*HEADER    RNA                                     10-MAR-06   2GBH              
*TITLE     NMR STRUCTURE OF STEM REGION OF HELIX-35 OF 23S E.COLI                
*TITLE    2 RIBOSOMAL RNA (RESIDUES 736-760)                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-R(*(GMP)P*GP*GP*CP*UP*AP*AP*UP*GP*(PSU)                 
*COMPND   3 P*UP*GP*AP*AP*AP*AP*AP*UP*UP*AP*GP*CP*CP*C)-3';                      
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 OTHER_DETAILS: STEM REGION OF HELIX-35 (PSI746) OF E. COLI           
*COMPND   7 23S RIBOSOMAL RNA                                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THIS RNA NATURALLY EXISTS             
*SOURCE   4 IN 23S RIBOSOMAL RNA OF E.COLI.                                      
*KEYWDS    NMR, RDC, RCSA                                                        
*EXPDTA    NMR, 5 STRUCTURES                                                     
*AUTHOR    A.BAX, J.BOISBOUVIER, D.BRYCE, A.GRISHAEV, C.JARONIEC,                
*AUTHOR   2 E.MICLET, E.NIKONOVICZ, E.O'NEIL-CABELLO, J.YING                     
*REVDAT   1   11-APR-06 2GBH    0                                                


! NOE distance restraints

assign ( resid  1  and  name  H1' )  ( resid  2  and  name    H8   )       4.42    2.21    2.21
assign ( resid  2  and  name  H2'' )  ( resid  2  and  name    H8   )      4.61    2.31    2.31
assign ( resid  2  and  name  H2'' )  ( resid  3  and  name    H8   )      2.52    1.26    1.26
assign ( resid  2  and  name  H2'' )  ( resid  3  and  name   H1'   )      4.45    2.23    2.23
assign ( resid  2  and  name  H3' )  ( resid  2  and  name    H8   )       4.00    2.00    2.00
assign ( resid  2  and  name  H3' )  ( resid  3  and  name    H8   )       4.35    2.18    2.18
assign ( resid  3  and  name   H8 )  ( resid  4  and  name    H5   )       4.31    2.16    2.16
assign ( resid  3  and  name  H1' )  ( resid  4  and  name    H6   )       3.93    1.97    1.97
assign ( resid  3  and  name  H2'' )  ( resid  4  and  name    H5   )      3.72    1.86    1.86
assign ( resid  3  and  name  H3' )  ( resid  3  and  name    H8   )       3.92    1.96    1.96
assign ( resid  3  and  name  H3' )  ( resid  4  and  name    H5   )       4.81    2.41    2.41
assign ( resid  3  and  name  H3' )  ( resid  4  and  name    H6   )       4.03    2.02    2.02
assign ( resid  4  and  name   H5 )  ( resid  4  and  name    H6   )       2.48    1.24    1.24
assign ( resid  4  and  name   H6 )  ( resid  5  and  name    H6   )       4.20    2.10    2.10
assign ( resid  4  and  name  H2'' )  ( resid  4  and  name    H6   )      3.91    1.96    1.96
assign ( resid  4  and  name  H2'' )  ( resid  5  and  name    H6   )      2.42    1.21    1.21
assign ( resid  4  and  name  H3' )  ( resid  5  and  name    H6   )       4.07    2.04    2.04
assign ( resid  5  and  name   H5 )  ( resid  5  and  name    H6   )       2.44    1.22    1.22
assign ( resid  5  and  name   H6 )  ( resid  6  and  name    H8   )       4.31    2.16    2.16
assign ( resid  5  and  name  H2'' )  ( resid  6  and  name    H8   )      2.41    1.21    1.21
assign ( resid  6  and  name   H2 )  ( resid  7   and  name    H2   )      4.32    2.16    2.16
assign ( resid  6  and  name   H2 )  ( resid  20  and  name    H2   )      3.67    1.84    1.84
assign ( resid  6  and  name   H2 )  ( resid  7   and  name   H1'   )      3.19    1.60    1.60
assign ( resid  6  and  name   H2 )  ( resid  20  and  name   H1'   )      3.48    1.74    1.74
assign ( resid  6  and  name   H8 )  ( resid  7   and  name    H8   )      3.99    2.00    2.00
assign ( resid  6  and  name  H1' )  ( resid  20  and  name    H2   )      3.25    1.63    1.63
assign ( resid  6  and  name  H2'' )  ( resid  7   and  name    H8   )     2.41    1.21    1.21
assign ( resid  6  and  name  H3' )  ( resid  7   and  name    H8   )      3.93    1.97    1.97
assign ( resid  7   and  name   H2 )  ( resid  8  and  name   H1'   )      3.08    1.54    1.54
assign ( resid  7   and  name   H2 )  ( resid  19  and  name   H1'   )     2.92    1.46    1.46
assign ( resid  7   and  name   H8 )  ( resid  8  and  name    H5   )      4.70    2.35    2.35
assign ( resid  7   and  name  H1' )  ( resid  8  and  name    H6   )      3.88    1.94    1.94
assign ( resid  7   and  name  H2'' )  ( resid  8  and  name    H5   )     3.90    1.95    1.95
assign ( resid  7   and  name  H2'' )  ( resid  8  and  name    H6   )     2.55    1.28    1.28
assign ( resid  7   and  name  H3' )  ( resid  7   and  name    H8   )     3.48    1.74    1.74
assign ( resid  7   and  name  H3' )  ( resid  8  and  name    H5   )      4.71    2.36    2.36
assign ( resid  7   and  name  H3' )  ( resid  8  and  name    H6   )      3.99    2.00    2.00
assign ( resid  8  and  name   H5 )  ( resid  8  and  name    H6   )       2.45    1.23    1.23
assign ( resid  8  and  name  H3' )  ( resid  8  and  name    H6   )       3.45    1.73    1.73
assign ( resid  8  and  name  H4' )  ( resid  8  and  name    H6   )       4.22    2.11    2.11
assign ( resid  17  and  name   H2 )  ( resid  18  and  name   H1'   )    2.99    1.50    1.50
assign ( resid  17  and  name   H8 )  ( resid  18  and  name    H5   )    4.56    2.28    2.28
assign ( resid  17  and  name  H1' )  ( resid  18  and  name    H6   )    4.01    2.01    2.01
assign ( resid  17  and  name  H3' )  ( resid  17  and  name    H8   )     3.46    1.73    1.73
assign ( resid  17  and  name  H3' )  ( resid  18  and  name    H5   )     3.81    1.91    1.91
assign ( resid  17  and  name  H3' )  ( resid  18  and  name    H6   )     3.31    1.66    1.66
assign ( resid  18  and  name   H5 )  ( resid  18  and  name    H6   )     2.44    1.22    1.22
assign ( resid  18  and  name   H5 )  ( resid  19  and  name    H5   )     4.17    2.09    2.09
assign ( resid  18  and  name   H6 )  ( resid  19  and  name    H6   )     4.40    2.20    2.20
assign ( resid  18  and  name  H1' )  ( resid  19  and  name    H6   )     4.13    2.07    2.07
assign ( resid  18  and  name  H3' )  ( resid  19  and  name    H6   )     3.89    1.95    1.95
assign ( resid  18  and  name  H4' )  ( resid  18  and  name    H6   )     4.38    2.19    2.19
assign ( resid  19  and  name   H5 )  ( resid  19  and  name    H6   )     2.52    1.26    1.26
assign ( resid  19  and  name  H1' )  ( resid  20  and  name   H1'   )     4.10    2.05    2.05
assign ( resid  19  and  name  H2'' )  ( resid  19  and  name    H6   )    3.34    1.67    1.67
assign ( resid  19  and  name  H2'' )  ( resid  20  and  name    H8   )    2.37    1.19    1.19
assign ( resid  19  and  name  H2'' )  ( resid  20  and  name   H1'   )    4.56    2.28    2.28
assign ( resid  19  and  name  H3' )  ( resid  19  and  name    H6   )     3.23    1.62    1.62
assign ( resid  20  and  name   H2 )  ( resid  21  and  name   H1'   )     3.16    1.58    1.58
assign ( resid  20  and  name   H8 )  ( resid  21  and  name    H8   )     3.99    2.00    2.00
assign ( resid  20  and  name  H2'' )  ( resid  21  and  name    H8   )    2.48    1.24    1.24
assign ( resid  20  and  name  H2'' )  ( resid  21  and  name   H1'   )    4.21    2.11    2.11
assign ( resid  20  and  name  H3' )  ( resid  21  and  name    H8   )     4.16    2.08    2.08
assign ( resid  21  and  name   H8 )  ( resid  22  and  name    H5   )     3.81    1.91    1.91
assign ( resid  21  and  name   H8 )  ( resid  22  and  name    H6   )     3.85    1.93    1.93
assign ( resid  21  and  name  H2'' )  ( resid  21  and  name    H8   )    3.78    1.89    1.89
assign ( resid  21  and  name  H2'' )  ( resid  22  and  name    H5   )    3.65    1.83    1.83
assign ( resid  21  and  name  H2'' )  ( resid  22  and  name    H6   )    2.47    1.24    1.24
assign ( resid  21  and  name  H3' )  ( resid  21  and  name    H8   )     3.51    1.76    1.76
assign ( resid  21  and  name  H3' )  ( resid  22  and  name    H5   )     4.38    2.19    2.19
assign ( resid  21  and  name  H3' )  ( resid  22  and  name    H6   )     3.89    1.95    1.95
assign ( resid  22  and  name   H5 )  ( resid  22  and  name    H6   )     2.81    1.41    1.41
assign ( resid  22  and  name   H5 )  ( resid  22  and  name    H6   )     2.35    1.18    1.18
assign ( resid  22  and  name   H6 )  ( resid  23  and  name    H6   )     3.88    1.94    1.94
assign ( resid  22  and  name  H2'' )  ( resid  23  and  name    H6   )    2.47    1.24    1.24
assign ( resid  22  and  name  H3' )  ( resid  22  and  name    H5   )     4.54    2.27    2.27
assign ( resid  22  and  name  H3' )  ( resid  22  and  name    H6   )     3.18    1.59    1.59
assign ( resid  22  and  name  H3' )  ( resid  23  and  name    H6   )     3.89    1.95    1.95
assign ( resid  23  and  name   H5 )  ( resid  23  and  name    H6   )     2.72    1.36    1.36
assign ( resid  23  and  name  H2'' )  ( resid  24  and  name    H6   )    2.42    1.21    1.21
assign ( resid  23  and  name  H2'' )  ( resid  24  and  name   H1'   )    4.78    2.39    2.39
assign ( resid  23  and  name  H3' )  ( resid  23  and  name    H6   )     3.38    1.69    1.69
assign ( resid  23  and  name  H3' )  ( resid  24  and  name    H6   )     3.79    1.90    1.90
assign ( resid  24  and  name   H5 )  ( resid  24  and  name    H6   )     2.74    1.37    1.37
assign ( resid  24  and  name  H3' )  ( resid  24  and  name    H5   )     4.78    2.39    2.39
assign ( resid  24  and  name  H3' )  ( resid  24  and  name    H6   )     2.91    1.46    1.46
assign ( resid  24  and  name  H4' )  ( resid  24  and  name    H6   )     3.27    1.64    1.64
assign ( resid  3   and  name  H8 ) ( ( resid  4   and  name  H6 ) or ( resid  2   and  name  H8 ) )    4.18   2.09 2.09 
assign (resid 5 and name H6)((resid 5 and name H5) or (resid 4 and name H1') or (resid 5 and name H1')) 2.13 1.07 1.07
assign (resid 17 and name H2)(resid 9 and name H1') 2.536 1.27 1.27 
assign ( resid  19   and  name  H6 ) ( ( resid  6   and  name  H8 ) or ( resid  20   and  name  H8 ) )    3.96   1.98 1.98
assign ( resid  19   and  name  H6 ) ( ( resid  19   and  name  H1' ) or ( resid  19   and  name  H5 ) )  2.23  1.12 1.12  
assign (resid 23 and name H6)((resid 23 and name H5) or (resid 23 and name H1') or (resid 22 and name H1')) 2.32  1.16 1.16
assign ( resid  24   and  name  H6 ) ( ( resid  24   and  name  H5 ) or ( resid  23   and  name  H1' ) )    2.25   1.13 1.13  
assign (resid 4 and name H2'')((resid 4 and name H1') or (resid 5 and name H1') or (resid 23 and name H1')) 2.58 1.29 1.29 
assign ( resid  5 and name H1' )  ( ( resid  6 and name H8 ) or  ( resid 20 and name H8 ) )   3.375  1.69 1.69
assign ( resid  6 and name H1' )  ( ( resid  6 and name H8 ) or  ( resid 20 and name H8 ) )  3.68  1.84 1.84  
assign ( resid  8 and name H1' )  ( ( resid  9 and name H8 ) or  ( resid 17 and name H2 ) )  4.37  2.185 2.185  
assign ( resid  22 and name H3' )  ( ( resid  22 and name H1' )  or  ( resid 23 and name H5 ) )    3.77   1.89 1.89 
assign (resid 23 and name H2'')((resid 23 and name H1') or (resid 4 and name H1') or (resid 5 and name H1')) 2.64  1.32 1.32  
assign (resid 23 and name H3')((resid 23 and name H1') or (resid 4 and name H1') or (resid 5 and name H1') or 
(resid 24 and name H5)) 4.14  2.07 2.07
assign ( resid  2  and  name   H1 )  ( resid  3  and  name    H8   )       4.98    2.49    2.49
assign ( resid  2  and  name   H1 )  ( resid  23  and  name    H6   )      5.23    2.62    2.62
assign ( resid  2  and  name   H1 )  ( resid  24  and  name    H6   )      4.64    2.32    2.32
assign ( resid  2  and  name   H1 )  ( resid  3  and  name   H1'   )       3.27    1.64    1.64
assign ( resid  2  and  name   H1 )  ( resid  23  and  name   H41   )      2.51    1.26    1.26
assign ( resid  2  and  name   H1 )  ( resid  23  and  name   H42   )      2.85    1.43    1.43
assign ( resid  2  and  name   H1 )  ( resid  24  and  name   H42   )      3.72    1.86    1.86
assign ( resid  2  and  name   H1 )  ( resid  24  and  name   H41   )      3.9     1.95    1.95
assign ( resid  3  and  name   H1 )  ( resid  4  and  name    H5   )       4.75    2.38    2.38
assign ( resid  3  and  name   H1 )  ( resid  22  and  name    H5   )      3.83    1.92    1.92
assign ( resid  3  and  name   H1 )  ( resid  22  and  name    H6   )      4.55    2.28    2.28
assign ( resid  3  and  name   H1 )  ( resid  23  and  name    H6   )      4.41    2.21    2.21
assign ( resid  3  and  name   H1 )  ( resid  3  and  name   H1'   )       4.82    2.41    2.41
assign ( resid  3  and  name   H1 )  ( resid  4  and  name   H41   )       4.11    2.06    2.06
assign ( resid  3  and  name   H1 )  ( resid  22  and  name   H41   )      2.51    1.26    1.26 
assign ( resid  3  and  name   H1 )  ( resid  22  and  name   H42   )      2.84    1.42    1.42 
assign ( resid  3  and  name   H1 )  ( resid  23  and  name   H41   )      3.71    1.86    1.86
assign ( resid  5  and  name   H3 )  ( resid  4  and  name    H5   )       5.66    2.83    2.83
assign ( resid  5  and  name   H3 )  ( resid  5  and  name    H6   )       4.55    2.28    2.28
assign ( resid  5  and  name   H3 )  ( resid  6  and  name    H2   )       4.12    2.06    2.06
assign ( resid  5  and  name   H3 )  ( resid  20  and  name    H2   )      2.23    1.12    1.12
assign ( resid  5  and  name   H3 )  ( resid  4  and  name   H42   )       4.58    2.29    2.29
assign ( resid  5  and  name   H3 )  ( resid  6  and  name   H1'   )       4.31    2.16    2.16
assign ( resid  5  and  name   H3 )  ( resid  20  and  name   H1'   )      5.9     2.95    2.95
assign ( resid  18  and  name   H3 )  ( resid  7   and  name    H2   )     3.32    1.66    1.66
assign ( resid  18  and  name   H3 )  ( resid  17  and  name    H2   )     5.26    2.63    2.63
assign ( resid  19  and  name   H3 )  ( resid  6  and  name    H2   )      2.66    1.33    1.33
assign ( resid  19  and  name   H3 )  ( resid  20  and  name    H2   )     5.29    2.65    2.65
assign ( resid  19  and  name   H3 )  ( resid  6  and  name   H62   )      4.2     2.1     2.1
assign ( resid  19  and  name   H3 )  ( resid  7   and  name   H1'   )     5.59    2.8     2.8
assign ( resid  19  and  name   H3 )  ( resid  19  and  name   H1'   )     5.4     2.7     2.7
assign ( resid  21  and  name   H1 )  ( resid  4  and  name    H5   )      3.96    1.98    1.98
assign ( resid  21  and  name   H1 )  ( resid  5  and  name    H6   )      4.66    2.33    2.33
assign ( resid  21  and  name   H1 )  ( resid  20  and  name    H2   )     4.41    2.21    2.21
assign ( resid  21  and  name   H1 )  ( resid  22  and  name    H5   )     5.27    2.64    2.64
assign ( resid  21  and  name   H1 )  ( resid  4  and  name   H41   )      2.68    1.34    1.34 
assign ( resid  21  and  name   H1 )  ( resid  4  and  name   H42   )      2.93    1.47    1.47 
assign ( resid  21  and  name   H1 )  ( resid  22  and  name   H42   )     4.43    2.22    2.22
assign ( resid  20  and  name  H62 )  ( resid  6  and  name   H61   )      4.04    2.02    2.02
assign ( resid  23  and  name  H42 )  ( resid  24  and  name   H41   )     3.38    1.69    1.69
assign ( resid  23  and  name  H42 )  ( resid  24  and  name   H41   )     3.39    1.7     1.7
assign ( resid  23  and  name  H41 )  ( resid  24  and  name   H41   )     3.43    1.72    1.72
assign ( resid  24  and  name  H42 )  ( resid  23  and  name   H42   )     3.64    1.82    1.82
assign ( resid  24  and  name  H42 )  ( resid  23  and  name   H42   )     3.7     1.85    1.85
assign ( resid  24  and  name  H42 )  ( resid  23  and  name   H41   )     3.67    1.84    1.84
assign ( resid  24  and  name  H42 )  ( resid  23  and  name   H41   )     3.71    1.86    1.86
assign ( resid  24  and  name  H41 )  ( resid  23  and  name   H41   )     3.36    1.68    1.68

! base-pairing distance restraints

assign ( resid 1 and name O6   ) ( resid 24 and name H41  ) 2.00 0.2 0.2
assign ( resid 1 and name O6   ) ( resid 24 and name N4   ) 2.90 0.2 0.2
assign ( resid 1 and name H1   ) ( resid 24 and name N3   ) 2.00 0.2 0.2
assign ( resid 1 and name N1   ) ( resid 24 and name N3   ) 2.90 0.2 0.2
assign ( resid 1 and name H21  ) ( resid 24 and name O2   ) 2.00 0.2 0.2
assign ( resid 1 and name N2   ) ( resid 24 and name O2   ) 2.90 0.2 0.2
assign ( resid 2 and name O6   ) ( resid 23 and name H41  ) 2.00 0.2 0.2
assign ( resid 2 and name O6   ) ( resid 23 and name N4   ) 2.90 0.2 0.2
assign ( resid 2 and name H1   ) ( resid 23 and name N3   ) 2.00 0.2 0.2
assign ( resid 2 and name N1   ) ( resid 23 and name N3   ) 2.90 0.2 0.2
assign ( resid 2 and name H21  ) ( resid 23 and name O2   ) 2.00 0.2 0.2
assign ( resid 2 and name N2   ) ( resid 23 and name O2   ) 2.90 0.2 0.2
assign ( resid 3 and name O6   ) ( resid 22 and name H41   ) 2.00 0.2 0.2
assign ( resid 3 and name O6   ) ( resid 22 and name N4   ) 2.90 0.2 0.2
assign ( resid 3 and name H1   ) ( resid 22 and name N3   ) 2.00 0.2 0.2
assign ( resid 3 and name N1   ) ( resid 22 and name N3   ) 2.90 0.2 0.2
assign ( resid 3 and name H21  ) ( resid 22 and name O2   ) 2.00 0.2 0.2
assign ( resid 3 and name N2   ) ( resid 22 and name O2   ) 2.90 0.2 0.2
assign ( resid 21 and name O6   ) ( resid 4 and name H41   ) 2.00 0.2 0.2
assign ( resid 21 and name O6   ) ( resid 4 and name N4   ) 2.90 0.2 0.2
assign ( resid 21 and name H1   ) ( resid 4 and name N3   ) 2.00 0.2 0.2
assign ( resid 21 and name N1   ) ( resid 4 and name N3   ) 2.90 0.2 0.2
assign ( resid 21 and name H21  ) ( resid 4 and name O2   ) 2.00 0.2 0.2
assign ( resid 21 and name N2   ) ( resid 4 and name O2   ) 2.90 0.2 0.2
assign ( resid 5 and name O4   ) ( resid 20 and name H61  ) 2.00 0.2 0.2
assign ( resid 5 and name O4   ) ( resid 20 and name N6   ) 2.90 0.2 0.2
assign ( resid 5 and name H3   ) ( resid 20 and name N1   ) 2.00 0.2 0.2
assign ( resid 5 and name N3   ) ( resid 20 and name N1   ) 2.90 0.2 0.2
assign ( resid 6 and name H61  ) ( resid 19 and name O4   ) 2.00 0.2 0.2
assign ( resid 6 and name N6   ) ( resid 19 and name O4   ) 2.90 0.2 0.2
assign ( resid 6 and name N1   ) ( resid 19 and name H3   ) 2.00 0.2 0.2
assign ( resid 6 and name N1   ) ( resid 19 and name N3   ) 2.90 0.2 0.2
assign ( resid 7 and name H61  ) ( resid 18 and name O4   ) 2.00 0.2 0.2
assign ( resid 7 and name N6   ) ( resid 18 and name O4   ) 2.90 0.2 0.2
assign ( resid 7 and name N1   ) ( resid 18 and name H3   ) 2.00 0.2 0.2
assign ( resid 7 and name N1   ) ( resid 18 and name N3   ) 2.90 0.2 0.2
assign ( resid 8 and name O4   ) ( resid 17 and name H61  ) 2.00 0.2 0.2
assign ( resid 8 and name O4   ) ( resid 17 and name N6   ) 2.90 0.2 0.2
assign ( resid 8 and name H3   ) ( resid 17 and name N1   ) 2.00 0.2 0.2
assign ( resid 8 and name N3   ) ( resid 17 and name N1   ) 2.90 0.2 0.2

! dihedral angle restraints 

!Beta dihedrals
!
!Based on 3J(C4'i-Pi) values determined for beta torsion angle
!using 3D HCP "out-and-back" Jan.,2004 

assign ( resid 2    and name P   )  
       ( resid 2   and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )   1  -180.0   30.0   2

assign ( resid 3    and name P )
       ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )   1  -180.0   30.0   2

assign ( resid 4    and name P )
       ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )   1  -180.0   30.0   2

assign ( resid 5    and name P )
       ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )   1  -180.0   30.0   2

assign ( resid 6    and name P )
       ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )   1  -180.0   30.0   2

assign ( resid 7    and name P )
       ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )   1  -180.0   30.0   2

assign ( resid 8    and name P )
       ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )   1  -180.0   30.0   2

assign ( resid 17   and name P )
       ( resid 17   and name O5' )
       ( resid 17   and name C5' )
       ( resid 17   and name C4' )   1  -180.0   30.0   2

assign ( resid 18   and name P )
       ( resid 18   and name O5' )
       ( resid 18   and name C5' )
       ( resid 18   and name C4' )   1  -180.0   30.0   2

assign ( resid 19   and name P )
       ( resid 19   and name O5' )
       ( resid 19   and name C5' )
       ( resid 19   and name C4' )   1  -180.0   30.0   2

assign ( resid 20   and name P )
       ( resid 20   and name O5' )
       ( resid 20   and name C5' )
       ( resid 20   and name C4' )   1  -180.0   30.0   2

assign ( resid 21   and name P )
       ( resid 21   and name O5' )
       ( resid 21   and name C5' )
       ( resid 21   and name C4' )   1  -180.0   30.0   2

assign ( resid 22   and name P )
       ( resid 22   and name O5' )
       ( resid 22   and name C5' )
       ( resid 22   and name C4' )   1  -180.0   30.0   2

assign ( resid 23   and name P )
       ( resid 23   and name O5' )
       ( resid 23   and name C5' )
       ( resid 23   and name C4' )   1  -180.0   30.0   2

assign ( resid 24   and name P )
       ( resid 24   and name O5' )
       ( resid 24   and name C5' )
       ( resid 24   and name C4' )   1  -180.0   30.0   2

!
!gamma dihedrals
!
! 

assign ( resid 2    and name O5' )
       ( resid 2    and name C5' )
       ( resid 2    and name C4' )
       ( resid 2    and name C3' )   1  52.6  20   2

assign ( resid 3    and name O5' )
       ( resid 3    and name C5' )
       ( resid 3    and name C4' )
       ( resid 3    and name C3' )   1  52.6  20   2

assign ( resid 4    and name O5' )
       ( resid 4    and name C5' )
       ( resid 4    and name C4' )
       ( resid 4    and name C3' )   1  52.6  20  2

assign ( resid 5    and name O5' )
       ( resid 5    and name C5' )
       ( resid 5    and name C4' )
       ( resid 5    and name C3' )   1  52.6  20  2

assign ( resid 6    and name O5' )
       ( resid 6    and name C5' )
       ( resid 6    and name C4' )
       ( resid 6    and name C3' )   1  52.6  20   2

assign ( resid 7    and name O5' )
       ( resid 7    and name C5' )
       ( resid 7    and name C4' )
       ( resid 7    and name C3' )   1  52.6  20   2

assign ( resid 8    and name O5' )
       ( resid 8    and name C5' )
       ( resid 8    and name C4' )
       ( resid 8    and name C3' )   1  52.6  20   2

assign ( resid 17    and name O5' )
       ( resid 17    and name C5' )
       ( resid 17    and name C4' )
       ( resid 17    and name C3' )   1  52.6  20  2

assign ( resid 18    and name O5' )
       ( resid 18    and name C5' )
       ( resid 18    and name C4' )
       ( resid 18    and name C3' )   1  52.6  20   2

assign ( resid 19    and name O5' )
       ( resid 19   and name C5' )
       ( resid 19    and name C4' )
       ( resid 19    and name C3' )   1  52.6  20  2

assign ( resid 20    and name O5' )
       ( resid 20    and name C5' )
       ( resid 20    and name C4' )
       ( resid 20    and name C3' )   1  52.6  20   2

assign ( resid 21    and name O5' )
       ( resid 21    and name C5' )
       ( resid 21    and name C4' )
       ( resid 21    and name C3' )   1  52.6  20   2

assign ( resid 22    and name O5' )
       ( resid 22    and name C5' )
       ( resid 22    and name C4' )
       ( resid 22    and name C3' )   1  52.6  20  2

assign ( resid 23    and name O5' )
       ( resid 23    and name C5' )
       ( resid 23    and name C4' )
       ( resid 23    and name C3' )   1  52.6  20  2

assign ( resid 24    and name O5' )
       ( resid 24    and name C5' )
       ( resid 24    and name C4' )
       ( resid 24    and name C3' )   1  52.6  20   2

!
!Epsilon dihedrals
!
! Based on 3J(C4'i-Pi+1) and 3J(C2'i-Pi+1) values determined for 
! epsilon torsion angle using 3D HCP "out-and-back" Jan.,2004

assign ( resid 2    and name C4' )
       ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 3    and name P   )   1  210.0  20.0   2

assign ( resid 3    and name C4' )
       ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 4    and name P   )   1  210.0  20.0   2

assign ( resid 4    and name C4' )
       ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 5    and name P   )   1  210.0  20.0   2

assign ( resid 5    and name C4' )
       ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 6    and name P   )   1  210.0  20.0   2

assign ( resid 6    and name C4' )
       ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 7    and name P   )   1  210.0  20.0   2

assign ( resid 7    and name C4' )
       ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 8    and name P   )   1  210.0  20.0   2

assign ( resid 17   and name C4' )
       ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 18   and name P   )   1  210.0  20.0   2

assign ( resid 18    and name C4' )
       ( resid 18    and name C3' )
       ( resid 18    and name O3' )
       ( resid 19    and name P   )   1  210.0  20.0   2

assign ( resid 19    and name C4' )
       ( resid 19    and name C3' )
       ( resid 19    and name O3' )
       ( resid 20    and name P   )   1  210.0  20.0   2

assign ( resid 20    and name C4' )
       ( resid 20    and name C3' )
       ( resid 20    and name O3' )
       ( resid 21    and name P   )   1  210.0  20.0   2

assign ( resid 21    and name C4' )
       ( resid 21    and name C3' )
       ( resid 21    and name O3' )
       ( resid 22    and name P   )   1  210.0  20.0   2

assign ( resid 22    and name C4' )
       ( resid 22    and name C3' )
       ( resid 22    and name O3' )
       ( resid 23    and name P   )   1  210.0  20.0   2

assign ( resid 23    and name C4' )
       ( resid 23    and name C3' )
       ( resid 23    and name O3' )
       ( resid 24    and name P   )   1  210.0  20.0   2


!
!Zeta dihedrals
!
! Qualitative restraints based on 31P chemical shift values determined  
! using 3D HCP "out-and-back" Jan.,2004

assign ( resid 2    and name C3' )
       ( resid 2    and name O3' )
       ( resid 2    and name P )
       ( resid 3    and name O5')   1  289.0  20.0   2

assign ( resid 3    and name C3' )
       ( resid 3    and name O3' )
       ( resid 3    and name P )
       ( resid 4    and name O5'   )   1  289.0  20.0   2

assign ( resid 4    and name C3' )
       ( resid 4    and name O3' )
       ( resid 4    and name P )
       ( resid 5    and name O5')   1  289.0  20.0   2

assign ( resid 5    and name C3' )
       ( resid 5    and name O3' )
       ( resid 5    and name P )
       ( resid 6    and name O5'   )   1  289.0  20.0   2

assign ( resid 6    and name C3' )
       ( resid 6    and name O3' )
       ( resid 6    and name P )
       ( resid 7    and name O5'   )   1  289.0  20.0   2

assign ( resid 7    and name C3' )
       ( resid 7    and name O3' )
       ( resid 7    and name P )
       ( resid 8    and name O5'   )   1  289.0  20.0   2

assign ( resid 17   and name C3' )
       ( resid 17   and name O3' )
       ( resid 17   and name P )
       ( resid 18   and name O5'   )   1  289.0  20.0   2

assign ( resid 18    and name C3' )
       ( resid 18    and name O3' )
       ( resid 18    and name P )
       ( resid 19    and name O5'   )   1  289.0  20.0   2

assign ( resid 19    and name C3' )
       ( resid 19    and name O3' )
       ( resid 19    and name P )
       ( resid 20    and name O5'   )   1  289.0  20.0   2

assign ( resid 20    and name C3' )
       ( resid 20    and name O3' )
       ( resid 20    and name P )
       ( resid 21    and name O5'   )   1  289.0  20.0   2

assign ( resid 21    and name C3' )
       ( resid 21    and name O3' )
       ( resid 21    and name P )
       ( resid 22    and name O5'   )   1  289.0  20.0   2

assign ( resid 22    and name C3' )
       ( resid 22    and name O3' )
       ( resid 22    and name P )
       ( resid 23    and name O5'   )   1  289.0  20.0   2

assign ( resid 23    and name C3' )
       ( resid 23    and name O3' )
       ( resid 23    and name P )
       ( resid 24    and name O5'   )   1  289.0  20.0   2

! base-pairing dihedral restraints

assign  ( resid 24 and name C6 )
        ( resid 24 and name N3 )
        ( resid 1  and name N1 )
        ( resid 1  and name C4 )  1.00  0.000  0.000   2 

assign  ( resid 1  and name H1 )
        ( resid 24 and name N3 )
        ( resid 24 and name N3 )
        ( resid 24 and name C6 )  1.00  0.000 0.000   2


assign  ( resid 23 and name C6 )
        ( resid 23 and name N3 )
        ( resid 2  and name N1 )
        ( resid 2  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 2  and name H1 )
        ( resid 23 and name N3 )
        ( resid 23 and name N3 )
        ( resid 23 and name C6 )  1.00  0.000 0.000   2


assign  ( resid 22  and name C6 )
        ( resid 22  and name N3 )
        ( resid 3 and name N1 )
        ( resid 3 and name C4 )  1.00  0.000 0.000   2

assign  ( resid 3 and name H1 )
        ( resid 22  and name N3 )
        ( resid 22  and name N3 )
        ( resid 22  and name C6 )  1.00  0.000 0.000   2


assign  ( resid 4 and name C6 )
        ( resid 4 and name N3 )
        ( resid 21  and name N1 )
        ( resid 21  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 21  and name H1 )
        ( resid 4 and name N3 )
        ( resid 4 and name N3 )
        ( resid 4 and name C6 )  1.00  0.000 0.000   2

assign  ( resid 5 and name C6 )
        ( resid 5 and name N3 )
        ( resid 20  and name N1 )
        ( resid 20  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 5 and name H3 )
        ( resid 20  and name N1 )
        ( resid 20  and name N1 )
        ( resid 20  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 19 and name C6 )
        ( resid 19 and name N3 )
        ( resid 6  and name N1 )
        ( resid 6  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 19 and name H3 )
        ( resid 6  and name N1 )
        ( resid 6  and name N1 )
        ( resid 6  and name C4 )  1.00  0.000 0.000   2

assign  ( resid 18  and name C6 )
        ( resid 18  and name N3 )
        ( resid 7 and name N1 )
        ( resid 7 and name C4 )  1.00  0.000 0.000   2

assign  ( resid 18  and name H3 )
        ( resid 7 and name N1 )
        ( resid 7 and name N1 )
        ( resid 7 and name C4 )  1.00  0.000 0.000   2

assign  ( resid 8  and name C6 )
        ( resid 8  and name N3 )
        ( resid 17 and name N1 )
        ( resid 17 and name C4 )  1.00  0.000 0.000   2

assign  ( resid 8  and name H3 )
        ( resid 17 and name N1 )
        ( resid 17 and name N1 )
        ( resid 17 and name C4 )  1.00  0.000 0.000   2


! 31P CSA restraints

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     2   and name P   )
       ( resid     2   and name O1P   )
       ( resid     2   and name O2P   ) -40.0    3.0   3.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     3   and name P   )
       ( resid     3   and name O1P   )
       ( resid     3   and name O2P   ) 31.0    3.0   3.0

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name P   )
       ( resid     4   and name O1P   )
       ( resid     4   and name O2P   ) 43.0    3.0   3.0

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     6   and name P   )
       ( resid     6   and name O1P   )
       ( resid     6   and name O2P   ) 28.0    3.0   3.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     7   and name P   )
       ( resid     7   and name O1P   )
       ( resid     7   and name O2P   ) 28.0    3.0   3.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name P   )
       ( resid     8   and name O1P   )
       ( resid     8   and name O2P   ) 45.0   3.0   3.0

assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    17   and name P      )
       ( resid    17   and name O1P    )
       ( resid    17   and name O2P    ) 7.0  3.0   3.0
       
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    18   and name P      )
       ( resid    18   and name O1P    )
       ( resid    18   and name O2P    ) 49.0  3.0   3.0
       
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    19   and name P      )
       ( resid    19   and name O1P    )
       ( resid    19   and name O2P    ) 64.0  3.0   3.0
       
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    20   and name P      )
       ( resid    20   and name O1P    )
       ( resid    20   and name O2P    ) 46.0  3.0   3.0
       
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    21   and name P      )
       ( resid    21   and name O1P    )
       ( resid    21   and name O2P    ) 23.0  3.0   3.0
 
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    22   and name P      )
       ( resid    22   and name O1P    )
       ( resid    22   and name O2P    ) -4.0  3.0   3.0
       
assign ( resid   500   and name OO     )
       ( resid   500   and name Z      )
       ( resid   500   and name X      )
       ( resid   500   and name Y      )
       ( resid    23   and name P      )
       ( resid    23   and name O1P    )
       ( resid    23   and name O2P    ) 5.0  3.0   3.0

! C5'-(H5'+H5'') sum RDC restraints
! Emeric's sum values scaled by 1.2   DLB Aug 18 2004
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name C5'    )
       ( resid   2   and (name H5' or name H5'')  )  -20.11  2.0 2.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name C5'    )
       ( resid   3   and (name H5' or name H5'')  )  -12.85  2.0 2.0

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name C5'    )
       ( resid   4   and (name H5' or name H5'')  )  -17.92  2.0 2.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name C5'    )
       ( resid   7   and (name H5' or name H5'')  )  -42.82  2.0 2.0
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name C5'    )
       ( resid   8   and (name H5' or name H5'')  )  -44.86  2.0 2.0       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name C5'    )
       ( resid   17   and (name H5' or name H5'')  )  -16.42  2.0 2.0  
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name C5'    )
       ( resid   21   and (name H5' or name H5'')  )  -36.17  2.0 2.0         


! RDC restraints are below


! one-bond C-H ribose RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H1'   )
       ( resid   2   and name C1'   ) -29.800    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H1'   )
       ( resid   3   and name C1'   ) -37.000    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H1'   )
       ( resid   4   and name C1'   ) -34.200    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H1'   )
       ( resid   5   and name C1'   ) -21.800    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H1'   )
       ( resid   6   and name C1'   ) -12.400    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H1'   )
       ( resid   7   and name C1'   ) -4.500    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H1'   )
       ( resid   8   and name C1'   )  1.000    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H1'   )
       ( resid   17   and name C1'   ) -23.500    1.300 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H1'   )
       ( resid   18   and name C1'   ) -17.800    0.00 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H1'   )
       ( resid   19   and name C1'   ) -6.700    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H1'   )
       ( resid   20   and name C1'   ) -0.300    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H1'   )
       ( resid   21   and name C1'   ) -0.500    0.00 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H1'   )
       ( resid   22   and name C1'   ) -3.200    0.00 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H1'   )
       ( resid   23   and name C1'   ) -8.500    0.00 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H2''   )
       ( resid   2   and name C2'   ) 12.100    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H2''   )
       ( resid   3   and name C2'   ) 11.300    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H2''   )
       ( resid   4   and name C2'   )  8.300    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H2''   )
       ( resid   5   and name C2'   )  0.800    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H2''   )
       ( resid   6   and name C2'   ) -1.100    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H2''   )
       ( resid   7   and name C2'   ) -5.400    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H2''   )
       ( resid   8   and name C2'   ) -1.200    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H2''   )
       ( resid   18   and name C2'   ) -9.700    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H2''   )
       ( resid   19   and name C2'   ) -3.400    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H2''   )
       ( resid   20   and name C2'   )  6.200    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H2''   )
       ( resid   21   and name C2'   ) 13.600    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H2''   )
       ( resid   22   and name C2'   ) 13.500    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H2''   )
       ( resid   23   and name C2'   ) 13.600    0.00  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H3'   )
       ( resid   2   and name C3'   ) 13.270    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H3'   )
       ( resid   3   and name C3'   )  8.560    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H3'   )
       ( resid   4   and name C3'   ) -3.400    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H3'   )
       ( resid   5   and name C3'   ) -2.970    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H3'   )
       ( resid   6   and name C3'   )  2.530    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H3'   )
       ( resid   7   and name C3'   ) 13.700    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H3'   )
       ( resid   8   and name C3'   ) 22.520    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H3'   )
       ( resid   18   and name C3'   )  4.860    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H3'   )
       ( resid   19   and name C3'   ) 11.480    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H3'   )
       ( resid   20   and name C3'   ) 12.240    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H3'   )
       ( resid   21   and name C3'   ) 16.100    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H3'   )
       ( resid   22   and name C3'   ) 21.590    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H3'   )
       ( resid   23   and name C3'   ) 26.550    0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H4'   )
       ( resid   2   and name C4'   ) 19.83  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H4'   )
       ( resid   3   and name C4'   ) 19.24  0.00
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H4'   )
       ( resid   4   and name C4'   )  9.61  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H4'   )
       ( resid   5   and name C4'   )  4.92  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H4'   )
       ( resid   6   and name C4'   )  6.28  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H4'   )
       ( resid   7   and name C4'   ) 14.25  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H4'   )
       ( resid   8   and name C4'   ) 25.12  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H4'   )
       ( resid   18   and name C4'   ) 15.01  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H4'   )
       ( resid   19   and name C4'   ) 17.14  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H4'   )
       ( resid   20   and name C4'   ) 14.80  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H4'   )
       ( resid   21   and name C4'   ) 14.43  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H4'   )
       ( resid   22   and name C4'   ) 18.63  0.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H4'   )
       ( resid   23   and name C4'   ) 25.06  0.00

! one-bond base C-H RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H2   )
       ( resid   6   and name C2   ) 27.263    0.444 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H2   )
       ( resid   7   and name C2   ) 28.340    0.430 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H2   )
       ( resid   17   and name C2   ) 16.799    0.453 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H2   )
       ( resid   20   and name C2   ) 22.442    0.447 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name C5   )
       ( resid   4   and name H5   ) 3.296  0.099 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name C5   )
       ( resid   5   and name H5   ) 11.777   0.079  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name C5   )
       ( resid   8   and name H5   ) 26.712   0.103 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name C5   )
       ( resid   18   and name H5   ) 15.588   0.098 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name C5   )
       ( resid   19   and name H5   ) 14.818   0.118 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name C5   )
       ( resid   22   and name H5   )  28.616   0.079 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name C5   )
       ( resid   23   and name H5   )  24.496   0.090 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name C6   )
       ( resid   4   and name H6   ) 22.338    0.289 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name C6   )
       ( resid   5   and name H6   ) 29.321    0.364  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name C6   )
       ( resid   8   and name H6   ) 15.315    0.577 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name C6   )
       ( resid   18   and name H6   ) 19.613    0.498 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name C6   )
       ( resid   19   and name H6   ) 27.063    0.444 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name C6   )
       ( resid   22   and name H6   )  9.912    0.250 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name C6   )
       ( resid   23   and name H6   )  1.135   0.296 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H8   )
       ( resid   2   and name C8   )  3.474    0.683 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H8   )
       ( resid   3   and name C8   )  6.332    0.543 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H8   )
       ( resid   6   and name C8   ) 28.000    0.600 1

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H8   )
       ( resid   7   and name C8   ) 23.382    0.563 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H8   )
       ( resid   17   and name C8   ) 11.439    0.727 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H8   )
       ( resid   20   and name C8   ) 28.000    0.600 1

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H8   )
       ( resid   21   and name C8   ) 27.583    0.563 


! base C4-C5 RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     5   and name C5   )
       ( resid     5   and name C4   ) 2.875   0.141

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name C5   )
       ( resid     8   and name C4   ) 1.281  0.198

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    18   and name C5   )
       ( resid    18   and name C4   ) 2.280   0.197 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    19   and name C5   )
       ( resid    19   and name C4   ) 2.872   0.156

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name C5   )
       ( resid     4   and name C4   ) 2.109   0.197

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    22   and name C5   )
       ( resid    22   and name C4   ) 1.086   0.139

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    23   and name C5   )
       ( resid    23   and name C4   ) 0.375  0.156

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     6   and name C4   )
       ( resid     6   and name C5   ) 1.78    0.078
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     7   and name C4   )
       ( resid     7   and name C5   ) 2.82    0.078

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    17   and name C4   )
       ( resid    17   and name C5   ) 2.88    0.136
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    20   and name C4   )
       ( resid    20   and name C5   ) 1.79    0.078

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     2   and name C4   )
       ( resid     2   and name C5   ) 3.06    0.408
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     3   and name C4   )
       ( resid     3   and name C5   ) 3.005    0.193

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    21   and name C4   )
       ( resid    21   and name C5   ) 1.78    0.078
       
! base C5-C6 RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     5   and name C5   )
       ( resid     5   and name C6   ) 2.188    0.128

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name C5   )
       ( resid     8   and name C6   ) 2.807    0.204

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    18   and name C5   )
       ( resid    18   and name C6   ) 3.260    0.181 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    19   and name C5   )
       ( resid    19   and name C6   ) 3.453    0.142

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name C5   )
       ( resid     4   and name C6   ) 3.139    0.179

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    22   and name C5   )
       ( resid    22   and name C6   ) 1.419    0.129

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    23   and name C5   )
       ( resid    23   and name C6   ) 2.246   0.143

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     6   and name C5   )
       ( resid     6   and name C6   ) 1.97    0.130
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     7   and name C5   )
       ( resid     7   and name C6   ) 1.66    0.131

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    17   and name C5   )
       ( resid    17   and name C6   ) 1.31    0.078
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    20   and name C5   )
       ( resid    20   and name C6   ) 2.67    0.071

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     2   and name C5   )
       ( resid     2   and name C6   ) 0.62    0.599
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     3   and name C5   )
       ( resid     3   and name C6   ) 1.98    0.301

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    21   and name C5   )
       ( resid    21   and name C6   ) 1.87    0.127

! base C4-H5 RDCs
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name H5   )
       ( resid     4   and name C4   ) 1.220   0.218  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    22   and name H5   )
       ( resid    22   and name C4   ) 3.147   0.196  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    23   and name H5   )
       ( resid    23   and name C4   ) 1.365   0.184  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     5   and name H5   )
       ( resid     5   and name C4   ) 2.499   0.175  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name H5   )
       ( resid     8   and name C4   ) 1.892   0.235  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    18   and name H5   )
       ( resid    18   and name C4   ) 1.77   0.232   

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    19   and name H5   )
       ( resid    19   and name C4   ) 2.625   0.191  

! base C5-H6 and C6-H5 RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name H5   )
       ( resid     4   and name C6   ) 1.841   0.214  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     5   and name H5   )
       ( resid     5   and name C6   ) 1.700   0.154  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name H5   )
       ( resid     8   and name C6   ) 3.700   0.240  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    18   and name H5   )
       ( resid    18   and name C6   ) 2.91   0.222  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    19   and name H5   )
       ( resid    19   and name C6   ) 2.711   0.174  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    22   and name H5   )
       ( resid    22   and name C6   ) 3.009   0.174  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    23   and name H5   )
       ( resid    23   and name C6   ) 3.732   0.169  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    24   and name H5   )
       ( resid    24   and name C6   ) 2.916   0.156  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     4   and name H6   )
       ( resid     4   and name C5   ) 3.68   0.207  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     5   and name H6   )
       ( resid     5   and name C5   ) 4.019   0.227  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid     8   and name H6   )
       ( resid     8   and name C5   ) 1.75  0.373   

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    18   and name H6   )
       ( resid    18   and name C5   ) 3.505   0.298  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    19   and name H6   )
       ( resid    19   and name C5   ) 3.959   0.290  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    22   and name H6   )
       ( resid    22   and name C5   ) 0.139   0.199  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    23   and name H6   )
       ( resid    23   and name C5   ) 0.802   0.226  

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid    24   and name H6   )
       ( resid    24   and name C5   ) 1.282   0.178  

! ribose H1'-H2'' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H1'   )
       ( resid   2   and name H2''   ) -4.500   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H1'   )
       ( resid   3   and name H2''   ) -5.800   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H1'   )
       ( resid   4   and name H2''   ) -8.200   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H1'   )
       ( resid   5   and name H2''   ) -9.400   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H1'   )
       ( resid   6   and name H2''   ) -9.700   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H1'   )
       ( resid   7   and name H2''   )-10.900   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H1'   )
       ( resid   8   and name H2''   ) -9.300   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H1'   )
       ( resid   17   and name H2''   ) -8.600   2.000 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H1'   )
       ( resid   18   and name H2''   )-10.300   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H1'   )
       ( resid   19   and name H2''   )-10.400   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H1'   )
       ( resid   20   and name H2''   ) -9.200   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H1'   )
       ( resid   21   and name H2''   ) -8.100   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H1'   )
       ( resid   22   and name H2''   ) -6.000   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H1'   )
       ( resid   23   and name H2''   ) -5.900   0.100 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   24   and name H1'   )
       ( resid   24   and name H2''   ) -4.100   0.100 

! ribose C2'-H1' and C1'-H2'' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H2''   )
       ( resid   2   and name C1'   )  1.100     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H2''   )
       ( resid   3   and name C1'   ) -0.900     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H2''   )
       ( resid   4   and name C1'   ) -2.200     0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H2''   )
       ( resid   5   and name C1'   ) -2.600     0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H2''   )
       ( resid   6   and name C1'   ) -3.100     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H2''   )
       ( resid   7   and name C1'   ) -4.000     0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H2''   )
       ( resid   8   and name C1'   ) -4.100     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H2''   )
       ( resid   17   and name C1'   ) -2.400     1.500

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H2''   )
       ( resid   18   and name C1'   ) -4.500     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H2''   )
       ( resid   19   and name C1'   ) -4.700     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H2''   )
       ( resid   20   and name C1'   ) -3.700     0.300

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H2''   )
       ( resid   21   and name C1'   ) -3.100     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H2''   )
       ( resid   22   and name C1'   ) -0.900     0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H2''   )
       ( resid   23   and name C1'   ) -0.600     0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   24   and name H2''   )
       ( resid   24   and name C1'   ) -1.500     0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H1'   )
       ( resid   2   and name C2'   ) -4.900   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H1'   )
       ( resid   3   and name C2'   ) -3.900   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H1'   )
       ( resid   4   and name C2'   ) -4.000   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name H1'   )
       ( resid   5   and name C2'   ) -3.700   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name H1'   )
       ( resid   6   and name C2'   ) -4.200   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H1'   )
       ( resid   7   and name C2'   ) -5.000   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H1'   )
       ( resid   8   and name C2'   ) -4.800   0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H1'   )
       ( resid   17   and name C2'   ) -3.400   1.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name H1'   )
       ( resid   18   and name C2'   ) -4.200   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name H1'   )
       ( resid   19   and name C2'   ) -3.500   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name H1'   )
       ( resid   20   and name C2'   ) -5.400   0.200

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H1'   )
       ( resid   21   and name C2'   ) -5.000   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name H1'   )
       ( resid   22   and name C2'   ) -4.900   0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name H1'   )
       ( resid   23   and name C2'   ) -4.400   0.100

! ribose C1'-C2' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name C1'   )
       ( resid   2   and name C2'    ) -0.951   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name C1'   )
       ( resid   3   and name C2'    ) -0.150   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name C1'   )
       ( resid   5   and name C2'    ) -1.383   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name C1'   )
       ( resid   6   and name C2'    ) -2.537   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name C1'   )
       ( resid   7   and name C2'    )  -2.300   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name C1'   )
       ( resid   8   and name C2'    ) -3.584   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name C1'   )
       ( resid   18   and name C2'    ) -1.293  0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name C1'   )
       ( resid   19   and name C2'    )  -2.327  0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name C1'   )
       ( resid   20   and name C2'    ) -3.927   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name C1'   )
       ( resid   21   and name C2'    ) -3.417   0.200 

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name C1'   )
       ( resid   22   and name C2'    ) -3.221   0.200 

! H5'-H5'' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H5'    )
       ( resid   2   and name H5''   )  -16.38  4.61

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H5'    )
       ( resid   3   and name H5''   ) -9.88  4.10

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H5'    )
       ( resid   4   and name H5''   ) -22.61  10.00

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H5'    )
       ( resid   7   and name H5''   ) -31.74  7.20

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H5'    )
       ( resid   8   and name H5''   )  -39.34  5.78

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H5'    )
       ( resid   17   and name H5''   ) -12.44  7.44

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H5'    )
       ( resid   21   and name H5''   ) -32.87  4.14

! H4'-H5' and H4'-H5'' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H4'    )
       ( resid   2   and name H5'    ) 5.08  1.05

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H4'    )
       ( resid   3   and name H5'    ) 0.69  0.66

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H4'    )
       ( resid   8   and name H5'    ) 3.09  1.14

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H4'    )
       ( resid   17   and name H5'    ) 3.99  1.99

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H4'    )
       ( resid   21   and name H5'    ) 4.43  1.09

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H4'    )
       ( resid   2   and name H5''   ) -0.79  1.08

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H4'    )
       ( resid   3   and name H5''   ) -4.28  0.78

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H4'    )
       ( resid   4   and name H5''   )  -4.19  0.92

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H4'    )
       ( resid   7   and name H5''   )  7.46  0.86


assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H4'    )
       ( resid   8   and name H5''   )  7.65  0.85

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H4'    )
       ( resid   17   and name H5''   ) 1.20  2.97

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H4'    )
       ( resid   21   and name H5''   ) 3.46  0.68

! H4'-C5' RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name H4'    )
       ( resid   2   and name C5'    ) 1.65  0.87

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name H4'    )
       ( resid   3   and name C5'    ) 1.16  2.24

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name H4'    )
       ( resid   4   and name C5'    ) -2.13  2.53

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name H4'    )
       ( resid   7   and name C5'    )  0.79  1.42

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name H4'    )
       ( resid   8   and name C5'    ) 4.41  2.40

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name H4'    )
       ( resid   17   and name C5'    ) -0.91  2.21

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name H4'    )
       ( resid   21   and name C5'    ) 2.47  2.19

base C-N RDCs

assign ( resid   500   and name OO   )
       ( resid   500   and name Z      )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name N1   )
       ( resid   4   and name C1'   ) 0.896  0.022

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name N1   )
       ( resid   5   and name C1'   ) 0.602  0.029

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name N1   )
       ( resid   8   and name C1'   ) 0.932  0.057

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name N1   )
       ( resid   18   and name C1'   )  0.946  0.043

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name N1   )
       ( resid   19   and name C1'   )  0.989  0.036
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name N1   )
       ( resid   22   and name C1'   )  0.530  0.022
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name N1   ) 
       ( resid   23   and name C1'   )  0.882 0.022

assign ( resid   500    and name OO    )
       ( resid   500    and name Z    )
       ( resid   500    and name X    )
       ( resid   500    and name Y    )
       ( resid   24    and name N1    )
       ( resid   24    and name C1'    ) 0.803 0.022

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name N9   )
       ( resid   2   and name C1'   )  0.896  0.050

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name N9   )
       ( resid   3   and name C1'   )  1.047  0.036

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name N9   )
       ( resid   6   and name C1'   )  0.581  0.043

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name N9   )
       ( resid   7   and name C1'   ) 0.624  0.043
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name N9   )
       ( resid   17   and name C1'   ) 0.832  0.057
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name N9   )
       ( resid   20   and name C1'   )  0.760 0.065

assign ( resid   500    and name OO   ) 
       ( resid   500    and name Z   ) 
       ( resid   500    and name X   ) 
       ( resid   500    and name Y   ) 
       ( resid   21    and name N9   ) 
       ( resid   21    and name C1'   ) 0.559  0.043

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name N9   )
       ( resid   2   and name C8   ) 0.975  0.057

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name N9   )
       ( resid   3      and name C8   ) 0.552  0.043       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name N1   )
       ( resid   4   and name C6   ) 0.409  0.029

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name N1   )
       ( resid   5   and name C6   ) 0.566  0.036

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name N9   )
       ( resid   6      and name C8   ) 0.953  0.057       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name N9   )
       ( resid   7      and name C8   ) 1.269  0.050       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name N1   )
       ( resid   8   and name C6   )  1.333  0.065
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name N9   )
       ( resid   17      and name C8   ) 1.018  0.065       
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name N1   )
       ( resid   18   and name C6   )  0.746  0.043

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name N1   )
       ( resid   19   and name C6   )  0.746  0.043
       
assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name N9   )
       ( resid   20     and name C8   ) 0.839  0.079       

assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name N9   )
       ( resid   21      and name C8   ) 1.032  0.043       
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name N1   )
       ( resid   22   and name C6   )  1.520  0.029
       
assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name N1   ) 
       ( resid   23   and name C6   )  1.204 0.029

assign ( resid   500    and name OO   )
       ( resid   500    and name Z    )
       ( resid   500    and name X    )
       ( resid   500    and name Y    )
       ( resid   24    and name N1    )
       ( resid   24    and name C6    ) 0.724 0.022

assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   4   and name N1    )
       ( resid   4   and name C2    ) 0.961  0.036
       
assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   22   and name N1   )
       ( resid   22   and name C2   )  0.645  0.036
       
assign ( resid   500   and name OO  )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   23   and name N1   ) 
       ( resid   23   and name C2   )  0.244 0.043

assign ( resid   500    and name OO   )
       ( resid   500    and name Z    )
       ( resid   500    and name X    )
       ( resid   500    and name Y    )
       ( resid   24    and name N1    )
       ( resid   24    and name C2    ) 0.108 0.036

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   5   and name N1   )
       ( resid   5   and name C2   )  1.412 0.057

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   8   and name N1   )
       ( resid   8   and name C2   )  0.781  0.100

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   18   and name N1   )
       ( resid   18   and name C2   )  0.896  0.086

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   19   and name N1   )
       ( resid   19   and name C2   )  1.183  0.065

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   1   and name N9   )
       ( resid   1   and name C4   ) 0.530 0.401

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   2   and name N9   )
       ( resid   2   and name C4   ) 0.272  0.079

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   3   and name N9   )
       ( resid   3      and name C4   ) 0.681  0.057       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   6   and name N9   )
       ( resid   6      and name C4   ) 1.355  0.065       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   7   and name N9   )
       ( resid   7      and name C4   ) 0.932  0.079       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   17   and name N9   )
       ( resid   17      and name C4   ) 0.573  0.115       
       
assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   20   and name N9   )
       ( resid   20     and name C4   ) 1.462  0.093       

assign ( resid   500   and name OO   )
       ( resid   500   and name Z   )
       ( resid   500   and name X   )
       ( resid   500   and name Y   )
       ( resid   21   and name N9   )
       ( resid   21      and name C4   ) 1.068  0.057       
       
       










  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1*  GMP   1           H1*        G   1   8.320  -3.879 -11.193
    2    H2*  GMP   1           H2*        G   1   6.187  -4.506  -9.732
    3    H3*  GMP   1           H3*        G   1   5.199  -2.311  -9.989
    4    H4*  GMP   1           H4*        G   1   5.630  -2.723 -12.977
    5   *HO2  GMP   1          2HO*        G   1   6.574  -4.611 -12.539
    6   *HO5  GMP   1          H5T         G   1   3.584  -1.097 -11.587
    7   1H5*  GMP   1          1H5*        G   1   5.698  -0.279 -11.296
    8   2H5*  GMP   1          2H5*        G   1   5.792  -0.277 -13.132
    9    H8   GMP   1           H8         G   1   7.753  -0.518 -10.147
   10    HN1  GMP   1           H1         G   1   9.188  -4.211  -5.098
   11   1HN2  GMP   1          1H2         G   1   8.555  -6.846  -7.252
   12   2HN2  GMP   1          2H2         G   1   9.006  -6.333  -5.642
   13   1H5*    G   2          1H5*        G   2   4.091  -5.668 -10.569
   14   2H5*    G   2          2H5*        G   2   2.393  -6.379 -10.460
   15    H4*    G   2           H4*        G   2   3.963  -7.811  -9.292
   16    H3*    G   2           H3*        G   2   2.784  -5.938  -7.204
   17    H2*    G   2           H2*        G   2   4.063  -7.268  -5.623
   18   2HO*    G   2          2HO*        G   2   5.002  -8.880  -7.749
   19    H1*    G   2           H1*        G   2   6.349  -7.178  -7.062
   20    H8     G   2           H8         G   2   4.861  -3.973  -7.938
   21    H1     G   2           H1         G   2   7.007  -4.098  -1.890
   22   1H2     G   2          2H2         G   2   7.409  -6.169  -1.279
   23   2H2     G   2          1H2         G   2   7.155  -7.523  -2.355
   24   1H5*    G   3          1H5*        G   3   2.541  -9.313  -5.791
   25   2H5*    G   3          2H5*        G   3   0.933 -10.092  -5.329
   26    H4*    G   3           H4*        G   3   2.540 -10.339  -3.523
   27    H3*    G   3           H3*        G   3   0.933  -7.827  -2.914
   28    H2*    G   3           H2*        G   3   2.178  -7.807  -0.832
   29   2HO*    G   3          2HO*        G   3   3.527 -10.166  -1.625
   30    H1*    G   3           H1*        G   3   4.581  -8.191  -2.032
   31    H8     G   3           H8         G   3   2.780  -6.248  -4.555
   32    H1     G   3           H1         G   3   4.425  -2.755   0.572
   33   1H2     G   3          2H2         G   3   5.000  -4.078   2.229
   34   2H2     G   3          1H2         G   3   4.988  -5.820   2.077
   35   1H5*    C   4          1H5*        C   4   0.756  -9.991   0.455
   36   2H5*    C   4          2H5*        C   4  -0.956 -10.188   1.094
   37    H4*    C   4           H4*        C   4   0.734  -9.319   2.733
   38    H3*    C   4           H3*        C   4  -1.241  -7.181   1.835
   39    H2*    C   4           H2*        C   4  -0.207  -5.782   3.485
   40   2HO*    C   4          2HO*        C   4   0.809  -6.601   5.173
   41    H1*    C   4           H1*        C   4   2.358  -6.516   2.821
   42   1H4     C   4          2H4         C   4   0.940  -1.296  -0.578
   43   2H4     C   4          1H4         C   4   0.401  -2.312  -1.896
   44    H5     C   4           H5         C   4   0.235  -4.721  -1.700
   45    H6     C   4           H6         C   4   0.568  -6.633  -0.221
   46   1H5*    U   5          1H5*        U   5  -1.453  -7.308   6.031
   47   2H5*    U   5          2H5*        U   5  -3.207  -7.393   6.561
   48    H4*    U   5           H4*        U   5  -1.807  -5.640   7.695
   49    H3*    U   5           H3*        U   5  -3.803  -4.450   5.733
   50    H2*    U   5           H2*        U   5  -3.112  -2.332   6.585
   51   2HO*    U   5          2HO*        U   5  -2.241  -2.114   8.520
   52    H1*    U   5           H1*        U   5  -0.425  -2.956   6.535
   53    H3     U   5           H3         U   5  -1.169  -0.045   3.110
   54    H5     U   5           H5         U   5  -2.054  -3.834   1.555
   55    H6     U   5           H6         U   5  -1.913  -4.695   3.790
   56   1H5*    A   6          1H5*        A   6  -4.328  -2.462   9.153
   57   2H5*    A   6          2H5*        A   6  -6.089  -2.264   9.628
   58    H4*    A   6           H4*        A   6  -4.712  -0.140   9.483
   59    H3*    A   6           H3*        A   6  -6.675  -0.385   7.154
   60    H2*    A   6           H2*        A   6  -6.040   1.875   6.671
   61   2HO*    A   6          2HO*        A   6  -5.497   3.164   8.260
   62    H1*    A   6           H1*        A   6  -3.370   1.414   7.189
   63    H8     A   6           H8         A   6  -4.372  -1.572   5.378
   64   1H6     A   6          1H6         A   6  -4.453   1.718   0.118
   65   2H6     A   6          2H6         A   6  -4.486   0.106   0.795
   66    H2     A   6           H2         A   6  -4.189   4.571   3.568
   67   1H5*    A   7          1H5*        A   7  -7.497   3.013   9.009
   68   2H5*    A   7          2H5*        A   7  -9.263   3.394   9.335
   69    H4*    A   7           H4*        A   7  -7.925   5.168   8.116
   70    H3*    A   7           H3*        A   7  -9.878   3.734   6.255
   71    H2*    A   7           H2*        A   7  -9.295   5.442   4.682
   72   2HO*    A   7          2HO*        A   7  -8.779   7.374   5.384
   73    H1*    A   7           H1*        A   7  -6.616   5.362   5.338
   74    H8     A   7           H8         A   7  -7.592   1.830   5.323
   75   1H6     A   7          1H6         A   7  -7.355   1.939  -0.867
   76   2H6     A   7          2H6         A   7  -7.433   0.913   0.546
   77    H2     A   7           H2         A   7  -7.290   6.175   0.617
   78   1H5*    U   8          1H5*        U   8 -10.908   7.592   5.918
   79   2H5*    U   8          2H5*        U   8 -12.721   7.870   5.966
   80    H4*    U   8           H4*        U   8 -11.392   8.729   3.930
   81    H3*    U   8           H3*        U   8 -13.347   6.466   3.307
   82    H2*    U   8           H2*        U   8 -12.819   6.887   1.039
   83   2HO*    U   8          2HO*        U   8 -11.427   9.234   1.848
   84    H1*    U   8           H1*        U   8 -10.106   7.482   1.573
   85    H3     U   8           H3         U   8 -10.313   3.841  -1.195
   86    H5     U   8           H5         U   8 -10.713   2.346   2.696
   87    H6     U   8           H6         U   8 -10.951   4.583   3.460
   88   1H5*    A  17          1H5*        A  17 -10.540   2.368 -10.836
   89   2H5*    A  17          2H5*        A  17  -8.995   2.994 -11.602
   90    H4*    A  17           H4*        A  17 -10.195   4.896 -10.771
   91    H3*    A  17           H3*        A  17  -8.388   3.955  -8.516
   92    H2*    A  17           H2*        A  17  -9.268   5.715  -7.165
   93   2HO*    A  17          2HO*        A  17 -11.145   6.837  -8.573
   94    H1*    A  17           H1*        A  17 -11.838   5.180  -7.699
   95    H8     A  17           H8         A  17 -10.575   1.832  -8.139
   96   1H6     A  17          1H6         A  17  -9.957   1.344  -1.969
   97   2H6     A  17          2H6         A  17  -9.946   0.454  -3.475
   98    H2     A  17           H2         A  17 -10.740   5.631  -2.985
   99   1H5*    U  18          1H5*        U  18  -8.062   7.885  -8.236
  100   2H5*    U  18          2H5*        U  18  -6.322   8.446  -8.395
  101    H4*    U  18           H4*        U  18  -7.576   9.314  -6.393
  102    H3*    U  18           H3*        U  18  -5.476   7.241  -5.649
  103    H2*    U  18           H2*        U  18  -5.986   7.789  -3.388
  104   2HO*    U  18          2HO*        U  18  -6.845   9.667  -2.838
  105    H1*    U  18           H1*        U  18  -8.726   7.786  -3.791
  106    H3     U  18           H3         U  18  -7.575   4.025  -1.432
  107    H5     U  18           H5         U  18  -7.119   3.013  -5.471
  108    H6     U  18           H6         U  18  -7.378   5.354  -5.995
  109   1H5*    U  19          1H5*        U  19  -4.760  10.744  -3.331
  110   2H5*    U  19          2H5*        U  19  -2.977  11.158  -3.456
  111    H4*    U  19           H4*        U  19  -3.936  11.155  -1.132
  112    H3*    U  19           H3*        U  19  -2.102   8.784  -1.638
  113    H2*    U  19           H2*        U  19  -2.353   8.316   0.685
  114   2HO*    U  19          2HO*        U  19  -2.896   9.820   2.098
  115    H1*    U  19           H1*        U  19  -5.084   8.734   0.681
  116    H3     U  19           H3         U  19  -4.529   4.219   0.970
  117    H5     U  19           H5         U  19  -4.086   5.112  -3.102
  118    H6     U  19           H6         U  19  -4.080   7.434  -2.508
  119   1H5*    A  20          1H5*        A  20  -0.916  10.489   1.860
  120   2H5*    A  20          2H5*        A  20   0.901  10.728   1.936
  121    H4*    A  20           H4*        A  20  -0.152   9.480   3.873
  122    H3*    A  20           H3*        A  20   1.421   7.613   2.045
  123    H2*    A  20           H2*        A  20   1.088   5.992   3.770
  124   2HO*    A  20          2HO*        A  20   0.940   6.622   5.786
  125    H1*    A  20           H1*        A  20  -1.544   6.750   4.181
  126    H8     A  20           H8         A  20  -0.995   6.821   0.544
  127   1H6     A  20          1H6         A  20  -1.399   0.623   0.506
  128   2H6     A  20          2H6         A  20  -1.340   2.055  -0.496
  129    H2     A  20           H2         A  20  -1.178   1.995   4.761
  130   1H5*    G  21          1H5*        G  21   3.380   7.367   5.749
  131   2H5*    G  21          2H5*        G  21   5.201   7.168   5.544
  132    H4*    G  21           H4*        G  21   3.826   5.358   6.808
  133    H3*    G  21           H3*        G  21   5.011   4.376   4.180
  134    H2*    G  21           H2*        G  21   4.420   2.209   5.155
  135   2HO*    G  21          2HO*        G  21   4.962   2.722   7.366
  136    H1*    G  21           H1*        G  21   1.942   3.110   5.839
  137    H8     G  21           H8         G  21   2.622   4.842   2.677
  138    H1     G  21           H1         G  21   1.407  -1.408   1.866
  139   1H2     G  21          2H2         G  21   1.465  -2.442   3.812
  140   2H2     G  21          1H2         G  21   1.814  -1.597   5.302
  141   1H5*    C  22          1H5*        C  22   6.948   2.517   7.265
  142   2H5*    C  22          2H5*        C  22   8.735   2.128   7.110
  143    H4*    C  22           H4*        C  22   7.229   0.185   7.648
  144    H3*    C  22           H3*        C  22   8.293   0.092   4.797
  145    H2*    C  22           H2*        C  22   7.267  -2.070   4.677
  146   2HO*    C  22          2HO*        C  22   6.887  -3.233   6.421
  147    H1*    C  22           H1*        C  22   4.936  -1.269   5.890
  148   1H4     C  22          2H4         C  22   4.118  -0.698  -0.411
  149   2H4     C  22          1H4         C  22   4.639   0.968  -0.319
  150    H5     C  22           H5         C  22   5.482   1.960   1.711
  151    H6     C  22           H6         C  22   6.050   1.559   4.041
  152   1H5*    C  23          1H5*        C  23   9.584  -3.363   6.539
  153   2H5*    C  23          2H5*        C  23  11.356  -3.756   6.265
  154    H4*    C  23           H4*        C  23   9.722  -5.570   5.693
  155    H3*    C  23           H3*        C  23  10.976  -4.290   3.225
  156    H2*    C  23           H2*        C  23   9.844  -6.001   1.975
  157   2HO*    C  23          2HO*        C  23   9.292  -7.855   2.867
  158    H1*    C  23           H1*        C  23   7.491  -5.760   3.350
  159   1H4     C  23          2H4         C  23   6.829  -1.790  -1.586
  160   2H4     C  23          1H4         C  23   7.347  -0.470  -0.563
  161    H5     C  23           H5         C  23   8.195  -0.813   1.688
  162    H6     C  23           H6         C  23   8.730  -2.459   3.375
  163   1H5*    C  24          1H5*        C  24  11.391  -8.066   2.158
  164   2H5*    C  24          2H5*        C  24  13.185  -8.454   2.154
  165    H4*    C  24           H4*        C  24  12.106  -9.209   0.079
  166    H3*    C  24           H3*        C  24  13.359  -6.476  -0.442
  167    H2*    C  24           H2*        C  24  12.705  -6.786  -2.704
  168   2HO*    C  24          2HO*        C  24  12.002  -8.812  -3.457
  169    H1*    C  24           H1*        C  24  10.289  -7.992  -2.096
  170   1H4     C  24          2H4         C  24   8.901  -1.925  -3.431
  171   2H4     C  24          1H4         C  24   9.435  -1.423  -1.843
  172    H5     C  24           H5         C  24  10.421  -2.963  -0.251
  173    H6     C  24           H6         C  24  11.129  -5.255   0.126
  174    H3T    C  24           H3T        C  24  14.903  -8.064  -0.020
  Start of MODEL    2
    1    H1*  GMP   1           H1*        G   1   8.308  -3.860 -11.198
    2    H2*  GMP   1           H2*        G   1   6.173  -4.484  -9.735
    3    H3*  GMP   1           H3*        G   1   5.188  -2.289  -9.998
    4    H4*  GMP   1           H4*        G   1   5.624  -2.712 -12.984
    5   *HO2  GMP   1          2HO*        G   1   6.458  -5.819 -11.415
    6   *HO5  GMP   1          H5T         G   1   3.572  -1.049 -11.579
    7   1H5*  GMP   1          1H5*        G   1   5.682  -0.259 -11.314
    8   2H5*  GMP   1          2H5*        G   1   5.775  -0.266 -13.151
    9    H8   GMP   1           H8         G   1   7.737  -0.501 -10.149
   10    HN1  GMP   1           H1         G   1   9.184  -4.195  -5.105
   11   1HN2  GMP   1          1H2         G   1   8.558  -6.829  -7.260
   12   2HN2  GMP   1          2H2         G   1   9.006  -6.316  -5.649
   13   1H5*    G   2          1H5*        G   2   4.076  -5.646 -10.581
   14   2H5*    G   2          2H5*        G   2   2.378  -6.357 -10.466
   15    H4*    G   2           H4*        G   2   3.953  -7.788  -9.304
   16    H3*    G   2           H3*        G   2   2.778  -5.917  -7.212
   17    H2*    G   2           H2*        G   2   4.063  -7.249  -5.635
   18   2HO*    G   2          2HO*        G   2   4.802  -9.202  -6.139
   19    H1*    G   2           H1*        G   2   6.344  -7.155  -7.081
   20    H8     G   2           H8         G   2   4.851  -3.951  -7.949
   21    H1     G   2           H1         G   2   7.008  -4.081  -1.905
   22   1H2     G   2          2H2         G   2   7.413  -6.154  -1.297
   23   2H2     G   2          1H2         G   2   7.162  -7.507  -2.376
   24   1H5*    G   3          1H5*        G   3   2.534  -9.298  -5.808
   25   2H5*    G   3          2H5*        G   3   0.928 -10.077  -5.343
   26    H4*    G   3           H4*        G   3   2.540 -10.329  -3.543
   27    H3*    G   3           H3*        G   3   0.931  -7.821  -2.924
   28    H2*    G   3           H2*        G   3   2.182  -7.805  -0.843
   29   2HO*    G   3          2HO*        G   3   3.206  -9.553  -0.122
   30    H1*    G   3           H1*        G   3   4.581  -8.183  -2.051
   31    H8     G   3           H8         G   3   2.771  -6.234  -4.563
   32    H1     G   3           H1         G   3   4.426  -2.756   0.570
   33   1H2     G   3          2H2         G   3   5.010  -4.084   2.221
   34   2H2     G   3          1H2         G   3   5.000  -5.826   2.061
   35   1H5*    C   4          1H5*        C   4   0.753  -9.988   0.437
   36   2H5*    C   4          2H5*        C   4  -0.957 -10.190   1.080
   37    H4*    C   4           H4*        C   4   0.733  -9.317   2.716
   38    H3*    C   4           H3*        C   4  -1.245  -7.181   1.821
   39    H2*    C   4           H2*        C   4  -0.207  -5.779   3.466
   40   2HO*    C   4          2HO*        C   4   0.842  -6.590   5.144
   41    H1*    C   4           H1*        C   4   2.357  -6.512   2.796
   42   1H4     C   4          2H4         C   4   0.932  -1.298  -0.608
   43   2H4     C   4          1H4         C   4   0.383  -2.316  -1.920
   44    H5     C   4           H5         C   4   0.220  -4.725  -1.723
   45    H6     C   4           H6         C   4   0.556  -6.634  -0.243
   46   1H5*    U   5          1H5*        U   5  -1.457  -7.309   6.023
   47   2H5*    U   5          2H5*        U   5  -3.208  -7.392   6.562
   48    H4*    U   5           H4*        U   5  -1.806  -5.630   7.680
   49    H3*    U   5           H3*        U   5  -3.807  -4.451   5.715
   50    H2*    U   5           H2*        U   5  -3.109  -2.329   6.549
   51   2HO*    U   5          2HO*        U   5  -2.202  -2.093   8.470
   52    H1*    U   5           H1*        U   5  -0.425  -2.955   6.488
   53    H3     U   5           H3         U   5  -1.163  -0.092   3.023
   54    H5     U   5           H5         U   5  -2.103  -3.896   1.534
   55    H6     U   5           H6         U   5  -1.954  -4.723   3.779
   56   1H5*    A   6          1H5*        A   6  -4.330  -2.469   9.143
   57   2H5*    A   6          2H5*        A   6  -6.087  -2.259   9.631
   58    H4*    A   6           H4*        A   6  -4.706  -0.142   9.472
   59    H3*    A   6           H3*        A   6  -6.675  -0.387   7.148
   60    H2*    A   6           H2*        A   6  -6.037   1.873   6.667
   61   2HO*    A   6          2HO*        A   6  -5.489   3.156   8.260
   62    H1*    A   6           H1*        A   6  -3.368   1.406   7.173
   63    H8     A   6           H8         A   6  -4.383  -1.582   5.365
   64   1H6     A   6          1H6         A   6  -4.471   1.708   0.105
   65   2H6     A   6          2H6         A   6  -4.499   0.095   0.783
   66    H2     A   6           H2         A   6  -4.184   4.561   3.555
   67   1H5*    A   7          1H5*        A   7  -7.484   3.006   9.005
   68   2H5*    A   7          2H5*        A   7  -9.247   3.398   9.340
   69    H4*    A   7           H4*        A   7  -7.912   5.165   8.112
   70    H3*    A   7           H3*        A   7  -9.870   3.732   6.256
   71    H2*    A   7           H2*        A   7  -9.290   5.445   4.686
   72   2HO*    A   7          2HO*        A   7  -8.773   7.374   5.398
   73    H1*    A   7           H1*        A   7  -6.611   5.358   5.330
   74    H8     A   7           H8         A   7  -7.592   1.825   5.316
   75   1H6     A   7          1H6         A   7  -7.394   1.938  -0.875
   76   2H6     A   7          2H6         A   7  -7.466   0.912   0.538
   77    H2     A   7           H2         A   7  -7.316   6.173   0.610
   78   1H5*    U   8          1H5*        U   8 -10.906   7.626   5.983
   79   2H5*    U   8          2H5*        U   8 -12.719   7.898   6.049
   80    H4*    U   8           H4*        U   8 -11.410   8.815   4.027
   81    H3*    U   8           H3*        U   8 -13.362   6.564   3.370
   82    H2*    U   8           H2*        U   8 -12.848   7.024   1.105
   83   2HO*    U   8          2HO*        U   8 -11.441   9.357   1.923
   84    H1*    U   8           H1*        U   8 -10.133   7.615   1.626
   85    H3     U   8           H3         U   8 -10.395   4.018  -1.205
   86    H5     U   8           H5         U   8 -10.728   2.464   2.670
   87    H6     U   8           H6         U   8 -10.957   4.689   3.471
   88   1H5*    A  17          1H5*        A  17 -10.458   2.239 -10.748
   89   2H5*    A  17          2H5*        A  17  -8.917   2.853 -11.532
   90    H4*    A  17           H4*        A  17 -10.126   4.779 -10.775
   91    H3*    A  17           H3*        A  17  -8.317   3.915  -8.499
   92    H2*    A  17           H2*        A  17  -9.231   5.641  -7.145
   93   2HO*    A  17          2HO*        A  17  -9.984   7.409  -8.053
   94    H1*    A  17           H1*        A  17 -11.796   5.102  -7.681
   95    H8     A  17           H8         A  17 -10.518   1.752  -8.122
   96   1H6     A  17          1H6         A  17  -9.897   1.288  -1.950
   97   2H6     A  17          2H6         A  17  -9.881   0.395  -3.454
   98    H2     A  17           H2         A  17 -10.704   5.569  -2.981
   99   1H5*    U  18          1H5*        U  18  -8.047   7.875  -8.241
  100   2H5*    U  18          2H5*        U  18  -6.309   8.439  -8.409
  101    H4*    U  18           H4*        U  18  -7.554   9.309  -6.402
  102    H3*    U  18           H3*        U  18  -5.451   7.236  -5.664
  103    H2*    U  18           H2*        U  18  -5.955   7.784  -3.401
  104   2HO*    U  18          2HO*        U  18  -6.841   9.651  -2.842
  105    H1*    U  18           H1*        U  18  -8.695   7.776  -3.795
  106    H3     U  18           H3         U  18  -7.534   4.015  -1.445
  107    H5     U  18           H5         U  18  -7.086   3.007  -5.485
  108    H6     U  18           H6         U  18  -7.349   5.349  -6.007
  109   1H5*    U  19          1H5*        U  19  -4.774  10.737  -3.315
  110   2H5*    U  19          2H5*        U  19  -2.994  11.158  -3.447
  111    H4*    U  19           H4*        U  19  -3.943  11.157  -1.119
  112    H3*    U  19           H3*        U  19  -2.108   8.786  -1.627
  113    H2*    U  19           H2*        U  19  -2.353   8.320   0.698
  114   2HO*    U  19          2HO*        U  19  -2.922   9.818   2.115
  115    H1*    U  19           H1*        U  19  -5.084   8.732   0.700
  116    H3     U  19           H3         U  19  -4.534   4.213   0.962
  117    H5     U  19           H5         U  19  -4.086   5.131  -3.104
  118    H6     U  19           H6         U  19  -4.079   7.448  -2.496
  119   1H5*    A  20          1H5*        A  20  -0.938  10.485   1.874
  120   2H5*    A  20          2H5*        A  20   0.878  10.730   1.956
  121    H4*    A  20           H4*        A  20  -0.168   9.478   3.889
  122    H3*    A  20           H3*        A  20   1.402   7.612   2.058
  123    H2*    A  20           H2*        A  20   1.078   5.995   3.792
  124   2HO*    A  20          2HO*        A  20   0.936   6.638   5.806
  125    H1*    A  20           H1*        A  20  -1.553   6.745   4.204
  126    H8     A  20           H8         A  20  -1.025   6.797   0.563
  127   1H6     A  20          1H6         A  20  -1.296   0.592   0.570
  128   2H6     A  20          2H6         A  20  -1.290   2.020  -0.440
  129    H2     A  20           H2         A  20  -1.098   1.996   4.814
  130   1H5*    G  21          1H5*        G  21   3.378   7.357   5.762
  131   2H5*    G  21          2H5*        G  21   5.196   7.156   5.536
  132    H4*    G  21           H4*        G  21   3.824   5.345   6.808
  133    H3*    G  21           H3*        G  21   5.002   4.371   4.174
  134    H2*    G  21           H2*        G  21   4.418   2.199   5.148
  135   2HO*    G  21          2HO*        G  21   4.980   2.842   7.376
  136    H1*    G  21           H1*        G  21   1.942   3.095   5.838
  137    H8     G  21           H8         G  21   2.615   4.835   2.678
  138    H1     G  21           H1         G  21   1.414  -1.416   1.855
  139   1H2     G  21          2H2         G  21   1.473  -2.454   3.798
  140   2H2     G  21          1H2         G  21   1.821  -1.612   5.290
  141   1H5*    C  22          1H5*        C  22   6.946   2.505   7.250
  142   2H5*    C  22          2H5*        C  22   8.735   2.123   7.092
  143    H4*    C  22           H4*        C  22   7.238   0.174   7.633
  144    H3*    C  22           H3*        C  22   8.291   0.085   4.778
  145    H2*    C  22           H2*        C  22   7.269  -2.078   4.658
  146   2HO*    C  22          2HO*        C  22   6.867  -3.240   6.404
  147    H1*    C  22           H1*        C  22   4.940  -1.282   5.878
  148   1H4     C  22          2H4         C  22   4.102  -0.696  -0.418
  149   2H4     C  22          1H4         C  22   4.623   0.971  -0.324
  150    H5     C  22           H5         C  22   5.466   1.959   1.707
  151    H6     C  22           H6         C  22   6.045   1.552   4.035
  152   1H5*    C  23          1H5*        C  23   9.599  -3.362   6.511
  153   2H5*    C  23          2H5*        C  23  11.372  -3.752   6.238
  154    H4*    C  23           H4*        C  23   9.742  -5.569   5.664
  155    H3*    C  23           H3*        C  23  10.989  -4.285   3.194
  156    H2*    C  23           H2*        C  23   9.856  -5.995   1.944
  157   2HO*    C  23          2HO*        C  23   9.277  -7.846   2.837
  158    H1*    C  23           H1*        C  23   7.505  -5.757   3.325
  159   1H4     C  23          2H4         C  23   6.830  -1.775  -1.599
  160   2H4     C  23          1H4         C  23   7.346  -0.458  -0.574
  161    H5     C  23           H5         C  23   8.196  -0.805   1.676
  162    H6     C  23           H6         C  23   8.740  -2.455   3.356
  163   1H5*    C  24          1H5*        C  24  11.409  -8.065   2.121
  164   2H5*    C  24          2H5*        C  24  13.202  -8.450   2.118
  165    H4*    C  24           H4*        C  24  12.134  -9.207   0.041
  166    H3*    C  24           H3*        C  24  13.369  -6.464  -0.475
  167    H2*    C  24           H2*        C  24  12.718  -6.773  -2.738
  168   2HO*    C  24          2HO*        C  24  12.995  -9.415  -2.070
  169    H1*    C  24           H1*        C  24  10.307  -7.987  -2.134
  170   1H4     C  24          2H4         C  24   8.896  -1.916  -3.429
  171   2H4     C  24          1H4         C  24   9.438  -1.420  -1.842
  172    H5     C  24           H5         C  24  10.436  -2.966  -0.262
  173    H6     C  24           H6         C  24  11.149  -5.259   0.101
  174    H3T    C  24           H3T        C  24  14.911  -8.063  -0.043
  Start of MODEL    3
    1    H1*  GMP   1           H1*        G   1   8.385  -3.920 -11.158
    2    H2*  GMP   1           H2*        G   1   6.244  -4.518  -9.692
    3    H3*  GMP   1           H3*        G   1   5.279  -2.315  -9.965
    4    H4*  GMP   1           H4*        G   1   5.710  -2.755 -12.949
    5   *HO2  GMP   1          2HO*        G   1   6.288  -5.895 -11.320
    6   *HO5  GMP   1          H5T         G   1   3.721  -0.982 -11.412
    7   1H5*  GMP   1          1H5*        G   1   5.852  -0.284 -11.317
    8   2H5*  GMP   1          2H5*        G   1   5.836  -0.329 -13.156
    9    H8   GMP   1           H8         G   1   7.850  -0.551 -10.124
   10    HN1  GMP   1           H1         G   1   9.254  -4.239  -5.064
   11   1HN2  GMP   1          1H2         G   1   8.593  -6.875  -7.206
   12   2HN2  GMP   1          2H2         G   1   9.052  -6.361  -5.600
   13   1H5*    G   2          1H5*        G   2   4.141  -5.672 -10.546
   14   2H5*    G   2          2H5*        G   2   2.437  -6.369 -10.438
   15    H4*    G   2           H4*        G   2   3.993  -7.817  -9.273
   16    H3*    G   2           H3*        G   2   2.832  -5.936  -7.182
   17    H2*    G   2           H2*        G   2   4.100  -7.281  -5.603
   18   2HO*    G   2          2HO*        G   2   4.770  -9.252  -6.096
   19    H1*    G   2           H1*        G   2   6.386  -7.208  -7.043
   20    H8     G   2           H8         G   2   4.919  -3.993  -7.916
   21    H1     G   2           H1         G   2   7.071  -4.130  -1.870
   22   1H2     G   2          2H2         G   2   7.464  -6.204  -1.260
   23   2H2     G   2          1H2         G   2   7.200  -7.557  -2.335
   24   1H5*    G   3          1H5*        G   3   2.539  -9.319  -5.793
   25   2H5*    G   3          2H5*        G   3   0.926 -10.087  -5.332
   26    H4*    G   3           H4*        G   3   2.532 -10.354  -3.528
   27    H3*    G   3           H3*        G   3   0.947  -7.830  -2.910
   28    H2*    G   3           H2*        G   3   2.196  -7.825  -0.828
   29   2HO*    G   3          2HO*        G   3   3.153  -9.594  -0.090
   30    H1*    G   3           H1*        G   3   4.592  -8.226  -2.035
   31    H8     G   3           H8         G   3   2.801  -6.265  -4.552
   32    H1     G   3           H1         G   3   4.478  -2.789   0.575
   33   1H2     G   3          2H2         G   3   5.043  -4.118   2.232
   34   2H2     G   3          1H2         G   3   5.018  -5.860   2.079
   35   1H5*    C   4          1H5*        C   4   0.729 -10.004   0.445
   36   2H5*    C   4          2H5*        C   4  -0.983 -10.183   1.087
   37    H4*    C   4           H4*        C   4   0.718  -9.329   2.723
   38    H3*    C   4           H3*        C   4  -1.239  -7.175   1.826
   39    H2*    C   4           H2*        C   4  -0.188  -5.784   3.474
   40   2HO*    C   4          2HO*        C   4   0.836  -6.609   5.156
   41    H1*    C   4           H1*        C   4   2.369  -6.540   2.802
   42   1H4     C   4          2H4         C   4   0.994  -1.313  -0.602
   43   2H4     C   4          1H4         C   4   0.443  -2.327  -1.916
   44    H5     C   4           H5         C   4   0.252  -4.734  -1.717
   45    H6     C   4           H6         C   4   0.568  -6.646  -0.236
   46   1H5*    U   5          1H5*        U   5  -1.484  -7.326   6.019
   47   2H5*    U   5          2H5*        U   5  -3.238  -7.392   6.552
   48    H4*    U   5           H4*        U   5  -1.819  -5.650   7.681
   49    H3*    U   5           H3*        U   5  -3.808  -4.446   5.720
   50    H2*    U   5           H2*        U   5  -3.096  -2.332   6.567
   51   2HO*    U   5          2HO*        U   5  -2.207  -2.119   8.497
   52    H1*    U   5           H1*        U   5  -0.415  -2.981   6.508
   53    H3     U   5           H3         U   5  -1.134  -0.085   3.065
   54    H5     U   5           H5         U   5  -2.090  -3.874   1.546
   55    H6     U   5           H6         U   5  -1.948  -4.718   3.785
   56   1H5*    A   6          1H5*        A   6  -4.333  -2.448   9.134
   57   2H5*    A   6          2H5*        A   6  -6.094  -2.228   9.599
   58    H4*    A   6           H4*        A   6  -4.690  -0.121   9.437
   59    H3*    A   6           H3*        A   6  -6.660  -0.358   7.113
   60    H2*    A   6           H2*        A   6  -6.003   1.894   6.625
   61   2HO*    A   6          2HO*        A   6  -5.749   2.133   9.214
   62    H1*    A   6           H1*        A   6  -3.338   1.405   7.140
   63    H8     A   6           H8         A   6  -4.326  -1.574   5.327
   64   1H6     A   6          1H6         A   6  -4.484   1.726   0.075
   65   2H6     A   6          2H6         A   6  -4.495   0.112   0.749
   66    H2     A   6           H2         A   6  -4.212   4.574   3.528
   67   1H5*    A   7          1H5*        A   7  -7.474   3.043   8.953
   68   2H5*    A   7          2H5*        A   7  -9.238   3.438   9.275
   69    H4*    A   7           H4*        A   7  -7.880   5.191   8.040
   70    H3*    A   7           H3*        A   7  -9.857   3.769   6.193
   71    H2*    A   7           H2*        A   7  -9.261   5.469   4.615
   72   2HO*    A   7          2HO*        A   7  -8.997   7.000   6.715
   73    H1*    A   7           H1*        A   7  -6.583   5.360   5.263
   74    H8     A   7           H8         A   7  -7.583   1.835   5.248
   75   1H6     A   7          1H6         A   7  -7.408   1.957  -0.945
   76   2H6     A   7          2H6         A   7  -7.476   0.927   0.467
   77    H2     A   7           H2         A   7  -7.308   6.189   0.548
   78   1H5*    U   8          1H5*        U   8 -10.791   7.714   5.827
   79   2H5*    U   8          2H5*        U   8 -12.604   7.986   5.897
   80    H4*    U   8           H4*        U   8 -11.286   8.885   3.866
   81    H3*    U   8           H3*        U   8 -13.263   6.652   3.210
   82    H2*    U   8           H2*        U   8 -12.754   7.134   0.949
   83   2HO*    U   8          2HO*        U   8 -11.306   9.437   1.766
   84    H1*    U   8           H1*        U   8 -10.035   7.697   1.473
   85    H3     U   8           H3         U   8 -10.394   4.158  -1.431
   86    H5     U   8           H5         U   8 -10.678   2.537   2.423
   87    H6     U   8           H6         U   8 -10.869   4.751   3.268
   88   1H5*    A  17          1H5*        A  17 -10.690   2.862 -11.203
   89   2H5*    A  17          2H5*        A  17  -9.132   3.535 -11.899
   90    H4*    A  17           H4*        A  17 -10.327   5.381 -10.944
   91    H3*    A  17           H3*        A  17  -8.620   4.248  -8.693
   92    H2*    A  17           H2*        A  17  -9.463   6.028  -7.327
   93   2HO*    A  17          2HO*        A  17 -11.121   7.422  -8.415
   94    H1*    A  17           H1*        A  17 -12.020   5.542  -7.938
   95    H8     A  17           H8         A  17 -10.869   2.173  -8.418
   96   1H6     A  17          1H6         A  17 -10.224   1.560  -2.267
   97   2H6     A  17          2H6         A  17 -10.256   0.700  -3.789
   98    H2     A  17           H2         A  17 -10.849   5.892  -3.197
   99   1H5*    U  18          1H5*        U  18  -8.148   8.050  -8.218
  100   2H5*    U  18          2H5*        U  18  -6.404   8.598  -8.367
  101    H4*    U  18           H4*        U  18  -7.646   9.434  -6.344
  102    H3*    U  18           H3*        U  18  -5.565   7.325  -5.650
  103    H2*    U  18           H2*        U  18  -6.065   7.830  -3.377
  104   2HO*    U  18          2HO*        U  18  -6.919   9.699  -2.783
  105    H1*    U  18           H1*        U  18  -8.806   7.856  -3.776
  106    H3     U  18           H3         U  18  -7.683   4.044  -1.494
  107    H5     U  18           H5         U  18  -7.291   3.095  -5.554
  108    H6     U  18           H6         U  18  -7.517   5.448  -6.036
  109   1H5*    U  19          1H5*        U  19  -4.781  10.798  -3.300
  110   2H5*    U  19          2H5*        U  19  -2.995  11.196  -3.427
  111    H4*    U  19           H4*        U  19  -3.946  11.185  -1.100
  112    H3*    U  19           H3*        U  19  -2.135   8.802  -1.629
  113    H2*    U  19           H2*        U  19  -2.384   8.320   0.692
  114   2HO*    U  19          2HO*        U  19  -2.922   9.816   2.119
  115    H1*    U  19           H1*        U  19  -5.113   8.758   0.697
  116    H3     U  19           H3         U  19  -4.568   4.232   0.943
  117    H5     U  19           H5         U  19  -4.154   5.165  -3.123
  118    H6     U  19           H6         U  19  -4.136   7.479  -2.507
  119   1H5*    A  20          1H5*        A  20  -0.922  10.474   1.891
  120   2H5*    A  20          2H5*        A  20   0.898  10.688   1.957
  121    H4*    A  20           H4*        A  20  -0.167   9.443   3.892
  122    H3*    A  20           H3*        A  20   1.389   7.568   2.056
  123    H2*    A  20           H2*        A  20   1.047   5.950   3.785
  124   2HO*    A  20          2HO*        A  20   1.183   7.987   5.408
  125    H1*    A  20           H1*        A  20  -1.578   6.729   4.199
  126    H8     A  20           H8         A  20  -1.096   6.788   0.561
  127   1H6     A  20          1H6         A  20  -1.351   0.587   0.536
  128   2H6     A  20          2H6         A  20  -1.346   2.021  -0.465
  129    H2     A  20           H2         A  20  -1.109   1.962   4.788
  130   1H5*    G  21          1H5*        G  21   3.430   7.349   5.730
  131   2H5*    G  21          2H5*        G  21   5.247   7.134   5.494
  132    H4*    G  21           H4*        G  21   3.861   5.340   6.782
  133    H3*    G  21           H3*        G  21   5.032   4.347   4.152
  134    H2*    G  21           H2*        G  21   4.426   2.182   5.125
  135   2HO*    G  21          2HO*        G  21   4.997   2.863   7.358
  136    H1*    G  21           H1*        G  21   1.958   3.098   5.813
  137    H8     G  21           H8         G  21   2.640   4.843   2.662
  138    H1     G  21           H1         G  21   1.412  -1.400   1.815
  139   1H2     G  21          2H2         G  21   1.471  -2.446   3.752
  140   2H2     G  21          1H2         G  21   1.824  -1.613   5.246
  141   1H5*    C  22          1H5*        C  22   6.973   2.479   7.236
  142   2H5*    C  22          2H5*        C  22   8.757   2.078   7.074
  143    H4*    C  22           H4*        C  22   7.239   0.144   7.618
  144    H3*    C  22           H3*        C  22   8.293   0.044   4.763
  145    H2*    C  22           H2*        C  22   7.253  -2.112   4.648
  146   2HO*    C  22          2HO*        C  22   6.857  -3.269   6.395
  147    H1*    C  22           H1*        C  22   4.930  -1.292   5.864
  148   1H4     C  22          2H4         C  22   4.111  -0.714  -0.437
  149   2H4     C  22          1H4         C  22   4.647   0.948  -0.346
  150    H5     C  22           H5         C  22   5.502   1.932   1.682
  151    H6     C  22           H6         C  22   6.068   1.527   4.012
  152   1H5*    C  23          1H5*        C  23   9.654  -3.368   6.543
  153   2H5*    C  23          2H5*        C  23  11.422  -3.777   6.261
  154    H4*    C  23           H4*        C  23   9.770  -5.581   5.705
  155    H3*    C  23           H3*        C  23  11.020  -4.322   3.225
  156    H2*    C  23           H2*        C  23   9.868  -6.028   1.989
  157   2HO*    C  23          2HO*        C  23   9.292  -7.873   2.895
  158    H1*    C  23           H1*        C  23   7.523  -5.758   3.374
  159   1H4     C  23          2H4         C  23   6.886  -1.791  -1.570
  160   2H4     C  23          1H4         C  23   7.416  -0.475  -0.548
  161    H5     C  23           H5         C  23   8.267  -0.822   1.702
  162    H6     C  23           H6         C  23   8.791  -2.471   3.388
  163   1H5*    C  24          1H5*        C  24  11.433  -8.062   2.191
  164   2H5*    C  24          2H5*        C  24  13.217  -8.491   2.195
  165    H4*    C  24           H4*        C  24  12.151  -9.244   0.123
  166    H3*    C  24           H3*        C  24  13.404  -6.516  -0.419
  167    H2*    C  24           H2*        C  24  12.749  -6.841  -2.679
  168   2HO*    C  24          2HO*        C  24  13.218  -8.891  -3.228
  169    H1*    C  24           H1*        C  24  10.326  -8.023  -2.061
  170   1H4     C  24          2H4         C  24   8.979  -1.946  -3.392
  171   2H4     C  24          1H4         C  24   9.514  -1.449  -1.804
  172    H5     C  24           H5         C  24  10.490  -2.997  -0.212
  173    H6     C  24           H6         C  24  11.184  -5.294   0.163
  174    H3T    C  24           H3T        C  24  15.035  -7.958  -0.132
  Start of MODEL    4
    1    H1*  GMP   1           H1*        G   1   8.425  -3.803 -11.149
    2    H2*  GMP   1           H2*        G   1   6.292  -4.482  -9.709
    3    H3*  GMP   1           H3*        G   1   5.299  -2.283  -9.907
    4    H4*  GMP   1           H4*        G   1   5.731  -2.622 -12.905
    5   *HO2  GMP   1          2HO*        G   1   6.978  -5.554 -11.632
    6   *HO5  GMP   1          H5T         G   1   3.625  -1.152 -12.487
    7   1H5*  GMP   1          1H5*        G   1   6.000  -0.163 -11.305
    8   2H5*  GMP   1          2H5*        G   1   5.656  -0.247 -13.109
    9    H8   GMP   1           H8         G   1   7.881  -0.477 -10.030
   10    HN1  GMP   1           H1         G   1   9.220  -4.284  -5.040
   11   1HN2  GMP   1          1H2         G   1   8.579  -6.868  -7.249
   12   2HN2  GMP   1          2H2         G   1   9.016  -6.391  -5.624
   13   1H5*    G   2          1H5*        G   2   4.171  -5.621 -10.533
   14   2H5*    G   2          2H5*        G   2   2.469  -6.323 -10.438
   15    H4*    G   2           H4*        G   2   4.021  -7.773  -9.268
   16    H3*    G   2           H3*        G   2   2.850  -5.897  -7.177
   17    H2*    G   2           H2*        G   2   4.117  -7.241  -5.596
   18   2HO*    G   2          2HO*        G   2   3.819  -9.127  -7.475
   19    H1*    G   2           H1*        G   2   6.405  -7.161  -7.025
   20    H8     G   2           H8         G   2   4.924  -3.954  -7.909
   21    H1     G   2           H1         G   2   7.054  -4.067  -1.855
   22   1H2     G   2          2H2         G   2   7.450  -6.133  -1.235
   23   2H2     G   2          1H2         G   2   7.201  -7.492  -2.307
   24   1H5*    G   3          1H5*        G   3   2.541  -9.289  -5.816
   25   2H5*    G   3          2H5*        G   3   0.931 -10.066  -5.364
   26    H4*    G   3           H4*        G   3   2.531 -10.337  -3.556
   27    H3*    G   3           H3*        G   3   0.939  -7.818  -2.932
   28    H2*    G   3           H2*        G   3   2.186  -7.816  -0.849
   29   2HO*    G   3          2HO*        G   3   2.311 -10.451  -1.309
   30    H1*    G   3           H1*        G   3   4.584  -8.205  -2.050
   31    H8     G   3           H8         G   3   2.785  -6.248  -4.565
   32    H1     G   3           H1         G   3   4.473  -2.775   0.561
   33   1H2     G   3          2H2         G   3   5.052  -4.105   2.212
   34   2H2     G   3          1H2         G   3   5.029  -5.847   2.055
   35   1H5*    C   4          1H5*        C   4   0.709 -10.016   0.416
   36   2H5*    C   4          2H5*        C   4  -1.005 -10.199   1.053
   37    H4*    C   4           H4*        C   4   0.692  -9.345   2.696
   38    H3*    C   4           H3*        C   4  -1.265  -7.191   1.797
   39    H2*    C   4           H2*        C   4  -0.221  -5.799   3.444
   40   2HO*    C   4          2HO*        C   4   0.225  -8.108   4.684
   41    H1*    C   4           H1*        C   4   2.339  -6.552   2.779
   42   1H4     C   4          2H4         C   4   0.963  -1.332  -0.634
   43   2H4     C   4          1H4         C   4   0.416  -2.346  -1.949
   44    H5     C   4           H5         C   4   0.229  -4.754  -1.747
   45    H6     C   4           H6         C   4   0.546  -6.665  -0.263
   46   1H5*    U   5          1H5*        U   5  -1.449  -7.305   6.010
   47   2H5*    U   5          2H5*        U   5  -3.205  -7.382   6.539
   48    H4*    U   5           H4*        U   5  -1.794  -5.640   7.682
   49    H3*    U   5           H3*        U   5  -3.783  -4.432   5.723
   50    H2*    U   5           H2*        U   5  -3.078  -2.320   6.579
   51   2HO*    U   5          2HO*        U   5  -2.593  -3.692   8.796
   52    H1*    U   5           H1*        U   5  -0.397  -2.960   6.524
   53    H3     U   5           H3         U   5  -1.131  -0.044   3.102
   54    H5     U   5           H5         U   5  -2.047  -3.827   1.549
   55    H6     U   5           H6         U   5  -1.907  -4.689   3.783
   56   1H5*    A   6          1H5*        A   6  -4.303  -2.434   9.161
   57   2H5*    A   6          2H5*        A   6  -6.069  -2.231   9.622
   58    H4*    A   6           H4*        A   6  -4.675  -0.114   9.486
   59    H3*    A   6           H3*        A   6  -6.642  -0.343   7.158
   60    H2*    A   6           H2*        A   6  -5.995   1.918   6.686
   61   2HO*    A   6          2HO*        A   6  -4.676   3.064   8.161
   62    H1*    A   6           H1*        A   6  -3.328   1.438   7.195
   63    H8     A   6           H8         A   6  -4.312  -1.536   5.371
   64   1H6     A   6          1H6         A   6  -4.495   1.781   0.131
   65   2H6     A   6          2H6         A   6  -4.498   0.166   0.801
   66    H2     A   6           H2         A   6  -4.216   4.619   3.592
   67   1H5*    A   7          1H5*        A   7  -7.489   3.038   9.041
   68   2H5*    A   7          2H5*        A   7  -9.257   3.420   9.358
   69    H4*    A   7           H4*        A   7  -7.904   5.188   8.138
   70    H3*    A   7           H3*        A   7  -9.870   3.768   6.282
   71    H2*    A   7           H2*        A   7  -9.276   5.477   4.711
   72   2HO*    A   7          2HO*        A   7  -7.975   7.240   5.372
   73    H1*    A   7           H1*        A   7  -6.599   5.373   5.359
   74    H8     A   7           H8         A   7  -7.595   1.847   5.344
   75   1H6     A   7          1H6         A   7  -7.398   1.962  -0.848
   76   2H6     A   7          2H6         A   7  -7.472   0.935   0.565
   77    H2     A   7           H2         A   7  -7.306   6.196   0.641
   78   1H5*    U   8          1H5*        U   8 -10.861   7.671   5.965
   79   2H5*    U   8          2H5*        U   8 -12.673   7.951   6.021
   80    H4*    U   8           H4*        U   8 -11.347   8.836   3.994
   81    H3*    U   8           H3*        U   8 -13.314   6.592   3.351
   82    H2*    U   8           H2*        U   8 -12.792   7.029   1.084
   83   2HO*    U   8          2HO*        U   8 -11.446   9.387   1.955
   84    H1*    U   8           H1*        U   8 -10.075   7.599   1.609
   85    H3     U   8           H3         U   8 -10.355   3.981  -1.187
   86    H5     U   8           H5         U   8 -10.736   2.462   2.697
   87    H6     U   8           H6         U   8 -10.940   4.697   3.480
   88   1H5*    A  17          1H5*        A  17 -10.591   2.407 -10.890
   89   2H5*    A  17          2H5*        A  17  -9.033   3.072 -11.595
   90    H4*    A  17           H4*        A  17 -10.296   4.930 -10.726
   91    H3*    A  17           H3*        A  17  -8.471   3.951  -8.503
   92    H2*    A  17           H2*        A  17  -9.364   5.661  -7.105
   93   2HO*    A  17          2HO*        A  17 -10.224   6.699  -9.575
   94    H1*    A  17           H1*        A  17 -11.932   5.153  -7.673
   95    H8     A  17           H8         A  17 -10.723   1.791  -8.113
   96   1H6     A  17          1H6         A  17 -10.080   1.294  -1.948
   97   2H6     A  17          2H6         A  17 -10.090   0.406  -3.454
   98    H2     A  17           H2         A  17 -10.784   5.595  -2.957
   99   1H5*    U  18          1H5*        U  18  -8.136   7.918  -8.201
  100   2H5*    U  18          2H5*        U  18  -6.392   8.467  -8.366
  101    H4*    U  18           H4*        U  18  -7.635   9.353  -6.365
  102    H3*    U  18           H3*        U  18  -5.548   7.267  -5.617
  103    H2*    U  18           H2*        U  18  -6.052   7.823  -3.357
  104   2HO*    U  18          2HO*        U  18  -6.653  10.202  -4.366
  105    H1*    U  18           H1*        U  18  -8.791   7.836  -3.755
  106    H3     U  18           H3         U  18  -7.670   4.064  -1.400
  107    H5     U  18           H5         U  18  -7.226   3.052  -5.440
  108    H6     U  18           H6         U  18  -7.465   5.395  -5.962
  109   1H5*    U  19          1H5*        U  19  -4.779  10.760  -3.329
  110   2H5*    U  19          2H5*        U  19  -2.994  11.164  -3.457
  111    H4*    U  19           H4*        U  19  -3.948  11.167  -1.131
  112    H3*    U  19           H3*        U  19  -2.129   8.786  -1.641
  113    H2*    U  19           H2*        U  19  -2.382   8.314   0.682
  114   2HO*    U  19          2HO*        U  19  -2.720  10.936   0.896
  115    H1*    U  19           H1*        U  19  -5.110   8.747   0.679
  116    H3     U  19           H3         U  19  -4.564   4.225   0.947
  117    H5     U  19           H5         U  19  -4.140   5.138  -3.122
  118    H6     U  19           H6         U  19  -4.124   7.456  -2.517
  119   1H5*    A  20          1H5*        A  20  -0.934  10.471   1.886
  120   2H5*    A  20          2H5*        A  20   0.888  10.686   1.951
  121    H4*    A  20           H4*        A  20  -0.179   9.442   3.888
  122    H3*    A  20           H3*        A  20   1.383   7.572   2.054
  123    H2*    A  20           H2*        A  20   1.040   5.949   3.781
  124   2HO*    A  20          2HO*        A  20   0.107   6.577   5.776
  125    H1*    A  20           H1*        A  20  -1.587   6.721   4.188
  126    H8     A  20           H8         A  20  -1.102   6.790   0.551
  127   1H6     A  20          1H6         A  20  -1.367   0.589   0.513
  128   2H6     A  20          2H6         A  20  -1.363   2.025  -0.486
  129    H2     A  20           H2         A  20  -1.122   1.957   4.767
  130   1H5*    G  21          1H5*        G  21   3.388   7.329   5.736
  131   2H5*    G  21          2H5*        G  21   5.206   7.117   5.511
  132    H4*    G  21           H4*        G  21   3.821   5.316   6.783
  133    H3*    G  21           H3*        G  21   4.994   4.331   4.151
  134    H2*    G  21           H2*        G  21   4.394   2.164   5.124
  135   2HO*    G  21          2HO*        G  21   4.959   2.854   7.360
  136    H1*    G  21           H1*        G  21   1.921   3.077   5.809
  137    H8     G  21           H8         G  21   2.590   4.825   2.660
  138    H1     G  21           H1         G  21   1.411  -1.425   1.803
  139   1H2     G  21          2H2         G  21   1.480  -2.474   3.740
  140   2H2     G  21          1H2         G  21   1.830  -1.641   5.236
  141   1H5*    C  22          1H5*        C  22   6.942   2.478   7.234
  142   2H5*    C  22          2H5*        C  22   8.728   2.082   7.080
  143    H4*    C  22           H4*        C  22   7.215   0.146   7.624
  144    H3*    C  22           H3*        C  22   8.276   0.042   4.772
  145    H2*    C  22           H2*        C  22   7.238  -2.115   4.654
  146   2HO*    C  22          2HO*        C  22   7.709  -2.161   7.269
  147    H1*    C  22           H1*        C  22   4.912  -1.299   5.865
  148   1H4     C  22          2H4         C  22   4.100  -0.716  -0.436
  149   2H4     C  22          1H4         C  22   4.630   0.947  -0.341
  150    H5     C  22           H5         C  22   5.477   1.932   1.689
  151    H6     C  22           H6         C  22   6.044   1.525   4.019
  152   1H5*    C  23          1H5*        C  23   9.660  -3.358   6.570
  153   2H5*    C  23          2H5*        C  23  11.430  -3.759   6.295
  154    H4*    C  23           H4*        C  23   9.787  -5.573   5.738
  155    H3*    C  23           H3*        C  23  11.041  -4.312   3.259
  156    H2*    C  23           H2*        C  23   9.896  -6.022   2.020
  157   2HO*    C  23          2HO*        C  23  10.184  -7.419   4.264
  158    H1*    C  23           H1*        C  23   7.547  -5.759   3.398
  159   1H4     C  23          2H4         C  23   6.920  -1.783  -1.544
  160   2H4     C  23          1H4         C  23   7.442  -0.468  -0.516
  161    H5     C  23           H5         C  23   8.282  -0.819   1.734
  162    H6     C  23           H6         C  23   8.807  -2.468   3.420
  163   1H5*    C  24          1H5*        C  24  11.462  -8.032   2.249
  164   2H5*    C  24          2H5*        C  24  13.240  -8.484   2.278
  165    H4*    C  24           H4*        C  24  12.207  -9.255   0.203
  166    H3*    C  24           H3*        C  24  13.445  -6.523  -0.361
  167    H2*    C  24           H2*        C  24  12.802  -6.874  -2.621
  168   2HO*    C  24          2HO*        C  24  12.522  -9.584  -1.793
  169    H1*    C  24           H1*        C  24  10.383  -8.060  -2.008
  170   1H4     C  24          2H4         C  24   9.014  -1.993  -3.369
  171   2H4     C  24          1H4         C  24   9.545  -1.488  -1.781
  172    H5     C  24           H5         C  24  10.523  -3.024  -0.182
  173    H6     C  24           H6         C  24  11.222  -5.317   0.206
  174    H3T    C  24           H3T        C  24  15.168  -7.766  -0.947
  Start of MODEL    5
    1    H1*  GMP   1           H1*        G   1   8.393  -3.804 -11.145
    2    H2*  GMP   1           H2*        G   1   6.261  -4.464  -9.694
    3    H3*  GMP   1           H3*        G   1   5.275  -2.262  -9.910
    4    H4*  GMP   1           H4*        G   1   5.707  -2.632 -12.903
    5   *HO2  GMP   1          2HO*        G   1   6.816  -5.649 -11.518
    6   *HO5  GMP   1          H5T         G   1   3.624  -1.324 -12.292
    7   1H5*  GMP   1          1H5*        G   1   5.966  -0.159 -11.320
    8   2H5*  GMP   1          2H5*        G   1   5.646  -0.255 -13.128
    9    H8   GMP   1           H8         G   1   7.854  -0.468 -10.037
   10    HN1  GMP   1           H1         G   1   9.229  -4.261  -5.046
   11   1HN2  GMP   1          1H2         G   1   8.574  -6.852  -7.243
   12   2HN2  GMP   1          2H2         G   1   9.027  -6.371  -5.624
   13   1H5*    G   2          1H5*        G   2   4.137  -5.605 -10.531
   14   2H5*    G   2          2H5*        G   2   2.435  -6.305 -10.421
   15    H4*    G   2           H4*        G   2   3.997  -7.756  -9.266
   16    H3*    G   2           H3*        G   2   2.836  -5.885  -7.166
   17    H2*    G   2           H2*        G   2   4.111  -7.229  -5.593
   18   2HO*    G   2          2HO*        G   2   3.802  -9.115  -7.464
   19    H1*    G   2           H1*        G   2   6.394  -7.147  -7.036
   20    H8     G   2           H8         G   2   4.916  -3.934  -7.897
   21    H1     G   2           H1         G   2   7.089  -4.084  -1.860
   22   1H2     G   2          2H2         G   2   7.486  -6.156  -1.256
   23   2H2     G   2          1H2         G   2   7.225  -7.507  -2.336
   24   1H5*    G   3          1H5*        G   3   2.523  -9.284  -5.808
   25   2H5*    G   3          2H5*        G   3   0.912 -10.057  -5.347
   26    H4*    G   3           H4*        G   3   2.523 -10.330  -3.548
   27    H3*    G   3           H3*        G   3   0.933  -7.814  -2.916
   28    H2*    G   3           H2*        G   3   2.187  -7.810  -0.838
   29   2HO*    G   3          2HO*        G   3   2.308 -10.444  -1.293
   30    H1*    G   3           H1*        G   3   4.582  -8.201  -2.049
   31    H8     G   3           H8         G   3   2.779  -6.242  -4.557
   32    H1     G   3           H1         G   3   4.480  -2.771   0.566
   33   1H2     G   3          2H2         G   3   5.063  -4.100   2.215
   34   2H2     G   3          1H2         G   3   5.039  -5.842   2.058
   35   1H5*    C   4          1H5*        C   4   0.704 -10.011   0.422
   36   2H5*    C   4          2H5*        C   4  -1.008 -10.194   1.068
   37    H4*    C   4           H4*        C   4   0.695  -9.337   2.701
   38    H3*    C   4           H3*        C   4  -1.268  -7.187   1.807
   39    H2*    C   4           H2*        C   4  -0.218  -5.791   3.448
   40   2HO*    C   4          2HO*        C   4   0.250  -8.111   4.678
   41    H1*    C   4           H1*        C   4   2.340  -6.543   2.777
   42   1H4     C   4          2H4         C   4   0.952  -1.324  -0.636
   43   2H4     C   4          1H4         C   4   0.403  -2.340  -1.949
   44    H5     C   4           H5         C   4   0.215  -4.748  -1.744
   45    H6     C   4           H6         C   4   0.539  -6.658  -0.261
   46   1H5*    U   5          1H5*        U   5  -1.473  -7.317   6.011
   47   2H5*    U   5          2H5*        U   5  -3.226  -7.387   6.546
   48    H4*    U   5           H4*        U   5  -1.808  -5.643   7.676
   49    H3*    U   5           H3*        U   5  -3.801  -4.441   5.718
   50    H2*    U   5           H2*        U   5  -3.092  -2.327   6.562
   51   2HO*    U   5          2HO*        U   5  -2.583  -3.705   8.780
   52    H1*    U   5           H1*        U   5  -0.410  -2.971   6.502
   53    H3     U   5           H3         U   5  -1.152  -0.053   3.084
   54    H5     U   5           H5         U   5  -2.066  -3.836   1.531
   55    H6     U   5           H6         U   5  -1.921  -4.700   3.764
   56   1H5*    A   6          1H5*        A   6  -4.315  -2.448   9.153
   57   2H5*    A   6          2H5*        A   6  -6.075  -2.244   9.630
   58    H4*    A   6           H4*        A   6  -4.688  -0.126   9.486
   59    H3*    A   6           H3*        A   6  -6.660  -0.355   7.163
   60    H2*    A   6           H2*        A   6  -6.017   1.907   6.689
   61   2HO*    A   6          2HO*        A   6  -4.690   3.050   8.160
   62    H1*    A   6           H1*        A   6  -3.347   1.427   7.187
   63    H8     A   6           H8         A   6  -4.369  -1.551   5.377
   64   1H6     A   6          1H6         A   6  -4.490   1.752   0.125
   65   2H6     A   6          2H6         A   6  -4.516   0.138   0.798
   66    H2     A   6           H2         A   6  -4.188   4.597   3.578
   67   1H5*    A   7          1H5*        A   7  -7.476   3.033   9.039
   68   2H5*    A   7          2H5*        A   7  -9.241   3.418   9.368
   69    H4*    A   7           H4*        A   7  -7.897   5.189   8.149
   70    H3*    A   7           H3*        A   7  -9.863   3.769   6.290
   71    H2*    A   7           H2*        A   7  -9.278   5.483   4.722
   72   2HO*    A   7          2HO*        A   7  -7.974   7.245   5.385
   73    H1*    A   7           H1*        A   7  -6.597   5.380   5.362
   74    H8     A   7           H8         A   7  -7.598   1.853   5.351
   75   1H6     A   7          1H6         A   7  -7.426   1.966  -0.841
   76   2H6     A   7          2H6         A   7  -7.498   0.940   0.572
   77    H2     A   7           H2         A   7  -7.315   6.201   0.645
   78   1H5*    U   8          1H5*        U   8 -10.882   7.697   6.095
   79   2H5*    U   8          2H5*        U   8 -12.693   7.980   6.173
   80    H4*    U   8           H4*        U   8 -11.401   8.964   4.186
   81    H3*    U   8           H3*        U   8 -13.328   6.710   3.448
   82    H2*    U   8           H2*        U   8 -12.807   7.231   1.199
   83   2HO*    U   8          2HO*        U   8 -12.939   9.470   1.222
   84    H1*    U   8           H1*        U   8 -10.098   7.777   1.719
   85    H3     U   8           H3         U   8 -10.391   4.147  -1.068
   86    H5     U   8           H5         U   8 -10.802   2.647   2.824
   87    H6     U   8           H6         U   8 -10.991   4.883   3.595
   88   1H5*    A  17          1H5*        A  17 -10.572   2.249 -10.592
   89   2H5*    A  17          2H5*        A  17  -9.031   2.819 -11.410
   90    H4*    A  17           H4*        A  17 -10.210   4.787 -10.738
   91    H3*    A  17           H3*        A  17  -8.436   3.999  -8.408
   92    H2*    A  17           H2*        A  17  -9.338   5.791  -7.139
   93   2HO*    A  17          2HO*        A  17 -10.235   6.651  -9.679
   94    H1*    A  17           H1*        A  17 -11.906   5.266  -7.677
   95    H8     A  17           H8         A  17 -10.677   1.888  -7.965
   96   1H6     A  17          1H6         A  17 -10.089   1.663  -1.779
   97   2H6     A  17          2H6         A  17 -10.077   0.710  -3.246
   98    H2     A  17           H2         A  17 -10.857   5.902  -2.973
   99   1H5*    U  18          1H5*        U  18  -8.129   7.912  -8.206
  100   2H5*    U  18          2H5*        U  18  -6.387   8.462  -8.372
  101    H4*    U  18           H4*        U  18  -7.628   9.342  -6.366
  102    H3*    U  18           H3*        U  18  -5.538   7.256  -5.629
  103    H2*    U  18           H2*        U  18  -6.037   7.808  -3.366
  104   2HO*    U  18          2HO*        U  18  -6.662  10.187  -4.383
  105    H1*    U  18           H1*        U  18  -8.777   7.819  -3.758
  106    H3     U  18           H3         U  18  -7.638   4.049  -1.409
  107    H5     U  18           H5         U  18  -7.207   3.039  -5.450
  108    H6     U  18           H6         U  18  -7.453   5.383  -5.970
  109   1H5*    U  19          1H5*        U  19  -4.775  10.753  -3.326
  110   2H5*    U  19          2H5*        U  19  -2.991  11.155  -3.457
  111    H4*    U  19           H4*        U  19  -3.941  11.156  -1.129
  112    H3*    U  19           H3*        U  19  -2.124   8.774  -1.646
  113    H2*    U  19           H2*        U  19  -2.369   8.301   0.676
  114   2HO*    U  19          2HO*        U  19  -2.727  10.928   0.884
  115    H1*    U  19           H1*        U  19  -5.098   8.735   0.683
  116    H3     U  19           H3         U  19  -4.557   4.214   0.953
  117    H5     U  19           H5         U  19  -4.136   5.121  -3.118
  118    H6     U  19           H6         U  19  -4.117   7.441  -2.517
  119   1H5*    A  20          1H5*        A  20  -0.922  10.467   1.869
  120   2H5*    A  20          2H5*        A  20   0.898  10.694   1.934
  121    H4*    A  20           H4*        A  20  -0.154   9.453   3.877
  122    H3*    A  20           H3*        A  20   1.403   7.577   2.044
  123    H2*    A  20           H2*        A  20   1.070   5.961   3.777
  124   2HO*    A  20          2HO*        A  20   0.141   6.596   5.772
  125    H1*    A  20           H1*        A  20  -1.557   6.725   4.189
  126    H8     A  20           H8         A  20  -1.015   6.796   0.552
  127   1H6     A  20          1H6         A  20  -1.382   0.595   0.514
  128   2H6     A  20          2H6         A  20  -1.339   2.029  -0.487
  129    H2     A  20           H2         A  20  -1.163   1.969   4.771
  130   1H5*    G  21          1H5*        G  21   3.383   7.325   5.738
  131   2H5*    G  21          2H5*        G  21   5.203   7.117   5.521
  132    H4*    G  21           H4*        G  21   3.823   5.315   6.792
  133    H3*    G  21           H3*        G  21   4.992   4.330   4.158
  134    H2*    G  21           H2*        G  21   4.397   2.162   5.132
  135   2HO*    G  21          2HO*        G  21   4.932   2.607   7.336
  136    H1*    G  21           H1*        G  21   1.926   3.072   5.821
  137    H8     G  21           H8         G  21   2.597   4.818   2.669
  138    H1     G  21           H1         G  21   1.400  -1.429   1.817
  139   1H2     G  21          2H2         G  21   1.466  -2.477   3.755
  140   2H2     G  21          1H2         G  21   1.812  -1.643   5.251
  141   1H5*    C  22          1H5*        C  22   6.949   2.478   7.238
  142   2H5*    C  22          2H5*        C  22   8.735   2.083   7.076
  143    H4*    C  22           H4*        C  22   7.223   0.145   7.623
  144    H3*    C  22           H3*        C  22   8.276   0.046   4.768
  145    H2*    C  22           H2*        C  22   7.240  -2.111   4.650
  146   2HO*    C  22          2HO*        C  22   7.705  -2.144   7.275
  147    H1*    C  22           H1*        C  22   4.916  -1.299   5.869
  148   1H4     C  22          2H4         C  22   4.091  -0.712  -0.430
  149   2H4     C  22          1H4         C  22   4.623   0.951  -0.336
  150    H5     C  22           H5         C  22   5.473   1.935   1.695
  151    H6     C  22           H6         C  22   6.043   1.526   4.023
  152   1H5*    C  23          1H5*        C  23   9.684  -3.331   6.560
  153   2H5*    C  23          2H5*        C  23  11.452  -3.736   6.280
  154    H4*    C  23           H4*        C  23   9.804  -5.545   5.728
  155    H3*    C  23           H3*        C  23  11.050  -4.287   3.245
  156    H2*    C  23           H2*        C  23   9.901  -5.995   2.011
  157   2HO*    C  23          2HO*        C  23  10.181  -7.385   4.271
  158    H1*    C  23           H1*        C  23   7.557  -5.732   3.397
  159   1H4     C  23          2H4         C  23   6.901  -1.767  -1.546
  160   2H4     C  23          1H4         C  23   7.429  -0.449  -0.525
  161    H5     C  23           H5         C  23   8.280  -0.794   1.722
  162    H6     C  23           H6         C  23   8.814  -2.440   3.409
  163   1H5*    C  24          1H5*        C  24  11.467  -8.013   2.230
  164   2H5*    C  24          2H5*        C  24  13.247  -8.460   2.255
  165    H4*    C  24           H4*        C  24  12.213  -9.230   0.180
  166    H3*    C  24           H3*        C  24  13.435  -6.491  -0.384
  167    H2*    C  24           H2*        C  24  12.790  -6.851  -2.646
  168   2HO*    C  24          2HO*        C  24  13.480  -9.206  -2.467
  169    H1*    C  24           H1*        C  24  10.375  -8.035  -2.023
  170   1H4     C  24          2H4         C  24   9.008  -1.963  -3.366
  171   2H4     C  24          1H4         C  24   9.546  -1.461  -1.779
  172    H5     C  24           H5         C  24  10.527  -3.002  -0.186
  173    H6     C  24           H6         C  24  11.226  -5.296   0.194
  174    H3T    C  24           H3T        C  24  14.825  -8.329   0.196