 and name  H1')   3.4   0.6   0.6
assign (resid    6 and name  H3') (resid    6 and name  H4')   2.5   0.4   0.4
assign (resid    6 and name  H3') (resid    6 and name   H6)   3.6   0.4   0.4
assign (resid    6 and name   H6) (resid    6 and name  H4')   3.9   0.4   0.4
assign (resid    6 and name   H6) (resid    6 and name  H1')   3.6   0.4   0.4
assign (resid    6 and name   H6) (resid    6 and name H5'')   3.5   0.4   0.4
assign (resid    6 and name   H6) (resid    6 and name  H5')   2.9   0.4   0.4
assign (resid    6 and name H2'') (resid    6 and name  H1')   2.3   0.4   0.4
assign (resid    6 and name  H2') (resid    6 and name  H1')   2.8   0.4   0.4
assign (resid    6 and name  H2') (resid    6 and name   H6)   2.2   0.4   0.4
assign (resid    6 and name  H2') (resid    6 and name  H4')   3.4   0.5   0.5
assign (resid    6 and name  H1') (resid    6 and name  H4')   2.8   0.4   0.4
assign (resid    6 and name H2'') (resid    6 and name   H6)   3.0   0.7   0.7
assign (resid    6 and name  H2') (resid    6 and name H5'')   3.4   0.6   0.6
assign (resid    6 and name  H2') (resid    6 and name   H5)   3.8   0.7   0.7
assign (resid    6 and name H2'') (resid    6 and name  H4')   4.3   1.6   1.2
assign (resid    7 and name  H4') (resid    7 and name H5'')   2.3   0.4   0.4
assign (resid    7 and name  H4') (resid    7 and name  H5')   2.3   0.4   0.4
assign (resid    7 and name  H3') (resid    7 and name H2'')   2.5   0.4   0.4
assign (resid    7 and name  H3') (resid    7 and name  H5')   2.5   0.4   0.4
assign (resid    7 and name  H3') (resid    7 and name  H1')   3.6   0.6   0.6
assign (resid    7 and name  H3') (resid    7 and name  H4')   2.6   0.4   0.4
assign (resid    7 and name H2'') (resid    7 and name   H8)   2.5   0.4   0.4
assign (resid    7 and name H2'') (resid    7 and name  H4')   3.6   0.4   0.4
assign (resid    7 and name H2'') (resid    7 and name  H1')   2.3   0.4   0.4
assign (resid    7 and name   H8) (resid    7 and name H5'')   4.0   0.5   0.5
assign (resid    7 and name   H8) (resid    7 and name  H1')   3.6   0.4   0.4
assign (resid    7 and name  H2') (resid    7 and name   H8)   2.1   0.3   0.4
assign (resid    7 and name  H2') (resid    7 and name  H1')   2.6   0.4   0.4
assign (resid    7 and name  H2') (resid    7 and name  H4')   3.6   0.4   0.4
assign (resid    7 and name  H1') (resid    7 and name  H4')   3.1   0.4   0.4
assign (resid    7 and name  H3') (resid    7 and name   H8)   3.9   1.1   1.1
assign (resid    7 and name H2'') (resid    7 and name H5'')   4.4   1.0   1.0
assign (resid    7 and name H2'') (resid    7 and name  H5')   4.5   0.9   0.9
assign (resid    7 and name   H8) (resid    7 and name  H4')   4.8   1.0   0.7
assign (resid    7 and name  H2') (resid    7 and name H5'')   4.6   1.0   0.9
assign (resid    7 and name  H2') (resid    7 and name  H5')   4.2   1.1   1.1
assign (resid    7 and name  H3') (resid    7 and name H5'')   3.4   1.6   1.8
assign (resid    8 and name  H3') (resid    8 and name H2'')   3.0   0.5   0.5
assign (resid    8 and name  H3') (resid    8 and name   H8)   3.4   0.4   0.4
assign (resid    8 and name  H3') (resid    8 and name  H2')   2.5   0.4   0.4
assign (resid    8 and name H2'') (resid    8 and name   H8)   4.0   0.4   0.4
assign (resid    8 and name H2'') (resid    8 and name  H4')   2.7   0.4   0.4
assign (resid    8 and name H2'') (resid    8 and name  H1')   2.1   0.3   0.4
assign (resid    8 and name   H8) (resid    8 and name  H5')   3.6   0.4   0.4
assign (resid    8 and name   H8) (resid    8 and name  H4')   3.8   0.4   0.4
assign (resid    8 and name   H8) (resid    8 and name  H1')   3.3   0.4   0.4
assign (resid    8 and name  H2') (resid    8 and name   H8)   3.7   0.4   0.4
assign (resid    8 and name  H2') (resid    8 and name  H1')   2.4   0.4   0.4
assign (resid    8 and name  H2') (resid    8 and name  H4')   3.3   0.4   0.4
assign (resid    8 and name  H1') (resid    8 and name  H4')   3.2   0.4   0.4
assign (resid    8 and name  H4') (resid    8 and name H5'')   2.2   0.4   0.6
assign (resid    8 and name  H3') (resid    8 and name H5'')   3.9   1.0   1.0
assign (resid    8 and name  H3') (resid    8 and name  H1')   3.8   0.6   0.6
assign (resid    8 and name  H3') (resid    8 and name  H4')   3.2   0.8   0.8
assign (resid    8 and name H2'') (resid    8 and name   H2)   4.7   1.0   0.8
assign (resid    8 and name   H8) (resid    8 and name H5'')   3.9   0.7   0.7
assign (resid    9 and name  H3') (resid    9 and name H2'')   2.9   0.4   0.4
assign (resid    9 and name  H3') (resid    9 and name  H2')   2.4   0.4   0.4
assign (resid    9 and name  H3') (resid    9 and name  H5')   2.3   0.4   0.4
assign (resid    9 and name  H3') (resid    9 and name   H6)   2.6   0.4   0.4
assign (resid    9 and name   H6) (resid    9 and name  H1')   3.6   0.4   0.4
assign (resid    9 and name   H6) (resid    9 and name H5'')   3.4   0.5   0.5
assign (resid    9 and name   H6) (resid    9 and name  H5')   3.0   0.4   0.4
assign (resid    9 and name H2'') (resid    9 and name  H4')   2.8   0.5   0.5
assign (resid    9 and name H2'') (resid    9 and name  H1')   2.2   0.4   0.4
assign (resid    9 and name  H2') (resid    9 and name  H1')   2.7   0.4   0.4
assign (resid    9 and name  H2') (resid    9 and name   H6)   3.0   0.4   0.4
assign (resid    9 and name  H1') (resid    9 and name  H4')   3.3   0.4   0.4
assign (resid    9 and name  H3') (resid    9 and name  H1')   4.3   0.7   0.7
assign (resid    9 and name  H3') (resid    9 and name   H5)   4.2   0.6   0.6
assign (resid    9 and name H2'') (resid    9 and name   H6)   4.1   0.9   0.9
assign (resid    9 and name H2'') (resid    9 and name  H5')   4.3   0.8   0.8
assign (resid    9 and name  H2') (resid    9 and name  H5')   4.2   1.0   1.0
assign (resid    9 and name  H2') (resid    9 and name  H4')   3.3   0.6   0.6
assign (resid  101 and name  H4') (resid  101 and name  H5*)   2.6   0.4   0.4
assign (resid  101 and name  H3') (resid  101 and name H2'')   2.8   0.4   0.4
assign (resid  101 and name  H3') (resid  101 and name  H2')   2.7   0.4   0.4
assign (resid  101 and name  H3') (resid  101 and name  H4')   3.2   0.4   0.4
assign (resid  101 and name  H3') (resid  101 and name  H5*)   2.9   0.4   0.4
assign (resid  101 and name H2'') (resid  101 and name  H4')   3.7   0.4   0.4
assign (resid  101 and name H2'') (resid  101 and name  H1')   2.4   0.4   0.4
assign (resid  101 and name   H8) (resid  101 and name  H1')   3.2   0.4   0.8
assign (resid  101 and name   H8) (resid  101 and name  H5*)   4.8   0.4   0.4
assign (resid  101 and name  H2') (resid  101 and name   H8)   2.5   0.4   0.4
assign (resid  101 and name  H2') (resid  101 and name  H5*)   3.6   0.4   0.4
assign (resid  101 and name  H1') (resid  101 and name  H4')   3.3   0.4   0.4
assign (resid  101 and name  H3') (resid  101 and name   H8)   4.9   0.9   0.6
assign (resid  101 and name H2'') (resid  101 and name   H8)   3.7   1.0   1.0
assign (resid  101 and name H2'') (resid  101 and name  H5*)   4.7   0.9   0.8
assign (resid  101 and name  H2') (resid  101 and name  H1')   3.4   0.8   0.8
assign (resid  101 and name  H2') (resid  101 and name  H4')   4.0   0.6   0.6
assign (resid  102 and name  H4') (resid  102 and name  H5*)   2.4   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name H2'')   2.7   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name   H8)   3.5   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name  H1')   3.8   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name  H4')   2.8   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name  H5*)   2.7   0.5   0.5
assign (resid  102 and name H2'') (resid  102 and name   H8)   2.8   0.4   0.8
assign (resid  102 and name H2'') (resid  102 and name  H4')   3.6   0.4   0.4
assign (resid  102 and name H2'') (resid  102 and name  H1')   2.4   0.4   0.4
assign (resid  102 and name   H8) (resid  102 and name  H4')   4.5   0.5   0.5
assign (resid  102 and name   H8) (resid  102 and name  H1')   3.1   0.4   0.4
assign (resid  102 and name  H2') (resid  102 and name   H8)   2.2   0.4   0.8
assign (resid  102 and name  H2') (resid  102 and name  H5*)   4.1   0.4   0.4
assign (resid  102 and name  H2') (resid  102 and name  H4')   4.3   0.6   0.6
assign (resid  102 and name  H1') (resid  102 and name  H4')   3.0   0.4   0.4
assign (resid  102 and name  H3') (resid  102 and name  H2')   2.7   0.7   0.7
assign (resid  102 and name H2'') (resid  102 and name  H5*)   4.5   0.8   0.8
assign (resid  102 and name   H8) (resid  102 and name  H5*)   4.4   0.8   0.8
assign (resid  102 and name  H2') (resid  102 and name  H1')   2.8   0.6   0.6
assign (resid  102 and name  H2') (resid  102 and name   H2)   4.6   0.6   0.6
assign (resid  102 and name   H2) (resid  102 and name  H1')   4.3   0.6   0.6
assign (resid  103 and name  H4') (resid  103 and name H5'')   2.2   0.4   0.4
assign (resid  103 and name  H4') (resid  103 and name  H5')   2.2   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name H2'')   2.6   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name  H2')   2.4   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name  H5')   2.6   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name  H4')   2.8   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name   H6)   3.6   0.6   0.6
assign (resid  103 and name   H6) (resid  103 and name  H1')   3.5   0.4   0.4
assign (resid  103 and name   H6) (resid  103 and name H5'')   3.6   0.4   0.4
assign (resid  103 and name   H6) (resid  103 and name  H5')   3.2   0.4   0.4
assign (resid  103 and name H2'') (resid  103 and name  H4')   3.6   0.4   0.4
assign (resid  103 and name H2'') (resid  103 and name   H6)   2.6   0.4   0.4
assign (resid  103 and name H2'') (resid  103 and name  H1')   2.5   0.4   0.4
assign (resid  103 and name  H2') (resid  103 and name   H5)   3.5   0.6   0.6
assign (resid  103 and name  H2') (resid  103 and name  H5')   3.5   0.4   0.4
assign (resid  103 and name  H2') (resid  103 and name   H6)   2.1   0.3   0.4
assign (resid  103 and name  H2') (resid  103 and name  H4')   3.7   0.4   0.4
assign (resid  103 and name  H1') (resid  103 and name  H4')   3.1   0.4   0.4
assign (resid  103 and name  H3') (resid  103 and name  H1')   3.9   0.6   0.6
assign (resid  103 and name   H6) (resid  103 and name  H4')   4.5   0.8   0.8
assign (resid  103 and name H2'') (resid  103 and name H5'')   3.8   1.0   1.0
assign (resid  103 and name H2'') (resid  103 and name   H5)   4.1   0.8   0.8
assign (resid  103 and name  H2') (resid  103 and name  H1')   3.1   0.9   0.9
assign (resid  103 and name  H2') (resid  103 and name H5'')   4.4   1.0   1.0
assign (resid  103 and name  H3') (resid  103 and name H5'')   3.3   1.5   1.6
assign (resid  104 and name  H4') (resid  104 and name H5'')   2.3   0.4   0.4
assign (resid  104 and name  H3') (resid  104 and name  H2')   2.4   0.4   0.4
assign (resid  104 and name  H3') (resid  104 and name  H5')   2.6   0.4   0.4
assign (resid  104 and name  H3') (resid  104 and name H5'')   3.0   0.5   0.5
assign (resid  104 and name  H3') (resid  104 and name  H1')   3.5   0.4   0.4
assign (resid  104 and name  H3') (resid  104 and name  H4')   2.6   0.4   0.4
assign (resid  104 and name H2'') (resid  104 and name   H8)   2.4   0.4   0.4
assign (resid  104 and name H2'') (resid  104 and name  H4')   3.8   0.5   0.5
assign (resid  104 and name H2'') (resid  104 and name  H1')   2.4   0.4   0.4
assign (resid  104 and name   H8) (resid  104 and name  H1')   3.7   0.5   0.5
assign (resid  104 and name  H2') (resid  104 and name   H8)   2.2   0.4   0.4
assign (resid  104 and name  H2') (resid  104 and name  H1')   2.8   0.4   0.4
assign (resid  104 and name  H1') (resid  104 and name  H4')   3.0   0.4   0.4
assign (resid  104 and name  H3') (resid  104 and name   H8)   3.7   0.8   0.8
assign (resid  104 and name   H8) (resid  104 and name  H5')   4.6   0.7   0.7
assign (resid  104 and name   H8) (resid  104 and name H5'')   4.5   0.8   0.8
assign (resid  104 and name   H8) (resid  104 and name  H4')   4.7   0.6   0.6
assign (resid  104 and name  H2') (resid  104 and name  H4')   4.0   0.7   0.7
assign (resid  105 and name  H3') (resid  105 and name H2'')   2.8   0.5   0.5
assign (resid  105 and name  H3') (resid  105 and name   H8)   3.2   0.4   0.4
assign (resid  105 and name  H3') (resid  105 and name  H2')   2.4   0.4   0.4
assign (resid  105 and name  H3') (resid  105 and name H5'')   3.6   0.4   0.4
assign (resid  105 and name  H3') (resid  105 and name  H4')   2.5   0.4   0.4
assign (resid  105 and name H2'') (resid  105 and name   H8)   3.7   0.4   0.4
assign (resid  105 and name H2'') (resid  105 and name  H4')   2.8   0.4   0.4
assign (resid  105 and name H2'') (resid  105 and name  H1')   2.2   0.4   0.4
assign (resid  105 and name   H8) (resid  105 and name  H5')   3.3   0.4   0.4
assign (resid  105 and name   H8) (resid  105 and name H5'')   3.7   0.4   0.4
assign (resid  105 and name   H8) (resid  105 and name  H1')   3.3   0.4   0.4
assign (resid  105 and name  H2') (resid  105 and name   H8)   3.1   0.4   0.4
assign (resid  105 and name  H2') (resid  105 and name  H1')   2.5   0.4   0.4
assign (resid  105 and name  H2') (resid  105 and name  H4')   3.3   0.4   0.4
assign (resid  105 and name  H1') (resid  105 and name  H4')   3.2   0.4   0.4
assign (resid  105 and name  H3') (resid  105 and name  H1')   4.0   0.9   0.9
assign (resid  105 and name H2'') (resid  105 and name   H2)   4.9   1.0   0.6
assign (resid  105 and name  H2') (resid  105 and name   H2)   4.4   0.6   0.6
assign (resid  105 and name   H2) (resid  105 and name  H1')   4.4   0.6   0.6
assign (resid  106 and name  H3') (resid  106 and name H2'')   2.6   0.4   0.4
assign (resid  106 and name  H3') (resid  106 and name  H2')   2.3   0.4   0.4
assign (resid  106 and name  H3') (resid  106 and name  H5')   2.4   0.4   0.4
assign (resid  106 and name  H3') (resid  106 and name H5'')   2.6   0.4   0.4
assign (resid  106 and name  H3') (resid  106 and name  H1')   3.4   0.6   0.6
assign (resid  106 and name  H3') (resid  106 and name  H4')   2.5   0.4   0.4
assign (resid  106 and name  H3') (resid  106 and name   H6)   3.6   0.4   0.4
assign (resid  106 and name   H6) (resid  106 and name  H4')   3.9   0.4   0.4
assign (resid  106 and name   H6) (resid  106 and name  H1')   3.6   0.4   0.4
assign (resid  106 and name   H6) (resid  106 and name H5'')   3.5   0.4   0.4
assign (resid  106 and name   H6) (resid  106 and name  H5')   2.9   0.4   0.4
assign (resid  106 and name H2'') (resid  106 and name  H1')   2.3   0.4   0.4
assign (resid  106 and name  H2') (resid  106 and name  H1')   2.8   0.4   0.4
assign (resid  106 and name  H2') (resid  106 and name   H6)   2.2   0.4   0.4
assign (resid  106 and name  H2') (resid  106 and name  H4')   3.4   0.5   0.5
assign (resid  106 and name  H1') (resid  106 and name  H4')   2.8   0.4   0.4
assign (resid  106 and name H2'') (resid  106 and name   H6)   3.0   0.7   0.7
assign (resid  106 and name  H2') (resid  106 and name H5'')   3.4   0.6   0.6
assign (resid  106 and name  H2') (resid  106 and name   H5)   3.8   0.7   0.7
assign (resid  106 and name H2'') (resid  106 and name  H4')   4.3   1.6   1.2
assign (resid  107 and name  H4') (resid  107 and name H5'')   2.3   0.4   0.4
assign (resid  107 and name  H4') (resid  107 and name  H5')   2.3   0.4   0.4
assign (resid  107 and name  H3') (resid  107 and name H2'')   2.5   0.4   0.4
assign (resid  107 and name  H3') (resid  107 and name  H5')   2.5   0.4   0.4
assign (resid  107 and name  H3') (resid  107 and name  H1')   3.6   0.6   0.6
assign (resid  107 and name  H3') (resid  107 and name  H4')   2.6   0.4   0.4
assign (resid  107 and name H2'') (resid  107 and name   H8)   2.5   0.4   0.4
assign (resid  107 and name H2'') (resid  107 and name  H4')   3.6   0.4   0.4
assign (resid  107 and name H2'') (resid  107 and name  H1')   2.3   0.4   0.4
assign (resid  107 and name   H8) (resid  107 and name H5'')   4.0   0.5   0.5
assign (resid  107 and name   H8) (resid  107 and name  H1')   3.6   0.4   0.4
assign (resid  107 and name  H2') (resid  107 and name   H8)   2.1   0.3   0.4
assign (resid  107 and name  H2') (resid  107 and name  H1')   2.6   0.4   0.4
assign (resid  107 and name  H2') (resid  107 and name  H4')   3.6   0.4   0.4
assign (resid  107 and name  H1') (resid  107 and name  H4')   3.1   0.4   0.4
assign (resid  107 and name  H3') (resid  107 and name   H8)   3.9   1.1   1.1
assign (resid  107 and name H2'') (resid  107 and name H5'')   4.4   1.0   1.0
assign (resid  107 and name H2'') (resid  107 and name  H5')   4.5   0.9   0.9
assign (resid  107 and name   H8) (resid  107 and name  H4')   4.8   1.0   0.7
assign (resid  107 and name  H2') (resid  107 and name H5'')   4.6   1.0   0.9
assign (resid  107 and name  H2') (resid  107 and name  H5')   4.3   1.2   1.2
assign (resid  107 and name  H3') (resid  107 and name H5'')   3.4   1.6   1.8
assign (resid  108 and name  H3') (resid  108 and name H2'')   3.0   0.5   0.5
assign (resid  108 and name  H3') (resid  108 and name   H8)   3.4   0.4   0.4
assign (resid  108 and name  H3') (resid  108 and name  H2')   2.5   0.4   0.4
assign (resid  108 and name H2'') (resid  108 and name   H8)   4.0   0.4   0.4
assign (resid  108 and name H2'') (resid  108 and name  H4')   2.7   0.4   0.4
assign (resid  108 and name H2'') (resid  108 and name  H1')   2.1   0.3   0.4
assign (resid  108 and name   H8) (resid  108 and name  H5')   3.6   0.4   0.4
assign (resid  108 and name   H8) (resid  108 and name  H4')   3.8   0.4   0.4
assign (resid  108 and name   H8) (resid  108 and name  H1')   3.3   0.4   0.4
assign (resid  108 and name  H2') (resid  108 and name   H8)   3.7   0.4   0.4
assign (resid  108 and name  H2') (resid  108 and name  H1')   2.4   0.4   0.4
assign (resid  108 and name  H2') (resid  108 and name  H4')   3.3   0.4   0.4
assign (resid  108 and name  H1') (resid  108 and name  H4')   3.2   0.4   0.4
assign (resid  108 and name  H4') (resid  108 and name H5'')   2.2   0.4   0.6
assign (resid  108 and name  H3') (resid  108 and name H5'')   3.9   1.0   1.0
assign (resid  108 and name  H3') (resid  108 and name  H1')   3.8   0.6   0.6
assign (resid  108 and name  H3') (resid  108 and name  H4')   3.2   0.8   0.8
assign (resid  108 and name H2'') (resid  108 and name   H2)   4.7   1.0   0.8
assign (resid  108 and name   H8) (resid  108 and name H5'')   3.9   0.7   0.7
assign (resid  109 and name  H3') (resid  109 and name  H2')   2.4   0.4   0.4
assign (resid  109 and name  H3') (resid  109 and name  H5')   2.3   0.4   0.4
assign (resid  109 and name  H3') (resid  109 and name   H6)   2.6   0.4   0.4
assign (resid  109 and name   H6) (resid  109 and name  H1')   3.6   0.4   0.4
assign (resid  109 and name   H6) (resid  109 and name H5'')   3.4   0.5   0.5
assign (resid  109 and name   H6) (resid  109 and name  H5')   3.0   0.4   0.4
assign (resid  109 and name H2'') (resid  109 and name  H4')   2.8   0.5   0.5
assign (resid  109 and name H2'') (resid  109 and name  H1')   2.2   0.4   0.4
assign (resid  109 and name  H2') (resid  109 and name  H1')   2.7   0.4   0.4
assign (resid  109 and name  H2') (resid  109 and name   H6)   3.0   0.4   0.4
assign (resid  109 and name  H1') (resid  109 and name  H4')   3.3   0.4   0.4
assign (resid  109 and name  H3') (resid  109 and name  H1')   4.3   0.7   0.7
assign (resid  109 and name  H3') (resid  109 and name   H5)   4.2   0.6   0.6
assign (resid  109 and name H2'') (resid  109 and name   H6)   4.1   0.9   0.9
assign (resid  109 and name H2'') (resid  109 and name  H5')   4.3   0.8   0.8
assign (resid  109 and name  H2') (resid  109 and name  H5')   4.2   1.0   1.0
assign (resid  109 and name  H2') (resid  109 and name  H4')   3.3   0.6   0.6

remark   TBL constraint table file                inter_mardii        
remark   "!" in the end denotes modified restrains
assign (resid    1 and name H2'') (resid    2 and name  H5*)   3.5   0.4   0.4
assign (resid    1 and name  H1') (resid    2 and name  H5*)   3.5   0.9   0.9!
assign (resid    1 and name  H2') (resid    2 and name   H8)   3.8   0.6   0.6
assign (resid    1 and name H2'') (resid    2 and name   H8)   3.6   1.1   1.1
assign (resid    1 and name  H3') (resid    2 and name   H8)   4.3   0.6   0.6
assign (resid    1 and name  H1') (resid    2 and name   H8)   4.7   1.5   0.8
assign (resid    2 and name  H2') (resid    3 and name  H4')   4.2   0.4   0.4
assign (resid    2 and name H2'') (resid    3 and name   H6)   3.1   0.4   0.4
assign (resid    2 and name  H1') (resid    3 and name   H6)   4.0   0.4   0.4
assign (resid    2 and name  H2') (resid    3 and name   H6)   3.9   0.6   0.6
assign (resid    2 and name  H3') (resid    3 and name   H6)   3.2   0.4   0.4
assign (resid    2 and name  H3') (resid    3 and name   H5)   3.6   0.4   0.4
assign (resid    2 and name   H8) (resid    3 and name   H5)   4.0   0.4   0.4
assign (resid    2 and name H2'') (resid    3 and name   H5)   3.6   0.6   0.6
assign (resid    2 and name  H2') (resid    3 and name   H5)   3.7   0.4   0.4
assign (resid    2 and name  H1') (resid    3 and name H5'')   3.1   0.4   0.4
assign (resid    2 and name H2'') (resid    3 and name  H4')   5.2   1.0   0.3
assign (resid    2 and name  H1') (resid    3 and name  H4')   4.6   0.6   0.6
assign (resid    2 and name   H8) (resid    3 and name   H6)   4.9   0.8   0.6
assign (resid    2 and name  H1') (resid    3 and name  H5')   4.1   0.8   0.8
assign (resid    3 and name  H2') (resid    4 and name   H8)   3.2   0.4   0.4
assign (resid    3 and name H2'') (resid    4 and name   H8)   2.7   0.4   0.4
assign (resid    3 and name  H3') (resid    4 and name   H8)   4.2   0.5   0.5
assign (resid    3 and name  H1') (resid    4 and name   H8)   4.2   0.4   0.4
assign (resid    3 and name H2'') (resid    4 and name H5'')   3.0   0.4   0.4
assign (resid    3 and name  H1') (resid    4 and name H5'')   2.3   0.4   0.4
assign (resid    3 and name H2'') (resid    4 and name  H4')   4.7   1.0   0.8
assign (resid    3 and name   H6) (resid    4 and name   H8)   4.2   0.6   0.6
assign (resid    3 and name  H1') (resid    4 and name  H5')   3.4   1.2   1.2
assign (resid    3 and name H2'') (resid    4 and name  H5')   4.0   1.1   1.1
assign (resid    4 and name  H4') (resid    5 and name   H8)   3.3   0.4   0.4
assign (resid    4 and name  H2') (resid    5 and name   H8)   4.6   0.4   0.4
assign (resid    4 and name  H3') (resid    5 and name   H8)   4.5   0.4   0.4
assign (resid    4 and name  H1') (resid    5 and name   H8)   3.0   0.4   0.4
assign (resid    4 and name H5'') (resid    5 and name   H8)   5.0   0.8   0.5
assign (resid    4 and name H2'') (resid    5 and name   H8)   4.2   0.8   0.8
assign (resid    4 and name  H3') (resid    5 and name  H5')   3.5   0.6   0.6
assign (resid    5 and name H2'') (resid    6 and name  H4')   3.0   0.4   0.4
assign (resid    5 and name  H2') (resid    6 and name  H4')   2.9   0.5   0.5
assign (resid    5 and name   H2) (resid    6 and name  H4')   4.1   0.4   0.4
assign (resid    5 and name H2'') (resid    6 and name   H6)   3.3   0.4   0.4
assign (resid    5 and name  H2') (resid    6 and name   H6)   3.1   0.4   0.4
assign (resid    5 and name  H3') (resid    6 and name   H6)   2.4   0.4   0.4
assign (resid    5 and name  H3') (resid    6 and name   H5)   2.9   0.4   0.4
assign (resid    5 and name   H8) (resid    6 and name   H5)   4.0   0.4   0.4
assign (resid    5 and name  H2') (resid    6 and name   H5)   3.8   0.4   0.4
assign (resid    5 and name H2'') (resid    6 and name H5'')   2.9   0.4   0.4
assign (resid    5 and name  H2') (resid    6 and name H5'')   3.2   0.4   0.4
assign (resid    5 and name  H3') (resid    6 and name H5'')   4.8   2.0   0.6
assign (resid    5 and name   H2) (resid    6 and name  H1')   4.1   0.4   0.4
assign (resid    5 and name  H1') (resid    6 and name  H4')   3.9   0.6   0.6
assign (resid    5 and name  H1') (resid    6 and name   H6)   4.1   0.7   0.7
assign (resid    5 and name   H8) (resid    6 and name   H6)   4.5   0.6   0.6
assign (resid    5 and name  H3') (resid    6 and name  H2')   4.1   1.0   1.0
assign (resid    5 and name H2'') (resid    6 and name   H5)   4.2   0.6   0.6
assign (resid    5 and name  H3') (resid    6 and name  H5')   3.8   1.0   1.0
assign (resid    5 and name  H2') (resid    6 and name  H5')   4.0   0.6   0.6
assign (resid    5 and name H2'') (resid    6 and name  H5')   4.1   2.0   1.4
assign (resid    5 and name  H4') (resid    6 and name   H6)   4.8   1.4   0.7
assign (resid    6 and name H2'') (resid    7 and name  H4')   4.0   0.5   0.5
assign (resid    6 and name  H2') (resid    7 and name   H8)   3.1   0.4   0.4
assign (resid    6 and name H2'') (resid    7 and name   H8)   2.8   0.4   0.4
assign (resid    6 and name  H3') (resid    7 and name   H8)   3.3   0.4   0.4
assign (resid    6 and name H2'') (resid    7 and name H5'')   2.5   0.4   0.4
assign (resid    6 and name  H1') (resid    7 and name H5'')   2.5   0.4   0.4
assign (resid    6 and name  H2') (resid    7 and name  H4')   4.6   2.0   0.9
assign (resid    6 and name  H1') (resid    7 and name  H4')   4.2   0.8   0.8
assign (resid    6 and name H5'') (resid    7 and name   H8)   5.0   0.6   0.5
assign (resid    6 and name  H4') (resid    7 and name   H8)   5.1   0.6   0.6!
assign (resid    6 and name  H1') (resid    7 and name   H8)   4.9   1.0   0.6
assign (resid    6 and name   H6) (resid    7 and name   H8)   4.7   0.6   0.6
assign (resid    6 and name H2'') (resid    7 and name  H5')   4.0   2.0   1.5
assign (resid    7 and name  H4') (resid    8 and name   H8)   3.2   0.4   0.4
assign (resid    7 and name  H2') (resid    8 and name   H8)   4.4   0.4   0.4
assign (resid    7 and name H2'') (resid    8 and name   H8)   4.1   0.4   0.4
assign (resid    7 and name  H3') (resid    8 and name   H8)   4.4   0.4   0.4
assign (resid    7 and name  H1') (resid    8 and name   H8)   2.9   0.4   0.4
assign (resid    7 and name  H5') (resid    8 and name   H8)   5.1   0.8   0.4
assign (resid    7 and name  H4') (resid    8 and name H5'')   2.9   0.6   0.6
assign (resid    8 and name   H2) (resid    9 and name  H4')   4.3   0.4   0.4
assign (resid    8 and name H2'') (resid    9 and name   H6)   3.4   0.5   0.5
assign (resid    8 and name  H2') (resid    9 and name   H6)   2.7   0.4   0.4
assign (resid    8 and name  H3') (resid    9 and name   H6)   2.4   0.4   0.4
assign (resid    8 and name  H3') (resid    9 and name   H5)   2.9   0.4   0.4
assign (resid    8 and name   H8) (resid    9 and name   H5)   3.7   0.4   0.4
assign (resid    8 and name  H2') (resid    9 and name H5'')   2.7   0.4   0.4
assign (resid    8 and name   H2) (resid    9 and name  H1')   3.2   0.4   0.4
assign (resid    8 and name H2'') (resid    9 and name  H4')   3.6   0.6   0.6
assign (resid    8 and name  H2') (resid    9 and name  H4')   3.2   0.6   0.6
assign (resid    8 and name  H4') (resid    9 and name   H6)   4.6   0.7   0.7
assign (resid    8 and name  H1') (resid    9 and name   H6)   4.8   1.1   0.7
assign (resid    8 and name   H8) (resid    9 and name   H6)   4.4   0.6   0.6
assign (resid    8 and name   H2) (resid    9 and name  H2')   5.1   1.0   0.4
assign (resid    8 and name  H2') (resid    9 and name   H5)   4.0   0.6   0.6
assign (resid    8 and name H2'') (resid    9 and name H5'')   2.9   1.1   1.2
assign (resid    8 and name  H1') (resid    8 and name H5'')   3.8   0.8   0.8!
assign (resid    8 and name  H2') (resid    9 and name  H5')   4.0   2.0   1.5
assign (resid  101 and name H2'') (resid  102 and name  H5*)   3.5   0.4   0.4
assign (resid  101 and name  H1') (resid  102 and name  H5*)   3.5   0.9   0.9!
assign (resid  101 and name  H2') (resid  102 and name   H8)   3.8   0.6   0.6
assign (resid  101 and name H2'') (resid  102 and name   H8)   3.6   1.2   1.2
assign (resid  101 and name  H3') (resid  102 and name   H8)   4.3   0.6   0.6
assign (resid  101 and name  H1') (resid  102 and name   H8)   4.5   1.2   1.0
assign (resid  102 and name  H2') (resid  103 and name  H4')   4.2   0.4   0.4
assign (resid  102 and name H2'') (resid  103 and name   H6)   3.1   0.4   0.4
assign (resid  102 and name  H1') (resid  103 and name   H6)   4.0   0.4   0.4
assign (resid  102 and name  H2') (resid  103 and name   H6)   3.9   0.6   0.6
assign (resid  102 and name  H3') (resid  103 and name   H6)   3.2   0.4   0.4
assign (resid  102 and name  H3') (resid  103 and name   H5)   3.6   0.4   0.4
assign (resid  102 and name   H8) (resid  103 and name   H5)   4.0   0.4   0.4
assign (resid  102 and name H2'') (resid  103 and name   H5)   3.6   0.6   0.6
assign (resid  102 and name  H2') (resid  103 and name   H5)   3.7   0.4   0.4
assign (resid  102 and name  H1') (resid  103 and name H5'')   3.1   0.4   0.4
assign (resid  102 and name H2'') (resid  103 and name  H4')   5.2   1.0   0.3
assign (resid  102 and name  H1') (resid  103 and name  H4')   4.6   0.6   0.6
assign (resid  102 and name   H8) (resid  103 and name   H6)   4.9   0.8   0.6
assign (resid  102 and name  H1') (resid  103 and name  H5')   4.1   0.8   0.8
assign (resid  103 and name  H2') (resid  104 and name   H8)   3.2   0.4   0.4
assign (resid  103 and name H2'') (resid  104 and name   H8)   2.7   0.4   0.4
assign (resid  103 and name  H3') (resid  104 and name   H8)   4.2   0.5   0.5
assign (resid  103 and name  H1') (resid  104 and name   H8)   4.2   0.4   0.4
assign (resid  103 and name H2'') (resid  104 and name H5'')   3.0   0.4   0.4
assign (resid  103 and name  H1') (resid  104 and name H5'')   2.3   0.4   0.4
assign (resid  103 and name H2'') (resid  104 and name  H4')   4.7   1.0   0.8
assign (resid  103 and name   H6) (resid  104 and name   H8)   4.2   0.6   0.6
assign (resid  103 and name  H1') (resid  104 and name  H5')   3.4   1.2   1.2
assign (resid  103 and name H2'') (resid  104 and name  H5')   4.0   1.1   1.1
assign (resid  104 and name  H4') (resid  105 and name   H8)   3.3   0.4   0.4
assign (resid  104 and name  H2') (resid  105 and name   H8)   4.6   0.4   0.4
assign (resid  104 and name  H3') (resid  105 and name   H8)   4.5   0.4   0.4
assign (resid  104 and name  H1') (resid  105 and name   H8)   3.0   0.4   0.4
assign (resid  104 and name H5'') (resid  105 and name   H8)   5.0   0.8   0.5
assign (resid  104 and name H2'') (resid  105 and name   H8)   4.2   0.8   0.8
assign (resid  104 and name  H3') (resid  105 and name  H5')   3.5   0.6   0.6
assign (resid  105 and name H2'') (resid  106 and name  H4')   3.0   0.4   0.4
assign (resid  105 and name  H2') (resid  106 and name  H4')   2.9   0.5   0.5
assign (resid  105 and name   H2) (resid  106 and name  H4')   4.1   0.4   0.4
assign (resid  105 and name H2'') (resid  106 and name   H6)   3.3   0.4   0.4
assign (resid  105 and name  H2') (resid  106 and name   H6)   3.1   0.4   0.4
assign (resid  105 and name  H3') (resid  106 and name   H6)   2.4   0.4   0.4
assign (resid  105 and name  H3') (resid  106 and name   H5)   2.9   0.4   0.4
assign (resid  105 and name   H8) (resid  106 and name   H5)   4.0   0.4   0.4
assign (resid  105 and name  H2') (resid  106 and name   H5)   3.8   0.4   0.4
assign (resid  105 and name H2'') (resid  106 and name H5'')   2.9   0.4   0.4
assign (resid  105 and name  H2') (resid  106 and name H5'')   3.2   0.4   0.4
assign (resid  105 and name  H3') (resid  106 and name H5'')   4.8   2.0   0.6
assign (resid  105 and name   H2) (resid  106 and name  H1')   4.1   0.4   0.4
assign (resid  105 and name  H1') (resid  106 and name  H4')   3.9   0.6   0.6
assign (resid  105 and name  H1') (resid  106 and name   H6)   4.1   0.7   0.7
assign (resid  105 and name   H8) (resid  106 and name   H6)   4.5   0.6   0.6
assign (resid  105 and name  H3') (resid  106 and name  H2')   4.1   1.0   1.0
assign (resid  105 and name H2'') (resid  106 and name   H5)   4.2   0.6   0.6
assign (resid  105 and name  H3') (resid  106 and name  H5')   3.8   1.0   1.0
assign (resid  105 and name  H2') (resid  106 and name  H5')   4.0   0.6   0.6
assign (resid  105 and name H2'') (resid  106 and name  H5')   4.1   2.0   1.4
assign (resid  105 and name  H4') (resid  106 and name   H6)   4.8   1.4   0.7
assign (resid  106 and name H2'') (resid  107 and name  H4')   4.0   0.5   0.5
assign (resid  106 and name  H2') (resid  107 and name  H4')   4.6   2.0   0.9
assign (resid  106 and name  H2') (resid  107 and name   H8)   3.1   0.4   0.4
assign (resid  106 and name H2'') (resid  107 and name   H8)   2.8   0.4   0.4
assign (resid  106 and name  H3') (resid  107 and name   H8)   3.3   0.4   0.4
assign (resid  106 and name H2'') (resid  107 and name H5'')   2.5   0.4   0.4
assign (resid  106 and name  H1') (resid  107 and name H5'')   2.5   0.4   0.4
assign (resid  106 and name  H1') (resid  107 and name  H4')   4.2   0.8   0.8
assign (resid  106 and name H5'') (resid  107 and name   H8)   5.0   0.6   0.5
assign (resid  106 and name  H4') (resid  107 and name   H8)   5.1   0.6   0.6!
assign (resid  106 and name  H1') (resid  107 and name   H8)   4.9   1.0   0.6
assign (resid  106 and name   H6) (resid  107 and name   H8)   4.7   0.6   0.6
assign (resid  106 and name H2'') (resid  107 and name  H5')   4.0   2.0   1.5
assign (resid  107 and name  H4') (resid  108 and name   H8)   3.2   0.4   0.4
assign (resid  107 and name  H2') (resid  108 and name   H8)   4.4   0.4   0.4
assign (resid  107 and name H2'') (resid  108 and name   H8)   4.1   0.4   0.4
assign (resid  107 and name  H3') (resid  108 and name   H8)   4.4   0.4   0.4
assign (resid  107 and name  H1') (resid  108 and name   H8)   2.9   0.4   0.4
assign (resid  107 and name  H5') (resid  108 and name   H8)   5.1   0.8   0.4
assign (resid  107 and name  H4') (resid  108 and name H5'')   2.9   0.6   0.6
assign (resid  108 and name   H2) (resid  109 and name  H4')   4.3   0.4   0.4
assign (resid  108 and name H2'') (resid  109 and name   H6)   3.4   0.5   0.5
assign (resid  108 and name  H2') (resid  109 and name   H6)   2.7   0.4   0.4
assign (resid  108 and name  H3') (resid  109 and name   H6)   2.4   0.4   0.4
assign (resid  108 and name  H3') (resid  109 and name   H5)   2.9   0.4   0.4
assign (resid  108 and name   H8) (resid  109 and name   H5)   3.7   0.4   0.4
assign (resid  108 and name  H2') (resid  109 and name H5'')   2.7   0.4   0.4
assign (resid  108 and name   H2) (resid  109 and name  H1')   3.2   0.4   0.4
assign (resid  108 and name H2'') (resid  109 and name  H4')   3.6   0.6   0.6
assign (resid  108 and name  H2') (resid  109 and name  H4')   3.2   0.6   0.6
assign (resid  108 and name  H4') (resid  109 and name   H6)   4.6   0.8   0.8
assign (resid  108 and name  H1') (resid  109 and name   H6)   4.8   1.1   0.7
assign (resid  108 and name   H8) (resid  109 and name   H6)   4.4   0.6   0.6
assign (resid  108 and name   H2) (resid  109 and name  H2')   5.1   1.0   0.4
assign (resid  108 and name  H2') (resid  109 and name   H5)   4.0   0.6   0.6
assign (resid  108 and name H2'') (resid  109 and name H5'')   2.9   1.1   1.2
assign (resid  108 and name  H1') (resid  108 and name H5'')   3.8   0.8   0.8!
assign (resid  108 and name  H2') (resid  109 and name  H5')   4.0   2.0   1.5

remark   TBL constraint table file                cross_mardii        
remark 
assign (resid    1 and name  H1') (resid  102 and name   H2)   4.7   1.0   0.8
assign (resid    1 and name H2'') (resid  102 and name   H2)   4.4   0.6   0.6
assign (resid    2 and name   H2) (resid  101 and name H2'')   4.4   0.6   0.6
assign (resid    2 and name   H2) (resid  101 and name  H1')   4.7   1.0   0.8
assign (resid    4 and name H2'') (resid  105 and name   H2)   4.3   0.4   0.4
assign (resid    4 and name  H1') (resid  105 and name   H2)   4.7   0.6   0.6
assign (resid    4 and name   H8) (resid  105 and name   H2)   3.9   0.6   0.6
assign (resid    4 and name  H2') (resid  105 and name   H2)   4.7   0.6   0.6
assign (resid    5 and name   H2) (resid  104 and name H2'')   4.3   0.4   0.4
assign (resid    5 and name   H2) (resid  104 and name   H8)   3.9   0.6   0.6
assign (resid    5 and name   H2) (resid  104 and name  H2')   4.7   0.6   0.6
assign (resid    5 and name   H2) (resid  104 and name  H1')   4.7   0.6   0.6
assign (resid    7 and name   H8) (resid  108 and name   H2)   3.2   1.0   1.0
assign (resid    7 and name H2'') (resid  108 and name   H2)   5.0   0.6   0.5
assign (resid    7 and name  H2') (resid  108 and name   H2)   4.7   0.6   0.6
assign (resid    8 and name   H2) (resid  107 and name H2'')   5.0   0.6   0.5
assign (resid    8 and name   H2) (resid  107 and name   H8)   3.2   1.0   1.0
assign (resid    8 and name   H2) (resid  107 and name  H2')   4.7   0.6   0.6

remarks glycosidic angles
remarks the values are estimated from the 50 ms NOESY
remarks no syn conformation, large error bars are given to allow motions
assi(resid   1 and name C4 )(resid   1 and name N9 )
    (resid   1 and name C1')(resid   1 and name O4')  1  -120.00   60.0  2
assi(resid   2 and name C4 )(resid   2 and name N9 )
    (resid   2 and name C1')(resid   2 and name O4')  1  -120.00   60.0  2
assi(resid   3 and name C2 )(resid   3 and name N1 )
    (resid   3 and name C1')(resid   3 and name O4')  1  -120.00   60.0  2
remark  special strong NOE from H8 to H2'/2''
assi(resid   4 and name C4 )(resid   4 and name N9 )
    (resid   4 and name C1')(resid   4 and name O4')  1  -100.00   60.0  2
assi(resid   5 and name C4 )(resid   5 and name N9 )
    (resid   5 and name C1')(resid   5 and name O4')  1  -120.00   60.0  2
assi(resid   6 and name C2 )(resid   6 and name N1 )
    (resid   6 and name C1')(resid   6 and name O4')  1  -120.00   60.0  2
assi(resid   7 and name C4 )(resid   7 and name N9 )
    (resid   7 and name C1')(resid   7 and name O4')  1  -120.00   60.0  2
assi(resid   8 and name C4 )(resid   8 and name N9 )
    (resid   8 and name C1')(resid   8 and name O4')  1  -120.00   60.0  2
assi(resid   9 and name C2 )(resid   9 and name N1 )
    (resid   9 and name C1')(resid   9 and name O4')  1  -120.00   60.0  2
assi(resid 101 and name C4 )(resid 101 and name N9 )
    (resid 101 and name C1')(resid 101 and name O4')  1  -120.00   60.0  2
assi(resid 102 and name C4 )(resid 102 and name N9 )
    (resid 102 and name C1')(resid 102 and name O4')  1  -120.00   60.0  2
assi(resid 103 and name C2 )(resid 103 and name N1 )
    (resid 103 and name C1')(resid 103 and name O4')  1  -120.00   60.0  2
remark  special strong NOE from H8 to H2'/2''
assi(resid 104 and name C4 )(resid 104 and name N9 )
    (resid 104 and name C1')(resid 104 and name O4')  1  -100.00   60.0  2
assi(resid 105 and name C4 )(resid 105 and name N9 )
    (resid 105 and name C1')(resid 105 and name O4')  1  -120.00   60.0  2
assi(resid 106 and name C2 )(resid 106 and name N1 )
    (resid 106 and name C1')(resid 106 and name O4')  1  -120.00   60.0  2
assi(resid 107 and name C4 )(resid 107 and name N9 )
    (resid 107 and name C1')(resid 107 and name O4')  1  -120.00   60.0  2
assi(resid 108 and name C4 )(resid 108 and name N9 )
    (resid 108 and name C1')(resid 108 and name O4')  1  -120.00   60.0  2
assi(resid 109 and name C2 )(resid 109 and name N1 )
    (resid 109 and name C1')(resid 109 and name O4')  1  -120.00   60.0  2

remark gama angles
assi(resid   1 and name O5')(resid   1 and name C5')
    (resid   1 and name C4')(resid   1 and name C3')  1    65.00   30.0  2
assi(resid   2 and name O5')(resid   2 and name C5')
    (resid   2 and name C4')(resid   2 and name C3')  1   180.00   30.0  2
assi(resid   3 and name O5')(resid   3 and name C5')
    (resid   3 and name C4')(resid   3 and name C3')  1   180.00   30.0  2
assi(resid   4 and name O5')(resid   4 and name C5')
    (resid   4 and name C4')(resid   4 and name C3')  1    65.00   30.0  2
assi(resid   5 and name O5')(resid   5 and name C5')
    (resid   5 and name C4')(resid   5 and name C3')  1   180.00   30.0  2
assi(resid   6 and name O5')(resid   6 and name C5')
    (resid   6 and name C4')(resid   6 and name C3')  1   180.00   30.0  2
assi(resid   7 and name O5')(resid   7 and name C5')
    (resid   7 and name C4')(resid   7 and name C3')  1    65.00   30.0  2
assi(resid   8 and name O5')(resid   8 and name C5')
    (resid   8 and name C4')(resid   8 and name C3')  1   180.00   30.0  2
assi(resid   9 and name O5')(resid   9 and name C5')
    (resid   9 and name C4')(resid   9 and name C3')  1   180.00   30.0  2
assi(resid 101 and name O5')(resid 101 and name C5')
    (resid 101 and name C4')(resid 101 and name C3')  1    65.00   30.0  2
assi(resid 102 and name O5')(resid 102 and name C5')
    (resid 102 and name C4')(resid 102 and name C3')  1   180.00   30.0  2
assi(resid 103 and name O5')(resid 103 and name C5')
    (resid 103 and name C4')(resid 103 and name C3')  1   180.00   30.0  2
assi(resid 104 and name O5')(resid 104 and name C5')
    (resid 104 and name C4')(resid 104 and name C3')  1    65.00   30.0  2
assi(resid 105 and name O5')(resid 105 and name C5')
    (resid 105 and name C4')(resid 105 and name C3')  1   180.00   30.0  2
assi(resid 106 and name O5')(resid 106 and name C5')
    (resid 106 and name C4')(resid 106 and name C3')  1   180.00   30.0  2
assi(resid 107 and name O5')(resid 107 and name C5')
    (resid 107 and name C4')(resid 107 and name C3')  1    65.00   30.0  2
assi(resid 108 and name O5')(resid 108 and name C5')
    (resid 108 and name C4')(resid 108 and name C3')  1   180.00   30.0  2
assi(resid 109 and name O5')(resid 109 and name C5')
    (resid 109 and name C4')(resid 109 and name C3')  1   180.00   30.0  2

remark betta angle
remark special g+ conformations for all C's(2d 31P data)
assi(resid   3 and name P  )(resid   3 and name O5')
    (resid   3 and name C5')(resid   3 and name C4')  1  -120.00   10.0  2
assi(resid   6 and name P  )(resid   6 and name O5')
    (resid   6 and name C5')(resid   6 and name C4')  1  -120.00   10.0  2
assi(resid   9 and name P  )(resid   9 and name O5')
    (resid   9 and name C5')(resid   9 and name C4')  1  -120.00   10.0  2
end
 

  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          H5''        G   1  15.394  -5.623   4.597
    2   2H5*    G   1          H5'         G   1  14.161  -5.287   5.829
    3    H4*    G   1           H4'        G   1  14.950  -3.203   4.860
    4    H3*    G   1           H3'        G   1  12.218  -4.034   4.880
    5    H1*    G   1           H1'        G   1  13.902  -1.902   2.132
    6    H8     G   1           H8         G   1  12.903  -5.514   1.041
    7    H1     G   1           H1         G   1  14.011  -1.463  -3.741
    8   1H2     G   1          H21         G   1  14.465   0.552  -2.941
    9   2H2     G   1          H22         G   1  14.486   0.891  -1.220
   10    H5T    G   1           H5T        G   1  13.313  -6.884   4.648
   11   1H2*    G   1          H2'         G   1  11.756  -3.881   2.670
   12   2H2*    G   1          H2''        G   1  11.805  -2.114   2.952
   13   1H5*    A   2          H5''        A   2  11.556  -0.194   6.731
   14   2H5*    A   2          H5'         A   2  11.451  -0.346   4.967
   15    H4*    A   2           H4'        A   2  11.417   2.205   6.613
   16    H3*    A   2           H3'        A   2   9.384   0.508   5.423
   17    H1*    A   2           H1'        A   2  10.529   3.971   3.829
   18    H8     A   2           H8         A   2  10.713   0.371   2.674
   19   1H6     A   2          H61         A   2   9.605   2.520  -2.966
   20   2H6     A   2          H62         A   2   9.828   1.075  -2.006
   21    H2     A   2           H2         A   2   9.940   5.956  -0.122
   22   1H2*    A   2          H2'         A   2   8.945   1.685   3.517
   23   2H2*    A   2          H2''        A   2   8.674   3.069   4.535
   24   1H5*    C   3          H5''        C   3   7.993   6.290   5.829
   25   2H5*    C   3          H5'         C   3   7.027   4.884   6.046
   26    H4*    C   3           H4'        C   3   7.630   6.466   3.656
   27    H3*    C   3           H3'        C   3   5.365   5.593   5.050
   28    H1*    C   3           H1'        C   3   6.405   4.271   1.508
   29   1H4     C   3          H41         C   3   6.922  -2.081   3.236
   30   2H4     C   3          H42         C   3   7.227  -2.006   1.513
   31    H5     C   3           H5         C   3   6.461  -0.099   4.571
   32    H6     C   3           H6         C   3   6.270   2.347   4.574
   33   1H2*    C   3          H2'         C   3   5.103   3.562   4.101
   34   2H2*    C   3          H2''        C   3   4.496   4.453   2.730
   35   1H5*    G   4          H5''        G   4   5.372   4.775  -0.630
   36   2H5*    G   4          H5'         G   4   4.718   6.417  -0.792
   37    H4*    G   4           H4'        G   4   3.147   4.821  -1.734
   38    H3*    G   4           H3'        G   4   2.551   6.632   0.324
   39    H1*    G   4           H1'        G   4   1.219   2.911   0.374
   40    H8     G   4           H8         G   4   2.086   4.453   3.485
   41    H1     G   4           H1         G   4   4.222  -1.539   3.410
   42   1H2     G   4          H21         G   4   4.268  -2.277   1.327
   43   2H2     G   4          H22         G   4   3.747  -1.297  -0.026
   44   1H2*    G   4          H2'         G   4   1.859   5.314   1.961
   45   2H2*    G   4          H2''        G   4   0.436   4.961   0.968
   46   1H5*    A   5          H5''        A   5  -0.789   6.343  -3.849
   47   2H5*    A   5          H5'         A   5  -0.259   5.202  -2.604
   48    H4*    A   5           H4'        A   5   0.047   4.900  -5.617
   49    H3*    A   5           H3'        A   5  -1.746   3.558  -3.613
   50    H1*    A   5           H1'        A   5   0.912   1.689  -5.581
   51    H8     A   5           H8         A   5   0.374   2.659  -2.050
   52   1H6     A   5          H61         A   5  -0.930  -3.234  -0.749
   53   2H6     A   5          H62         A   5  -0.710  -1.636  -0.067
   54    H2     A   5           H2         A   5  -0.354  -2.849  -5.185
   55   1H2*    A   5          H2'         A   5  -1.710   1.633  -4.925
   56   2H2*    A   5          H2''        A   5  -1.068   2.502  -6.306
   57   1H5*    C   6          H5''        C   6  -3.713   2.085  -8.480
   58   2H5*    C   6          H5'         C   6  -4.207   2.649  -6.917
   59    H4*    C   6           H4'        C   6  -2.758   0.087  -7.647
   60    H3*    C   6           H3'        C   6  -5.444   0.850  -7.378
   61    H1*    C   6           H1'        C   6  -3.491  -1.090  -4.564
   62   1H4     C   6          H41         C   6  -3.676   3.741  -0.021
   63   2H4     C   6          H42         C   6  -3.543   2.229   0.851
   64    H5     C   6           H5         C   6  -3.853   3.860  -2.436
   65    H6     C   6           H6         C   6  -3.972   2.548  -4.501
   66   1H2*    C   6          H2'         C   6  -5.648   0.849  -5.133
   67   2H2*    C   6          H2''        C   6  -5.641  -0.915  -5.271
   68   1H5*    G   7          H5''        G   7  -5.343  -3.058  -4.092
   69   2H5*    G   7          H5'         G   7  -5.888  -4.393  -5.131
   70    H4*    G   7           H4'        G   7  -7.653  -4.231  -3.662
   71    H3*    G   7           H3'        G   7  -8.030  -2.895  -6.181
   72    H1*    G   7           H1'        G   7  -9.312  -1.307  -2.754
   73    H8     G   7           H8         G   7  -8.155   0.358  -5.797
   74    H1     G   7           H1         G   7  -6.385   3.591  -0.609
   75   1H2     G   7          H21         G   7  -6.635   2.322   1.185
   76   2H2     G   7          H22         G   7  -7.245   0.685   1.097
   77   1H2*    G   7          H2'         G   7  -9.075  -1.055  -5.628
   78   2H2*    G   7          H2''        G   7 -10.263  -1.937  -4.700
   79   1H5*    A   8          H5''        A   8  -9.318  -7.615  -3.089
   80   2H5*    A   8          H5'         A   8 -10.726  -6.697  -2.554
   81    H4*    A   8           H4'        A   8  -8.233  -7.421  -1.182
   82    H3*    A   8           H3'        A   8 -11.086  -6.890  -0.602
   83    H1*    A   8           H1'        A   8  -8.002  -5.234   1.096
   84    H8     A   8           H8         A   8  -9.651  -3.344  -1.379
   85   1H6     A   8          H61         A   8 -11.735   0.545   2.959
   86   2H6     A   8          H62         A   8 -11.452   0.342   1.244
   87    H2     A   8           H2         A   8 -10.327  -3.215   4.972
   88   1H2*    A   8          H2'         A   8 -10.735  -5.971   1.404
   89   2H2*    A   8          H2''        A   8  -9.278  -6.918   1.718
   90   1H5*    C   9          H5''        C   9 -12.839  -8.694   2.092
   91   2H5*    C   9          H5'         C   9 -11.923  -7.701   0.991
   92    H4*    C   9           H4'        C   9 -12.116  -6.884   3.880
   93    H3*    C   9           H3'        C   9 -14.344  -6.889   1.871
   94    H1*    C   9           H1'        C   9 -12.500  -3.700   3.167
   95   1H4     C   9          H41         C   9 -13.588  -2.421  -3.252
   96   2H4     C   9          H42         C   9 -14.036  -0.962  -2.392
   97    H5     C   9           H5         C   9 -12.905  -4.462  -2.129
   98    H6     C   9           H6         C   9 -12.519  -5.506   0.026
   99   1H2*    C   9          H2'         C   9 -14.964  -4.739   2.303
  100   2H2*    C   9          H2''        C   9 -14.321  -4.776   3.969
  101   1H5*    G 101          H5''        G 101  15.009   6.309  -5.077
  102   2H5*    G 101          H5'         G 101  13.770   5.913  -6.285
  103    H4*    G 101           H4'        G 101  14.678   3.871  -5.333
  104    H3*    G 101           H3'        G 101  11.909   4.568  -5.299
  105    H1*    G 101           H1'        G 101  13.748   2.522  -2.586
  106    H8     G 101           H8         G 101  12.596   6.081  -1.473
  107    H1     G 101           H1         G 101  13.992   2.091   3.284
  108   1H2     G 101          H21         G 101  14.529   0.100   2.475
  109   2H2     G 101          H22         G 101  14.533  -0.238   0.753
  110    H5T    G 101           H5T        G 101  12.869   7.468  -5.087
  111   1H2*    G 101          H2'         G 101  11.498   4.394  -3.081
  112   2H2*    G 101          H2''        G 101  11.628   2.631  -3.364
  113   1H5*    A 102          H5''        A 102  11.399   0.700  -7.139
  114   2H5*    A 102          H5'         A 102  11.321   0.847  -5.373
  115    H4*    A 102           H4'        A 102  11.382  -1.703  -7.019
  116    H3*    A 102           H3'        A 102   9.289  -0.109  -5.796
  117    H1*    A 102           H1'        A 102  10.633  -3.508  -4.220
  118    H8     A 102           H8         A 102  10.664   0.096  -3.067
  119   1H6     A 102          H61         A 102   9.772  -2.102   2.593
  120   2H6     A 102          H62         A 102   9.905  -0.649   1.629
  121    H2     A 102           H2         A 102  10.218  -5.519  -0.259
  122   1H2*    A 102          H2'         A 102   8.945  -1.303  -3.878
  123   2H2*    A 102          H2''        A 102   8.723  -2.700  -4.890
  124   1H5*    C 103          H5''        C 103   8.178  -5.918  -6.184
  125   2H5*    C 103          H5'         C 103   7.114  -4.577  -6.363
  126    H4*    C 103           H4'        C 103   7.874  -6.155  -4.004
  127    H3*    C 103           H3'        C 103   5.533  -5.388  -5.338
  128    H1*    C 103           H1'        C 103   6.572  -4.010  -1.817
  129   1H4     C 103          H41         C 103   6.748   2.360  -3.553
  130   2H4     C 103          H42         C 103   7.090   2.301  -1.837
  131    H5     C 103           H5         C 103   6.358   0.358  -4.880
  132    H6     C 103           H6         C 103   6.286  -2.094  -4.880
  133   1H2*    C 103          H2'         C 103   5.191  -3.368  -4.385
  134   2H2*    C 103          H2''        C 103   4.655  -4.286  -3.002
  135   1H5*    G 104          H5''        G 104   5.609  -4.561   0.338
  136   2H5*    G 104          H5'         G 104   5.039  -6.233   0.513
  137    H4*    G 104           H4'        G 104   3.411  -4.715   1.486
  138    H3*    G 104           H3'        G 104   2.864  -6.554  -0.561
  139    H1*    G 104           H1'        G 104   1.351  -2.903  -0.583
  140    H8     G 104           H8         G 104   2.232  -4.402  -3.712
  141    H1     G 104           H1         G 104   4.075   1.687  -3.675
  142   1H2     G 104          H21         G 104   4.125   2.427  -1.592
  143   2H2     G 104          H22         G 104   3.679   1.424  -0.230
  144   1H2*    G 104          H2'         G 104   2.076  -5.272  -2.184
  145   2H2*    G 104          H2''        G 104   0.658  -4.988  -1.163
  146   1H5*    A 105          H5''        A 105  -0.404  -6.426   3.677
  147   2H5*    A 105          H5'         A 105   0.045  -5.261   2.422
  148    H4*    A 105           H4'        A 105   0.396  -4.943   5.429
  149    H3*    A 105           H3'        A 105  -1.502  -3.695   3.461
  150    H1*    A 105           H1'        A 105   1.101  -1.694   5.377
  151    H8     A 105           H8         A 105   0.542  -2.691   1.857
  152   1H6     A 105          H61         A 105  -1.072   3.131   0.584
  153   2H6     A 105          H62         A 105  -0.788   1.546  -0.103
  154    H2     A 105           H2         A 105  -0.392   2.777   5.008
  155   1H2*    A 105          H2'         A 105  -1.533  -1.768   4.771
  156   2H2*    A 105          H2''        A 105  -0.822  -2.602   6.140
  157   1H5*    C 106          H5''        C 106  -3.437  -2.328   8.356
  158   2H5*    C 106          H5'         C 106  -3.944  -2.901   6.799
  159    H4*    C 106           H4'        C 106  -2.601  -0.273   7.525
  160    H3*    C 106           H3'        C 106  -5.253  -1.163   7.301
  161    H1*    C 106           H1'        C 106  -3.452   0.868   4.448
  162   1H4     C 106          H41         C 106  -3.489  -3.969  -0.093
  163   2H4     C 106          H42         C 106  -3.447  -2.454  -0.967
  164    H5     C 106           H5         C 106  -3.613  -4.096   2.324
  165    H6     C 106           H6         C 106  -3.755  -2.790   4.391
  166   1H2*    C 106          H2'         C 106  -5.498  -1.174   5.059
  167   2H2*    C 106          H2''        C 106  -5.576   0.588   5.196
  168   1H5*    G 107          H5''        G 107  -5.405   2.742   4.013
  169   2H5*    G 107          H5'         G 107  -5.995   4.050   5.063
  170    H4*    G 107           H4'        G 107  -7.777   3.801   3.628
  171    H3*    G 107           H3'        G 107  -8.041   2.450   6.153
  172    H1*    G 107           H1'        G 107  -9.309   0.799   2.751
  173    H8     G 107           H8         G 107  -8.013  -0.806   5.770
  174    H1     G 107           H1         G 107  -6.190  -3.952   0.547
  175   1H2     G 107          H21         G 107  -6.537  -2.697  -1.241
  176   2H2     G 107          H22         G 107  -7.223  -1.092  -1.141
  177   1H2*    G 107          H2'         G 107  -9.004   0.561   5.620
  178   2H2*    G 107          H2''        G 107 -10.253   1.383   4.716
  179   1H5*    A 108          H5''        A 108  -9.616   7.100   3.090
  180   2H5*    A 108          H5'         A 108 -10.988   6.114   2.581
  181    H4*    A 108           H4'        A 108  -8.560   6.958   1.162
  182    H3*    A 108           H3'        A 108 -11.394   6.290   0.637
  183    H1*    A 108           H1'        A 108  -8.267   4.784  -1.122
  184    H8     A 108           H8         A 108  -9.774   2.817   1.384
  185   1H6     A 108          H61         A 108 -11.750  -1.171  -2.915
  186   2H6     A 108          H62         A 108 -11.444  -0.954  -1.206
  187    H2     A 108           H2         A 108 -10.567   2.652  -4.952
  188   1H2*    A 108          H2'         A 108 -11.038   5.388  -1.376
  189   2H2*    A 108          H2''        A 108  -9.636   6.404  -1.718
  190   1H5*    C 109          H5''        C 109 -13.268   8.010  -2.020
  191   2H5*    C 109          H5'         C 109 -12.300   7.047  -0.933
  192    H4*    C 109           H4'        C 109 -12.516   6.235  -3.826
  193    H3*    C 109           H3'        C 109 -14.698   6.129  -1.772
  194    H1*    C 109           H1'        C 109 -12.727   3.032  -3.107
  195   1H4     C 109          H41         C 109 -13.624   1.704   3.332
  196   2H4     C 109          H42         C 109 -14.017   0.225   2.481
  197    H5     C 109           H5         C 109 -13.063   3.775   2.197
  198    H6     C 109           H6         C 109 -12.771   4.836   0.036
  199    H3T    C 109           H3T        C 109 -14.874   7.403  -3.692
  200   1H2*    C 109          H2'         C 109 -15.220   3.949  -2.194
  201   2H2*    C 109          H2''        C 109 -14.613   4.018  -3.872