*HEADER    RNA                                     03-SEP-01   1JWC              
*TITLE     NMR SOLUTION STRUCTURE OF THE RNA HAIRPIN BINDING SITE FOR            
*TITLE    2 THE HISTONE STEM-LOOP BINDING PROTEIN                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*GP*CP*CP*AP*AP*AP*GP*GP*CP*CP*CP*UP*UP*UP*UP*CP*AP*GP          
*COMPND   4 *GP*GP*CP*CP*AP*CP*CP*CP*A)-3';                                      
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: HISTONE MRNA 3' STEM LOOP                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY AT THE 3'              
*SOURCE   4 END OF THE REPLICATION-DEPENDENT HISTONE MRNAS OF                    
*SOURCE   5 VERTEBRATES. THIS SEQUENCE CORRESPONDS TO THE MOUSE H4-12            
*SOURCE   6 GENE.                                                                
*KEYWDS    HAIRPIN, TETRALOOP, 3' STACK                                          
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    E.S.DEJONG, W.F.MARZLUFF, E.P.NIKONOWICZ                              
*REVDAT   1   20-MAR-02 1JWC    0                                                
assign ( resid 23 and name H42  ) ( resid 8 and name O6   ) 2.00 0.2 0.5
assign ( resid 23 and name N4   ) ( resid 8 and name O6   ) 2.90 0.3 0.7
assign ( resid 23 and name N3   ) ( resid 8 and name H1   ) 2.00 0.2 0.5
assign ( resid 23 and name N3   ) ( resid 8 and name N1   ) 2.90 0.3 0.7
assign ( resid 23 and name O2   ) ( resid 8 and name H22  ) 2.00 0.2 0.5
assign ( resid 23 and name O2   ) ( resid 8 and name N2   ) 2.90 0.3 0.7
assign ( resid 22 and name H42  ) ( resid 9 and name O6   ) 2.00 0.2 0.5
assign ( resid 22 and name N4   ) ( resid 9 and name O6   ) 2.90 0.3 0.7
assign ( resid 22 and name N3   ) ( resid 9 and name H1   ) 2.00 0.2 0.5
assign ( resid 22 and name N3   ) ( resid 9 and name N1   ) 2.90 0.3 0.7
assign ( resid 22 and name O2   ) ( resid 9 and name H22  ) 2.00 0.2 0.5
assign ( resid 22 and name O2   ) ( resid 9 and name N2   ) 2.90 0.3 0.7
assign ( resid 10 and name H42  ) ( resid 21 and name O6   ) 2.00 0.2 0.5
assign ( resid 10 and name N4   ) ( resid 21 and name O6   ) 2.90 0.3 0.7
assign ( resid 10 and name N3   ) ( resid 21 and name H1   ) 2.00 0.2 0.5
assign ( resid 10 and name N3   ) ( resid 21 and name N1   ) 2.90 0.3 0.7
assign ( resid 10 and name O2   ) ( resid 21 and name H22  ) 2.00 0.2 0.5
assign ( resid 10 and name O2   ) ( resid 21 and name N2   ) 2.90 0.3 0.7
assign ( resid 11 and name H42  ) ( resid 20 and name O6   ) 2.00 0.2 0.5
assign ( resid 11 and name N4   ) ( resid 20 and name O6   ) 2.90 0.3 0.7
assign ( resid 11 and name N3   ) ( resid 20 and name H1   ) 2.00 0.2 0.5
assign ( resid 11 and name N3   ) ( resid 20 and name N1   ) 2.90 0.3 0.7
assign ( resid 11 and name O2   ) ( resid 20 and name H22  ) 2.00 0.2 0.5
assign ( resid 11 and name O2   ) ( resid 20 and name N2   ) 2.90 0.3 0.7
assign ( resid 12 and name H42  ) ( resid 19 and name O6   ) 2.00 0.2 0.5
assign ( resid 12 and name N4   ) ( resid 19 and name O6   ) 2.90 0.3 0.7
assign ( resid 12 and name N3   ) ( resid 19 and name H1   ) 2.00 0.2 0.5
assign ( resid 12 and name N3   ) ( resid 19 and name N1   ) 2.90 0.3 0.7
assign ( resid 12 and name O2   ) ( resid 19 and name H22  ) 2.00 0.2 0.5
assign ( resid 12 and name O2   ) ( resid 19 and name N2   ) 2.90 0.3 0.7
assign ( resid 13 and name O4   ) ( resid 18 and name H61  ) 2.00 0.2 0.5
assign ( resid 13 and name O4   ) ( resid 18 and name N6   ) 2.90 0.3 0.7
assign ( resid 13 and name H3   ) ( resid 18 and name N1   ) 2.00 0.2 0.5
assign ( resid 13 and name N3   ) ( resid 18 and name N1   ) 2.90 0.3 0.7
assign ( resid 1  and name H1'  ) ( resid 1  and name H8   ) 3.90 3.9 2.1
assign ( resid 1  and name H2'' ) ( resid 1  and name H8   ) 3.40 3.4 1.6
assign ( resid 1  and name H3'  ) ( resid 1  and name H8   ) 3.90 3.9 2.1
assign ( resid 1  and name H1'  ) ( resid 2  and name H8   ) 3.90 3.9 2.1
assign ( resid 1  and name H8   ) ( resid 2  and name H8   ) 3.90 3.9 2.1
assign ( resid 2  and name H8   ) ( resid 3  and name H6   ) 3.40 3.4 1.6
assign ( resid 4  and name H6   ) ( resid 5  and name H8   ) 3.40 3.4 1.6
assign ( resid 4  and name H6   ) ( resid 5  and name H2   ) 2.90 2.9 1.1
assign ( resid 5  and name H1'  ) ( resid 5  and name H8   ) 3.90 3.9 2.1
assign ( resid 5  and name H2'' ) ( resid 5  and name H8   ) 3.40 3.4 1.6
assign ( resid 5  and name H3'  ) ( resid 5  and name H8   ) 3.90 3.9 2.1
assign ( resid 5  and name H1'  ) ( resid 6  and name H8   ) 3.90 3.9 2.1
assign ( resid 5  and name H2   ) ( resid 6  and name H2   ) 3.40 3.4 1.6
assign ( resid 6  and name H1'  ) ( resid 6  and name H8   ) 3.90 3.9 2.1
assign ( resid 6  and name H2'' ) ( resid 6  and name H8   ) 3.40 3.4 1.6
assign ( resid 6  and name H3'  ) ( resid 6  and name H8   ) 3.90 3.9 2.1
assign ( resid 6  and name H1'  ) ( resid 7  and name H8   ) 3.90 3.9 2.1
assign ( resid 6  and name H8   ) ( resid 7  and name H8   ) 3.40 3.4 1.6
assign ( resid 6  and name H8   ) ( resid 7  and name H2   ) 3.40 3.4 1.6
assign ( resid 7  and name H1'  ) ( resid 7  and name H8   ) 3.90 3.9 2.1
assign ( resid 7  and name H2'' ) ( resid 7  and name H8   ) 3.40 3.4 1.6
assign ( resid 7  and name H3'  ) ( resid 7  and name H8   ) 3.90 3.9 2.1
assign ( resid 7  and name H2   ) ( resid 8  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H1'  ) ( resid 8  and name H5'' ) 3.90 3.9 2.1
assign ( resid 8  and name H1'  ) ( resid 8  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H2'' ) ( resid 8  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H3'  ) ( resid 8  and name H8   ) 3.90 3.9 2.1
assign ( resid 8  and name H4'  ) ( resid 8  and name H8   ) 3.90 3.9 2.1
assign ( resid 8  and name H5'  ) ( resid 8  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H5'' ) ( resid 8  and name H8   ) 3.90 3.9 2.1
assign ( resid 8  and name H1'  ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H2'' ) ( resid 9  and name H8   ) 2.90 2.9 1.1
assign ( resid 8  and name H3'  ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H8   ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 8  and name H2'' ) ( resid 9  and name H1'  ) 3.90 3.9 2.1
assign ( resid 8  and name H1'  ) ( resid 9  and name H5'' ) 3.90 3.9 2.1
assign ( resid 8  and name H1   ) ( resid 23 and name H41  ) 2.90 2.9 1.1
assign ( resid 8  and name H1   ) ( resid 23 and name H41  ) 2.90 2.9 1.1
assign ( resid 9  and name H1'  ) ( resid 9  and name H8   ) 3.90 3.9 2.1
assign ( resid 9  and name H2'' ) ( resid 9  and name H8   ) 2.90 2.9 1.1
assign ( resid 9  and name H3'  ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 9  and name H4'  ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 9  and name H5'' ) ( resid 9  and name H8   ) 3.40 3.4 1.6
assign ( resid 9  and name H1'  ) ( resid 10 and name H6   ) 3.90 3.9 2.1 
assign ( resid 9  and name H2'' ) ( resid 10 and name H6   ) 2.90 2.9 1.1
assign ( resid 9  and name H3'  ) ( resid 10 and name H6   ) 3.40 3.4 1.6
assign ( resid 9  and name H2'' ) ( resid 10 and name H5   ) 3.40 3.4 1.6
assign ( resid 9  and name H3'  ) ( resid 10 and name H5   ) 3.40 3.4 1.6
assign ( resid 9  and name H1'  ) ( resid 9  and name H5'' ) 3.90 3.9 2.1
assign ( resid 9  and name H2'' ) ( resid 10 and name H1'  ) 3.40 3.4 1.6
assign ( resid 9  and name H8   ) ( resid 10 and name H5   ) 3.40 3.4 1.6
assign ( resid 9  and name H1   ) ( resid 21 and name H1'  ) 4.40 4.4 2.6
assign ( resid 9  and name H1   ) ( resid 22 and name H1'  ) 3.90 3.9 2.1
assign ( resid 9  and name H1   ) ( resid 22 and name H5   ) 3.90 3.9 2.1
assign ( resid 9  and name H1   ) ( resid 22 and name H41  ) 2.90 2.9 1.1
assign ( resid 9  and name H1   ) ( resid 22 and name H41  ) 2.90 2.9 1.1
assign ( resid 9  and name H1   ) ( resid 23 and name H41  ) 3.90 3.9 2.1
assign ( resid 10 and name H1'  ) ( resid 10 and name H5   ) 3.90 3.9 2.1
assign ( resid 10 and name H1'  ) ( resid 10 and name H6   ) 3.90 3.9 2.1
assign ( resid 10 and name H2'' ) ( resid 10 and name H6   ) 2.90 2.9 1.1
assign ( resid 10 and name H3'  ) ( resid 10 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H4'  ) ( resid 10 and name H6   ) 3.90 3.9 2.1
assign ( resid 10 and name H5'  ) ( resid 10 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H5'' ) ( resid 10 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H1'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H2'' ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H3'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 10 and name H2'' ) ( resid 11 and name H5   ) 3.40 3.4 1.6
assign ( resid 10 and name H3'  ) ( resid 11 and name H5   ) 3.40 3.4 1.6
assign ( resid 10 and name H1'  ) ( resid 10 and name H5'' ) 3.90 3.9 2.1
assign ( resid 10 and name H1'  ) ( resid 11 and name H5'' ) 3.90 3.9 2.1
assign ( resid 10 and name H6   ) ( resid 11 and name H5   ) 3.40 3.4 1.6
assign ( resid 10 and name H5   ) ( resid 11 and name H5   ) 3.40 3.4 1.6
assign ( resid 10 and name H41  ) ( resid 21 and name H1   ) 2.90 2.9 1.1
assign ( resid 10 and name H42  ) ( resid 21 and name H1   ) 2.90 2.9 1.1
assign ( resid 10 and name H41  ) ( resid 11 and name H41  ) 3.90 3.9 2.1
assign ( resid 10 and name H41  ) ( resid 22 and name H42  ) 3.90 3.9 2.1
assign ( resid 11 and name H1'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H2'' ) ( resid 11 and name H6   ) 2.90 2.9 1.1
assign ( resid 11 and name H3'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H4'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H5'  ) ( resid 11 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H1'  ) ( resid 12 and name H6   ) 3.90 3.9 2.1
assign ( resid 11 and name H2'' ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H3'  ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 11 and name H4'  ) ( resid 12 and name H6   ) 3.90 3.9 2.1
assign ( resid 11 and name H5'  ) ( resid 12 and name H6   ) 3.90 3.9 2.1
assign ( resid 11 and name H5'' ) ( resid 12 and name H6   ) 3.90 3.9 2.1
assign ( resid 11 and name H2'' ) ( resid 12 and name H5   ) 3.40 3.4 1.6
assign ( resid 11 and name H3'  ) ( resid 12 and name H5   ) 3.40 3.4 1.6
assign ( resid 11 and name H1'  ) ( resid 11 and name H5'' ) 3.90 3.9 2.1
assign ( resid 11 and name H1'  ) ( resid 12 and name H5'' ) 3.90 3.9 2.1
assign ( resid 11 and name H6   ) ( resid 12 and name H5   ) 3.40 3.4 1.6
assign ( resid 11 and name H1'  ) ( resid 20 and name H1   ) 3.90 3.9 2.1
assign ( resid 11 and name H41  ) ( resid 20 and name H1   ) 2.90 2.9 1.1
assign ( resid 11 and name H42  ) ( resid 20 and name H1   ) 2.90 2.9 1.1
assign ( resid 11 and name H5   ) ( resid 12 and name H41  ) 3.90 3.9 2.1
assign ( resid 11 and name H41  ) ( resid 12 and name H41  ) 3.90 3.9 2.1
assign ( resid 12 and name H1'  ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H2'' ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H3'  ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H4'  ) ( resid 12 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H1'  ) ( resid 13 and name H6   ) 3.90 3.9 2.1
assign ( resid 12 and name H2'' ) ( resid 13 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H3'  ) ( resid 13 and name H6   ) 3.40 3.4 1.6
assign ( resid 12 and name H2'' ) ( resid 13 and name H5   ) 3.40 3.4 1.6
assign ( resid 12 and name H3'  ) ( resid 13 and name H5   ) 3.40 3.4 1.6
assign ( resid 12 and name H1'  ) ( resid 12 and name H5'' ) 3.90 3.9 2.1
assign ( resid 12 and name H1'  ) ( resid 13 and name H5'' ) 3.90 3.9 2.1
assign ( resid 12 and name H1'  ) ( resid 19 and name H1   ) 3.90 3.9 2.1
assign ( resid 12 and name H41  ) ( resid 19 and name H1   ) 2.90 2.9 1.1
assign ( resid 12 and name H42  ) ( resid 19 and name H1   ) 2.90 2.9 1.1
assign ( resid 12 and name H6   ) ( resid 13 and name H5   ) 3.40 3.4 1.6
assign ( resid 13 and name H1'  ) ( resid 13 and name H6   ) 3.90 3.9 1.1
assign ( resid 13 and name H2'' ) ( resid 13 and name H6   ) 3.90 3.9 1.1
assign ( resid 13 and name H3'  ) ( resid 13 and name H6   ) 3.40 3.4 1.6
assign ( resid 13 and name H5'  ) ( resid 13 and name H6   ) 3.40 3.4 1.6
assign ( resid 13 and name H5'' ) ( resid 13 and name H6   ) 3.40 3.4 1.6
assign ( resid 13 and name H1'  ) ( resid 14 and name H6   ) 3.40 3.4 1.6
assign ( resid 13 and name H5'' ) ( resid 14 and name H6   ) 3.90 3.9 1.1
assign ( resid 13 and name H6   ) ( resid 14 and name H1'  ) 3.40 3.4 1.6
assign ( resid 13 and name H1'  ) ( resid 13 and name H5'  ) 3.90 3.9 1.1
assign ( resid 13 and name H1'  ) ( resid 13 and name H5'' ) 3.90 3.9 1.1
assign ( resid 13 and name H2'' ) ( resid 14 and name H1'  ) 3.90 3.9 1.1
assign ( resid 13 and name H6   ) ( resid 14 and name H5  ) 3.40 3.4 1.6
assign ( resid 13 and name H3'  ) ( resid 14 and name H6   ) 3.40 3.4 1.6
assign ( resid 13 and name H4'  ) ( resid 14 and name H6   ) 3.40 3.4 1.6
assign ( resid 14 and name H1'  ) ( resid 14 and name H6   ) 3.90 3.9 1.1
assign ( resid 14 and name H2'' ) ( resid 14 and name H6   ) 2.90 2.9 1.1
assign ( resid 14 and name H4'  ) ( resid 14 and name H6   ) 3.90 3.9 1.1
assign ( resid 14 and name H5'' ) ( resid 14 and name H6   ) 3.90 3.9 1.1
assign ( resid 14 and name H1'  ) ( resid 15 and name H6   ) 3.90 3.9 1.1
assign ( resid 14 and name H4'  ) ( resid 15 and name H6   ) 3.40 3.4 1.6
assign ( resid 14 and name H5   ) ( resid 15 and name H5   ) 3.40 3.4 1.6
assign ( resid 14 and name H6   ) ( resid 15 and name H5   ) 2.90 2.9 0.6
assign ( resid 14 and name H5'' ) ( resid 15 and name H6   ) 3.40 3.4 1.6
assign ( resid 14 and name H2'' ) ( resid 15 and name H6   ) 3.40 3.4 1.6
assign ( resid 14 and name H2'' ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 15 and name H6   ) ( resid 15 and name H1'  ) 3.40 3.4 1.6
assign ( resid 15 and name H6   ) ( resid 15 and name H2'' ) 2.90 2.9 0.6
assign ( resid 15 and name H6   ) ( resid 15 and name H3'  ) 3.40 3.4 1.6
assign ( resid 15 and name H6   ) ( resid 15 and name H4'  ) 3.40 3.4 1.6
assign ( resid 15 and name H6   ) ( resid 15 and name H5'  ) 3.90 3.9 1.1
assign ( resid 15 and name H1'  ) ( resid 16 and name H1'  ) 3.90 3.9 2.1
assign ( resid 15 and name H1'  ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 15 and name H2'' ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 15 and name H3'  ) ( resid 16 and name H6   ) 3.40 3.4 1.6
assign ( resid 15 and name H6   ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 16 and name H1'  ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 16 and name H2'' ) ( resid 16 and name H6   ) 2.90 2.9 0.6
assign ( resid 16 and name H3'  ) ( resid 16 and name H6   ) 3.40 3.4 1.6
assign ( resid 16 and name H5'  ) ( resid 16 and name H6   ) 3.40 3.4 1.6
assign ( resid 16 and name H5'' ) ( resid 16 and name H6   ) 3.40 3.4 1.6
assign ( resid 16 and name H1'  ) ( resid 17 and name H5   ) 3.90 3.9 1.1
assign ( resid 16 and name H1'  ) ( resid 17 and name H6   ) 3.90 3.9 1.1
assign ( resid 16 and name H4'  ) ( resid 17 and name H6   ) 3.40 3.4 1.6
assign ( resid 18 and name H1'  ) ( resid 16 and name H6   ) 3.90 3.9 1.1
assign ( resid 16 and name H1'  ) ( resid 18 and name H8   ) 3.90 3.9 1.1
assign ( resid 16 and name H4'  ) ( resid 18 and name H8   ) 3.90 3.9 1.1
assign ( resid 16 and name H6   ) ( resid 18 and name H2   ) 3.90 3.9 1.1
assign ( resid 16 and name H6   ) ( resid 18 and name H8   ) 3.90 3.9 1.1
assign ( resid 17 and name H1'  ) ( resid 17 and name H6   ) 3.40 3.4 1.6
assign ( resid 17 and name H2'' ) ( resid 17 and name H6   ) 3.90 3.9 1.1
assign ( resid 17 and name H3'  ) ( resid 17 and name H6   ) 2.90 2.9 0.6
assign ( resid 17 and name H5'  ) ( resid 17 and name H6   ) 3.90 3.9 1.1
assign ( resid 17 and name H5'' ) ( resid 17 and name H6   ) 3.40 3.4 1.6
assign ( resid 17 and name H1'  ) ( resid 18 and name H8   ) 3.40 3.4 1.6
assign ( resid 17 and name H3'  ) ( resid 18 and name H8   ) 3.40 3.4 1.6
assign ( resid 17 and name H4'  ) ( resid 18 and name H8   ) 2.90 2.9 0.6
assign ( resid 17 and name H5'  ) ( resid 18 and name H8   ) 2.90 2.9 0.6
assign ( resid 17 and name H5'' ) ( resid 18 and name H8   ) 2.90 2.9 0.6
assign ( resid 17 and name H1'  ) ( resid 17 and name H5'  ) 3.90 3.9 1.1
assign ( resid 17 and name H1'  ) ( resid 17 and name H5'' ) 3.90 3.9 2.1
assign ( resid 18 and name H1'  ) ( resid 17 and name H5'' ) 3.90 3.9 1.1
assign ( resid 17 and name H6   ) ( resid 18 and name H8   ) 3.90 3.9 1.1
assign ( resid 18 and name H1'  ) ( resid 18 and name H8   ) 3.40 3.4 1.6
assign ( resid 18 and name H2'' ) ( resid 18 and name H8   ) 3.40 3.4 1.6
assign ( resid 18 and name H4'  ) ( resid 18 and name H8   ) 3.40 3.4 1.6
assign ( resid 18 and name H5'  ) ( resid 18 and name H8   ) 2.90 2.9 1.1
assign ( resid 18 and name H5'' ) ( resid 18 and name H8   ) 2.90 2.9 0.6
assign ( resid 18 and name H1'  ) ( resid 19 and name H8   ) 3.40 3.4 1.6
assign ( resid 18 and name H2'' ) ( resid 19 and name H8   ) 2.90 2.9 0.6
assign ( resid 18 and name H3'  ) ( resid 19 and name H8   ) 3.40 3.4 1.6
assign ( resid 18 and name H2   ) ( resid 19 and name H1'  ) 3.90 3.9 1.1
assign ( resid 18 and name H2   ) ( resid 19 and name H8   ) 3.90 3.9 1.1
assign ( resid 18 and name H8   ) ( resid 19 and name H8   ) 4.40 4.4 1.6
assign ( resid 18 and name H1'  ) ( resid 18 and name H5'' ) 3.90 3.9 2.1
assign ( resid 18 and name H2'' ) ( resid 19 and name H1'  ) 3.90 3.9 1.1
assign ( resid 19 and name H1'  ) ( resid 19 and name H8   ) 3.40 3.4 1.6
assign ( resid 19 and name H2'' ) ( resid 19 and name H8   ) 2.90 2.9 1.1
assign ( resid 19 and name H3'  ) ( resid 19 and name H8   ) 2.90 2.9 1.1
assign ( resid 19 and name H5'' ) ( resid 19 and name H8   ) 2.90 2.9 1.1
assign ( resid 19 and name H1'  ) ( resid 20 and name H8   ) 3.40 3.4 1.6
assign ( resid 19 and name H2'' ) ( resid 20 and name H8   ) 2.90 2.9 1.1
assign ( resid 19 and name H3'  ) ( resid 20 and name H8   ) 3.40 3.4 1.6
assign ( resid 19 and name H8   ) ( resid 20 and name H8   ) 3.40 3.4 1.6
assign ( resid 19 and name H1'  ) ( resid 20 and name H5'' ) 3.90 3.9 2.1
assign ( resid 19 and name H2'' ) ( resid 20 and name H1'  ) 3.90 3.9 2.1
assign ( resid 19 and name H1'  ) ( resid 19 and name H1   ) 3.90 3.9 2.1
assign ( resid 20 and name H1'  ) ( resid 20 and name H8   ) 3.40 3.4 1.6
assign ( resid 20 and name H2'' ) ( resid 20 and name H8   ) 2.90 2.9 1.1
assign ( resid 20 and name H3'  ) ( resid 20 and name H8   ) 2.90 2.9 1.1
assign ( resid 20 and name H5'' ) ( resid 20 and name H8   ) 2.90 2.9 1.1
assign ( resid 20 and name H1'  ) ( resid 21 and name H8   ) 3.40 3.4 1.6
assign ( resid 20 and name H2'' ) ( resid 21 and name H8   ) 2.90 2.9 1.1
assign ( resid 20 and name H3'  ) ( resid 21 and name H8   ) 3.40 3.4 1.6
assign ( resid 20 and name H1'  ) ( resid 21 and name H5'' ) 3.90 3.9 2.1
assign ( resid 20 and name H2'' ) ( resid 21 and name H1'  ) 3.90 3.9 2.1
assign ( resid 21 and name H1'  ) ( resid 21 and name H8   ) 3.90 3.9 2.1
assign ( resid 21 and name H2'' ) ( resid 21 and name H8   ) 2.90 2.9 1.1
assign ( resid 21 and name H3'  ) ( resid 21 and name H8   ) 3.40 3.4 1.6
assign ( resid 21 and name H4'  ) ( resid 21 and name H8   ) 3.40 3.4 1.6
assign ( resid 21 and name H5'' ) ( resid 21 and name H8   ) 3.40 3.4 1.6
assign ( resid 21 and name H1'  ) ( resid 22 and name H6   ) 3.40 3.4 1.6
assign ( resid 21 and name H2'' ) ( resid 22 and name H6   ) 2.90 2.9 1.6
assign ( resid 21 and name H3'  ) ( resid 22 and name H6   ) 2.90 2.9 1.6
assign ( resid 21 and name H2'' ) ( resid 22 and name H5   ) 3.40 3.4 1.6
assign ( resid 21 and name H3'  ) ( resid 22 and name H5   ) 3.40 3.4 1.6
assign ( resid 21 and name H8   ) ( resid 22 and name H5   ) 3.90 3.9 2.1
assign ( resid 21 and name H8   ) ( resid 22 and name H6   ) 3.40 3.4 1.6
assign ( resid 21 and name H2'' ) ( resid 22 and name H1'  ) 3.40 3.4 1.6
assign ( resid 21 and name H1   ) ( resid 10 and name H2'' ) 3.90 3.9 2.1
assign ( resid 21 and name H1   ) ( resid 10 and name H5   ) 3.90 3.9 2.1
assign ( resid 21 and name H1   ) ( resid 11 and name H1'  ) 3.90 3.9 2.1
assign ( resid 21 and name H1   ) ( resid 11 and name H5   ) 3.90 3.9 2.1
assign ( resid 21 and name H1   ) ( resid 11 and name H6   ) 3.90 3.9 2.1
assign ( resid 21 and name H1   ) ( resid 22 and name H2'' ) 4.40 4.4 2.6
assign ( resid 21 and name H1   ) ( resid 22 and name H5   ) 4.40 4.4 2.6
assign ( resid 22 and name H1'  ) ( resid 22 and name H5   ) 3.90 3.9 2.1
assign ( resid 22 and name H1'  ) ( resid 22 and name H6   ) 3.40 3.4 1.6
assign ( resid 22 and name H2'' ) ( resid 22 and name H6   ) 2.90 2.9 1.1
assign ( resid 22 and name H3'  ) ( resid 22 and name H6   ) 3.90 3.9 2.1
assign ( resid 22 and name H1'  ) ( resid 23 and name H6   ) 3.90 3.9 2.1
assign ( resid 22 and name H2'' ) ( resid 23 and name H6   ) 2.90 2.9 1.1
assign ( resid 22 and name H3'  ) ( resid 23 and name H6   ) 2.90 2.9 1.1
assign ( resid 22 and name H5'  ) ( resid 23 and name H6   ) 3.40 3.4 1.6
assign ( resid 22 and name H5'' ) ( resid 23 and name H6   ) 3.40 3.4 1.6
assign ( resid 22 and name H2'' ) ( resid 23 and name H1'  ) 3.90 3.9 2.1
assign ( resid 22 and name H41  ) ( resid 23 and name H41  ) 3.90 3.9 2.1
assign ( resid 22 and name H41  ) ( resid 23 and name H42  ) 3.40 3.4 1.6
assign ( resid 23 and name H1'  ) ( resid 23 and name H6   ) 3.40 3.4 1.6
assign ( resid 23 and name H2'' ) ( resid 23 and name H6   ) 2.40 2.4 0.6
assign ( resid 23 and name H3'  ) ( resid 23 and name H6   ) 2.90 2.9 1.1
assign ( resid 23 and name H1'  ) ( resid 24 and name H8   ) 3.40 3.4 1.6
assign ( resid 23 and name H1'  ) ( resid 24 and name H8   ) 3.40 3.4 1.6
assign ( resid 23 and name H6   ) ( resid 24 and name H8   ) 3.40 3.4 1.6
assign ( resid 24 and name H1'  ) ( resid 24 and name H8   ) 3.40 3.4 1.6
assign ( resid 24 and name H2'' ) ( resid 24 and name H8   ) 3.40 3.4 1.6
assign ( resid 24 and name H3'  ) ( resid 24 and name H8   ) 3.90 3.9 2.1
assign ( resid 24 and name H1'  ) ( resid 25 and name H6   ) 3.90 3.9 2.1
assign ( resid 24 and name H8   ) ( resid 25 and name H6   ) 3.40 3.4 1.6
assign ( resid 25 and name H1'  ) ( resid 25 and name H6   ) 3.90 3.9 2.1
assign ( resid 25 and name H2'' ) ( resid 25 and name H6   ) 3.40 3.4 1.6
assign ( resid 25 and name H3'  ) ( resid 25 and name H6   ) 3.90 3.9 2.1
assign ( resid 25 and name H6   ) ( resid 26 and name H6   ) 3.40 3.4 1.6
assign ( resid 27 and name H1'  ) ( resid 27 and name H6   ) 3.90 3.9 2.1
assign ( resid 27 and name H2'' ) ( resid 27 and name H6   ) 3.40 3.4 1.6
assign ( resid 27 and name H3'  ) ( resid 27 and name H6   ) 3.90 3.9 2.1
assign ( resid 27 and name H1'  ) ( resid 28 and name H8   ) 3.90 3.9 2.1
assign ( resid 27 and name H6   ) ( resid 28 and name H8   ) 3.40 3.4 1.6
assign ( resid 28 and name H1'  ) ( resid 28 and name H8   ) 3.40 3.4 1.6
assign ( resid 28 and name H2'' ) ( resid 28 and name H8   ) 3.40 3.4 1.6
assign ( resid 28 and name H3'  ) ( resid 28 and name H8   ) 3.90 3.9 2.1

assign (segid HIST and resid 8   and name C5 ) 
       (segid HIST and resid 8   and name C6 ) 
       (segid HIST and resid 8   and name N1 )
       (segid HIST and resid 23  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 8   and name C5 ) 
       (segid HIST and resid 8   and name C6 ) 
       (segid HIST and resid 8   and name O6 )
       (segid HIST and resid 23  and name N4 ) 30.0 180 20.0 2
assign (segid HIST and resid 9   and name C5 ) 
       (segid HIST and resid 9   and name C6 ) 
       (segid HIST and resid 9   and name N1 )
       (segid HIST and resid 22  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 9   and name C5 ) 
       (segid HIST and resid 9   and name C6 ) 
       (segid HIST and resid 9   and name O6 )
       (segid HIST and resid 22  and name N4 ) 30.0 180 20.0 2
assign (segid HIST and resid 21  and name C5 ) 
       (segid HIST and resid 21  and name C6 ) 
       (segid HIST and resid 21  and name N1 )
       (segid HIST and resid 10  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 21  and name C5 ) 
       (segid HIST and resid 21  and name C6 ) 
       (segid HIST and resid 21  and name O6 )
       (segid HIST and resid 10  and name N4 ) 30.0 180 20.0 2
assign (segid HIST and resid 20  and name C5 ) 
       (segid HIST and resid 20  and name C6 ) 
       (segid HIST and resid 20  and name N1 )
       (segid HIST and resid 11  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 20  and name C5 ) 
       (segid HIST and resid 20  and name C6 ) 
       (segid HIST and resid 20  and name O6 )
       (segid HIST and resid 11  and name N4 ) 30.0 180 20.0 2
assign (segid HIST and resid 19  and name C5 ) 
       (segid HIST and resid 19  and name C6 ) 
       (segid HIST and resid 19  and name N1 )
       (segid HIST and resid 12  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 19  and name C5 ) 
       (segid HIST and resid 19  and name C6 ) 
       (segid HIST and resid 19  and name O6 )
       (segid HIST and resid 12  and name N4 ) 30.0 180 20.0 2
assign (segid HIST and resid 18  and name C5 ) 
       (segid HIST and resid 18  and name C6 ) 
       (segid HIST and resid 18  and name N1 )
       (segid HIST and resid 13  and name N3 ) 30.0 180 20.0 2
assign (segid HIST and resid 18  and name C5 ) 
       (segid HIST and resid 18  and name C6 ) 
       (segid HIST and resid 18  and name N6 )
       (segid HIST and resid 13  and name O4 ) 30.0 180 20.0 2
assign (segid HIST and resid 9   and name P  )  
       (segid HIST and resid 9   and name O5')  
       (segid HIST and resid 9   and name C5')
       (segid HIST and resid 9   and name C4') 1.0  180.0  40.0  2
assign (segid HIST and resid 10  and name P  ) 
       (segid HIST and resid 10  and name O5')
       (segid HIST and resid 10  and name C5')
       (segid HIST and resid 10  and name C4') 1.0  180.0  40.0  2
assign (segid HIST and resid 11  and name P  ) 
       (segid HIST and resid 11  and name O5')
       (segid HIST and resid 11  and name C5')
       (segid HIST and resid 11  and name C4') 1.0  180.0  40.0  2
assign (segid HIST and resid 12  and name P  ) 
       (segid HIST and resid 12  and name O5')
       (segid HIST and resid 12  and name C5')
       (segid HIST and resid 12  and name C4') 1.0  180.0  40.0  2
assign (segid HIST and resid 13  and name P  )
       (segid HIST and resid 13  and name O5')
       (segid HIST and resid 13  and name C5')
       (segid HIST and resid 13  and name C4') 1.0  180.0  40.0  2
assign (segid HIST and resid 15  and name P  )
       (segid HIST and resid 15  and name O5')
       (segid HIST and resid 15  and name C5')
       (segid HIST and resid 15  and name C4') 1.0  0.0  130.0  2
assign (segid HIST and resid 16  and name P  )
       (segid HIST and resid 16  and name O5')
       (segid HIST and resid 16  and name C5')
       (segid HIST and resid 16  and name C4') 1.0  0.0  130.0  2
assign (segid HIST and resid 17  and name P  )
       (segid HIST and resid 17  and name O5')
       (segid HIST and resid 17  and name C5')
       (segid HIST and resid 17  and name C4') 1.0  0.0  130.0  2
assign (segid HIST and resid 18  and name P  ) 
       (segid HIST and resid 18  and name O5')
       (segid HIST and resid 18  and name C5')
       (segid HIST and resid 18  and name C4') 1.0 180.0  40.0  2
assign (segid HIST and resid 19  and name P  ) 
       (segid HIST and resid 19  and name O5')
       (segid HIST and resid 19  and name C5')
       (segid HIST and resid 19  and name C4') 1.0 180.0  40.0  2
assign (segid HIST and resid 20  and name P  ) 
       (segid HIST and resid 20  and name O5')
       (segid HIST and resid 20  and name C5')
       (segid HIST and resid 20  and name C4') 1.0 180.0  40.0  2
assign (segid HIST and resid 21  and name P  ) 
       (segid HIST and resid 21  and name O5')
       (segid HIST and resid 21  and name C5')
       (segid HIST and resid 21  and name C4') 1.0 180.0  40.0  2
assign (segid HIST and resid 22  and name P  ) 
       (segid HIST and resid 22  and name O5')
       (segid HIST and resid 22  and name C5')
       (segid HIST and resid 22  and name C4') 1.0 180.0  40.0  2
assign (segid HIST and resid 8   and name C4') 
       (segid HIST and resid 8   and name C3') 
       (segid HIST and resid 8   and name O3') 
       (segid HIST and resid 9   and name P)  1.0  232.5 97.5 2 
assign (segid HIST and resid 11  and name C4') 
       (segid HIST and resid 11  and name C3') 
       (segid HIST and resid 11  and name O3') 
       (segid HIST and resid 12  and name P)  1.0  237.5 107.5 2
assign (segid HIST and resid 13  and name C4') 
       (segid HIST and resid 13  and name C3') 
       (segid HIST and resid 13  and name O3') 
       (segid HIST and resid 14  and name P)  1.0  237.5 102.5 2
assign (segid HIST and resid 15  and name C4')
       (segid HIST and resid 15  and name C3')
       (segid HIST and resid 15  and name O3')
       (segid HIST and resid 16  and name P)  1.0  235.0 115.0 2
assign (segid HIST and resid 16  and name C4') 
       (segid HIST and resid 16  and name C3') 
       (segid HIST and resid 16  and name O3') 
       (segid HIST and resid 17  and name P)  1.0  237.5 107.5 2
assign (segid HIST and resid 17  and name C4') 
       (segid HIST and resid 17  and name C3') 
       (segid HIST and resid 17  and name O3') 
       (segid HIST and resid 18  and name P)  1.0  235.0 115.0 2
assign (segid HIST and resid 18  and name C4')
       (segid HIST and resid 18  and name C3')
       (segid HIST and resid 18  and name O3')
       (segid HIST and resid 19  and name P)  1.0  232.5 87.5 2
assign (segid HIST and resid 21  and name C4')
       (segid HIST and resid 21  and name C3')
       (segid HIST and resid 21  and name O3')
       (segid HIST and resid 22  and name P)  1.0  232.5 87.5 2
assign (segid HIST and resid 8   and name C2') 
       (segid HIST and resid 8   and name C1') 
       (segid HIST and resid 8   and name O4') 
       (segid HIST and resid 8   and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 8   and name O4') 
       (segid HIST and resid 8   and name C4') 
       (segid HIST and resid 8   and name C3') 
       (segid HIST and resid 8   and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 9   and name C2') 
       (segid HIST and resid 9   and name C1') 
       (segid HIST and resid 9   and name O4') 
       (segid HIST and resid 9   and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 9   and name O4') 
       (segid HIST and resid 9   and name C4') 
       (segid HIST and resid 9   and name C3') 
       (segid HIST and resid 9   and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 10  and name C2') 
       (segid HIST and resid 10  and name C1') 
       (segid HIST and resid 10  and name O4') 
       (segid HIST and resid 10  and name C4')  1.0  3.4  1.0 2
assign (segid HIST and resid 10  and name O4') 
       (segid HIST and resid 10  and name C4') 
       (segid HIST and resid 10  and name C3') 
       (segid HIST and resid 10  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 11  and name C2') 
       (segid HIST and resid 11  and name C1') 
       (segid HIST and resid 11  and name O4') 
       (segid HIST and resid 11  and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 11  and name O4') 
       (segid HIST and resid 11  and name C4') 
       (segid HIST and resid 11  and name C3') 
       (segid HIST and resid 11  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 12  and name C2') 
       (segid HIST and resid 12  and name C1') 
       (segid HIST and resid 12  and name O4') 
       (segid HIST and resid 12  and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 12  and name O4') 
       (segid HIST and resid 12  and name C4') 
       (segid HIST and resid 12  and name C3') 
       (segid HIST and resid 12  and name C2')  1.0  324 2.5 2 
assign (segid HIST and resid 13  and name C2') 
       (segid HIST and resid 13  and name C1') 
       (segid HIST and resid 13  and name O4') 
       (segid HIST and resid 13  and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 13  and name O4') 
       (segid HIST and resid 13  and name C4') 
       (segid HIST and resid 13  and name C3') 
       (segid HIST and resid 13  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 18  and name C2') 
       (segid HIST and resid 18  and name C1') 
       (segid HIST and resid 18  and name O4') 
       (segid HIST and resid 18  and name C4')  1.0  3.4  1.0 2 
assign (segid HIST and resid 18  and name O4') 
       (segid HIST and resid 18  and name C4') 
       (segid HIST and resid 18  and name C3') 
       (segid HIST and resid 18  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 19  and name C2') 
       (segid HIST and resid 19  and name C1') 
       (segid HIST and resid 19  and name O4') 
       (segid HIST and resid 19  and name C4')  1.0  3.4  1.0 2
assign (segid HIST and resid 19  and name O4') 
       (segid HIST and resid 19  and name C4') 
       (segid HIST and resid 19  and name C3') 
       (segid HIST and resid 19  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 20  and name C2') 
       (segid HIST and resid 20  and name C1') 
       (segid HIST and resid 20  and name O4') 
       (segid HIST and resid 20  and name C4')  1.0  3.4  1.0 2
assign (segid HIST and resid 20  and name O4') 
       (segid HIST and resid 20  and name C4') 
       (segid HIST and resid 20  and name C3') 
       (segid HIST and resid 20  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 21  and name C2') 
       (segid HIST and resid 21  and name C1') 
       (segid HIST and resid 21  and name O4') 
       (segid HIST and resid 21  and name C4')  30.0  3.4  1.0 2
assign (segid HIST and resid 21  and name O4') 
       (segid HIST and resid 21  and name C4') 
       (segid HIST and resid 21  and name C3') 
       (segid HIST and resid 21  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 22  and name C2') 
       (segid HIST and resid 22  and name C1') 
       (segid HIST and resid 22  and name O4') 
       (segid HIST and resid 22  and name C4')  30.0  3.4  1.0 2
assign (segid HIST and resid 22  and name O4') 
       (segid HIST and resid 22  and name C4') 
       (segid HIST and resid 22  and name C3') 
       (segid HIST and resid 22  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 23  and name C2') 
       (segid HIST and resid 23  and name C1') 
       (segid HIST and resid 23  and name O4') 
       (segid HIST and resid 23  and name C4')  30.0  3.4  1.0 2
assign (segid HIST and resid 23  and name O4') 
       (segid HIST and resid 23  and name C4') 
       (segid HIST and resid 23  and name C3') 
       (segid HIST and resid 23  and name C2')  1.0  324 2.5 2
assign (segid HIST and resid 9  and name O5') 
       (segid HIST and resid 9  and name C5') 
       (segid HIST and resid 9  and name C4') 
       (segid HIST and resid 9  and name C3')  1.0  60.0 40.0 2 
assign (segid HIST and resid 10  and name O5')
       (segid HIST and resid 10  and name C5')
       (segid HIST and resid 10  and name C4')
       (segid HIST and resid 10  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 11  and name O5') 
       (segid HIST and resid 11  and name C5') 
       (segid HIST and resid 11  and name C4') 
       (segid HIST and resid 11  and name C3')  1.0  60.0 40.0 2 
assign (segid HIST and resid 12  and name O5')
       (segid HIST and resid 12  and name C5')
       (segid HIST and resid 12  and name C4')
       (segid HIST and resid 12  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 13  and name O5')
       (segid HIST and resid 13  and name C5')
       (segid HIST and resid 13  and name C4')
       (segid HIST and resid 13  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 19  and name O5')
       (segid HIST and resid 19  and name C5')
       (segid HIST and resid 19  and name C4')
       (segid HIST and resid 19  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 20  and name O5')
       (segid HIST and resid 20  and name C5')
       (segid HIST and resid 20  and name C4')
       (segid HIST and resid 20  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 21  and name O5') 
       (segid HIST and resid 21  and name C5') 
       (segid HIST and resid 21  and name C4') 
       (segid HIST and resid 21  and name C3')  1.0  60.0 40.0 2 
assign (segid HIST and resid 22  and name O5')
       (segid HIST and resid 22  and name C5')
       (segid HIST and resid 22  and name C4')
       (segid HIST and resid 22  and name C3')  1.0  60.0 40.0 2
assign (segid HIST and resid 23  and name O5')
       (segid HIST and resid 23  and name C5')
       (segid HIST and resid 23  and name C4')
       (segid HIST and resid 23  and name C3')  1.0  60.0 40.0 2


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    G   1          1H5*        G   1  -3.853 -12.224  14.367
    2   2H5*    G   1          2H5*        G   1  -4.777 -11.095  13.337
    3    H4*    G   1           H4*        G   1  -5.117 -14.136  13.297
    4    H3*    G   1           H3*        G   1  -3.009 -12.424  12.033
    5    H2*    G   1           H2*        G   1  -3.489 -12.945   9.868
    6   2HO*    G   1          2HO*        G   1  -4.277 -15.519  10.822
    7    H1*    G   1           H1*        G   1  -6.093 -14.145  10.184
    8    H8     G   1           H8         G   1  -5.490 -10.388  10.734
    9    H1     G   1           H1         G   1  -7.183 -11.873   4.762
   10   1H2     G   1          1H2         G   1  -6.837 -15.185   5.816
   11   2H2     G   1          2H2         G   1  -7.226 -14.086   4.512
   12    H5T    G   1           H5T        G   1  -5.838 -11.284  15.267
   13   1H5*    G   2          1H5*        G   2   1.130 -13.650  11.098
   14   2H5*    G   2          2H5*        G   2  -0.148 -12.462  10.713
   15    H4*    G   2           H4*        G   2   0.711 -14.779   8.901
   16    H3*    G   2           H3*        G   2   1.848 -12.018   9.250
   17    H2*    G   2           H2*        G   2   1.613 -11.387   7.066
   18   2HO*    G   2          2HO*        G   2   1.864 -14.147   6.369
   19    H1*    G   2           H1*        G   2  -0.336 -13.304   6.189
   20    H8     G   2           H8         G   2  -1.273 -10.706   8.842
   21    H1     G   2           H1         G   2  -2.245  -8.689   2.865
   22   1H2     G   2          1H2         G   2  -0.573 -11.610   1.932
   23   2H2     G   2          2H2         G   2  -1.385 -10.148   1.419
   24   1H5*    C   3          1H5*        C   3   6.003 -10.878   7.792
   25   2H5*    C   3          2H5*        C   3   4.260 -10.520   7.801
   26    H4*    C   3           H4*        C   3   5.563 -11.543   5.269
   27    H3*    C   3           H3*        C   3   5.843  -8.793   6.483
   28    H2*    C   3           H2*        C   3   5.113  -7.698   4.609
   29   2HO*    C   3          2HO*        C   3   6.076  -9.916   3.086
   30    H1*    C   3           H1*        C   3   3.735  -9.876   3.317
   31   1H4     C   3          1H4         C   3  -0.612  -5.522   5.826
   32   2H4     C   3          2H4         C   3  -0.636  -5.302   4.091
   33    H5     C   3           H5         C   3   0.907  -7.030   6.944
   34    H6     C   3           H6         C   3   2.722  -8.648   6.636
   35   1H5*    C   4          1H5*        C   4   9.220  -5.910   4.584
   36   2H5*    C   4          2H5*        C   4   7.580  -6.167   5.219
   37    H4*    C   4           H4*        C   4   7.984  -6.415   2.251
   38    H3*    C   4           H3*        C   4   8.409  -3.904   3.814
   39    H2*    C   4           H2*        C   4   6.599  -2.787   3.029
   40   2HO*    C   4          2HO*        C   4   6.256  -2.606   0.818
   41    H1*    C   4           H1*        C   4   5.405  -4.963   1.442
   42   1H4     C   4          1H4         C   4   1.044  -2.706   5.912
   43   2H4     C   4          2H4         C   4   0.511  -2.087   4.365
   44    H5     C   4           H5         C   4   3.102  -3.935   6.205
   45    H6     C   4           H6         C   4   5.084  -4.835   5.078
   46   1H5*    C   5          1H5*        C   5  10.906  -0.340   1.819
   47   2H5*    C   5          2H5*        C   5   9.441  -0.916   2.645
   48    H4*    C   5           H4*        C   5   9.391  -0.146  -0.294
   49    H3*    C   5           H3*        C   5   9.340   1.647   2.141
   50    H2*    C   5           H2*        C   5   7.431   2.743   1.497
   51   2HO*    C   5          2HO*        C   5   6.941   3.168  -0.645
   52    H1*    C   5           H1*        C   5   6.348   0.766  -0.283
   53   1H4     C   5          1H4         C   5   3.047   0.815   5.489
   54   2H4     C   5          2H4         C   5   1.967   1.484   4.288
   55    H5     C   5           H5         C   5   5.331   0.195   5.011
   56    H6     C   5           H6         C   5   7.064   0.084   3.282
   57   1H5*    U   6          1H5*        U   6  10.279   6.302   1.619
   58   2H5*    U   6          2H5*        U   6   9.309   5.056   2.438
   59    H4*    U   6           H4*        U   6   8.261   6.662   0.070
   60    H3*    U   6           H3*        U   6   8.190   7.264   3.053
   61    H2*    U   6           H2*        U   6   5.988   7.988   2.892
   62   2HO*    U   6          2HO*        U   6   6.186   9.445   1.210
   63    H1*    U   6           H1*        U   6   5.169   6.275   0.799
   64    H3     U   6           H3         U   6   2.475   5.925   4.572
   65    H5     U   6           H5         U   6   5.688   3.261   5.153
   66    H6     U   6           H6         U   6   6.771   4.240   3.215
   67   1H5*    U   7          1H5*        U   7   7.075  10.921   2.559
   68   2H5*    U   7          2H5*        U   7   7.773  11.909   3.858
   69    H4*    U   7           H4*        U   7   5.266  11.020   4.019
   70    H3*    U   7           H3*        U   7   7.376  11.280   6.154
   71    H2*    U   7           H2*        U   7   6.255  10.016   7.708
   72   2HO*    U   7          2HO*        U   7   3.970   9.926   7.773
   73    H1*    U   7           H1*        U   7   4.565   8.493   5.981
   74    H3     U   7           H3         U   7   6.325   5.222   8.554
   75    H5     U   7           H5         U   7   9.691   6.818   6.584
   76    H6     U   7           H6         U   7   8.252   8.531   5.643
   77   1H5*    U   8          1H5*        U   8   4.020  13.614   8.396
   78   2H5*    U   8          2H5*        U   8   4.977  14.169   9.785
   79    H4*    U   8           H4*        U   8   3.561  11.593   9.357
   80    H3*    U   8           H3*        U   8   3.843  13.568  11.418
   81    H2*    U   8           H2*        U   8   5.478  12.635  12.713
   82   2HO*    U   8          2HO*        U   8   3.716  11.861  13.894
   83    H1*    U   8           H1*        U   8   5.313   9.852  11.672
   84    H3     U   8           H3         U   8   9.232   9.870  14.048
   85    H5     U   8           H5         U   8   9.968  12.346  10.718
   86    H6     U   8           H6         U   8   7.606  12.212  10.174
   87   1H5*    U   9          1H5*        U   9   0.233  11.245   9.884
   88   2H5*    U   9          2H5*        U   9  -1.185  12.256  10.234
   89    H4*    U   9           H4*        U   9  -2.356  10.313  10.270
   90    H3*    U   9           H3*        U   9  -1.215  10.659  12.898
   91    H2*    U   9           H2*        U   9  -0.076   8.682  13.085
   92   2HO*    U   9          2HO*        U   9  -1.748   7.908  14.253
   93    H1*    U   9           H1*        U   9  -1.580   7.254  10.913
   94    H3     U   9           H3         U   9   1.712   4.212  11.814
   95    H5     U   9           H5         U   9   3.764   7.588  10.346
   96    H6     U   9           H6         U   9   1.668   8.813  10.405
   97   1H5*    C  10          1H5*        C  10  -6.634  10.835  12.504
   98   2H5*    C  10          2H5*        C  10  -7.122   9.782  13.849
   99    H4*    C  10           H4*        C  10  -5.593   9.060  11.330
  100    H3*    C  10           H3*        C  10  -8.261   8.584  12.338
  101    H2*    C  10           H2*        C  10  -7.910   6.585  13.397
  102   2HO*    C  10          2HO*        C  10  -7.779   4.818  11.991
  103    H1*    C  10           H1*        C  10  -5.341   5.934  11.986
  104   1H4     C  10          1H4         C  10  -4.917   3.905  18.288
  105   2H4     C  10          2H4         C  10  -5.199   2.452  17.354
  106    H5     C  10           H5         C  10  -4.967   6.122  17.331
  107    H6     C  10           H6         C  10  -5.293   7.415  15.273
  108   1H5*    A  11          1H5*        A  11  -7.825   9.208   6.728
  109   2H5*    A  11          2H5*        A  11  -6.811   8.146   7.732
  110    H4*    A  11           H4*        A  11  -5.937  10.995   7.215
  111    H3*    A  11           H3*        A  11  -5.936   8.705   5.255
  112    H2*    A  11           H2*        A  11  -3.695   8.858   4.778
  113   2HO*    A  11          2HO*        A  11  -3.803  11.589   5.610
  114    H1*    A  11           H1*        A  11  -2.767  10.117   7.156
  115    H8     A  11           H8         A  11  -4.310   6.866   8.071
  116   1H6     A  11          1H6         A  11   0.838   4.010   6.246
  117   2H6     A  11          2H6         A  11  -0.678   3.828   7.102
  118    H2     A  11           H2         A  11   1.033   8.266   4.818
  119   1H5*    G  12          1H5*        G  12  -6.398   8.857   0.946
  120   2H5*    G  12          2H5*        G  12  -5.652   7.917   2.269
  121    H4*    G  12           H4*        G  12  -4.142   9.569   0.172
  122    H3*    G  12           H3*        G  12  -5.108   6.715   0.165
  123    H2*    G  12           H2*        G  12  -3.062   5.800  -0.310
  124   2HO*    G  12          2HO*        G  12  -1.566   6.801  -1.632
  125    H1*    G  12           H1*        G  12  -1.349   7.896   0.597
  126    H8     G  12           H8         G  12  -3.517   6.389   3.301
  127    H1     G  12           H1         G  12   1.675   2.876   2.104
  128   1H2     G  12          1H2         G  12   2.069   4.962  -0.669
  129   2H2     G  12          2H2         G  12   2.682   3.611   0.258
  130   1H5*    G  13          1H5*        G  13  -5.419   4.209  -3.648
  131   2H5*    G  13          2H5*        G  13  -4.972   4.293  -1.920
  132    H4*    G  13           H4*        G  13  -2.849   4.352  -4.092
  133    H3*    G  13           H3*        G  13  -4.583   2.016  -3.354
  134    H2*    G  13           H2*        G  13  -2.889   0.658  -2.664
  135   2HO*    G  13          2HO*        G  13  -1.238   0.282  -3.953
  136    H1*    G  13           H1*        G  13  -0.768   2.605  -2.389
  137    H8     G  13           H8         G  13  -3.729   2.590   0.038
  138    H1     G  13           H1         G  13   1.101  -1.145   1.906
  139   1H2     G  13          1H2         G  13   2.428  -0.482  -1.256
  140   2H2     G  13          2H2         G  13   2.615  -1.299   0.280
  141   1H5*    G  14          1H5*        G  14  -4.842  -1.695  -6.039
  142   2H5*    G  14          2H5*        G  14  -4.490  -1.170  -4.368
  143    H4*    G  14           H4*        G  14  -2.440  -2.458  -6.244
  144    H3*    G  14           H3*        G  14  -4.548  -3.719  -4.493
  145    H2*    G  14           H2*        G  14  -3.085  -5.094  -3.386
  146   2HO*    G  14          2HO*        G  14  -2.298  -6.245  -5.088
  147    H1*    G  14           H1*        G  14  -0.656  -3.649  -3.798
  148    H8     G  14           H8         G  14  -3.591  -2.071  -1.878
  149    H1     G  14           H1         G  14   0.504  -5.253   1.845
  150   1H2     G  14          1H2         G  14   1.962  -6.276  -1.158
  151   2H2     G  14          2H2         G  14   1.988  -6.341   0.590
  152   1H5*    C  15          1H5*        C  15  -7.142  -7.191  -5.587
  153   2H5*    C  15          2H5*        C  15  -6.196  -6.095  -4.557
  154    H4*    C  15           H4*        C  15  -4.968  -8.721  -5.400
  155    H3*    C  15           H3*        C  15  -7.250  -8.355  -3.457
  156    H2*    C  15           H2*        C  15  -6.187  -9.409  -1.726
  157   2HO*    C  15          2HO*        C  15  -4.858 -11.188  -2.036
  158    H1*    C  15           H1*        C  15  -3.469  -9.208  -2.669
  159   1H4     C  15          1H4         C  15  -4.542  -5.077   2.433
  160   2H4     C  15          2H4         C  15  -3.473  -6.330   3.019
  161    H5     C  15           H5         C  15  -5.489  -5.081   0.212
  162    H6     C  15           H6         C  15  -5.611  -6.284  -1.920
  163   1H5*    C  16          1H5*        C  16  -7.097 -12.953  -4.243
  164   2H5*    C  16          2H5*        C  16  -8.737 -13.308  -4.831
  165    H4*    C  16           H4*        C  16  -8.011 -14.957  -3.123
  166    H3*    C  16           H3*        C  16 -10.310 -13.090  -2.587
  167    H2*    C  16           H2*        C  16 -10.485 -13.599  -0.365
  168   2HO*    C  16          2HO*        C  16 -10.004 -15.659   0.450
  169    H1*    C  16           H1*        C  16  -7.851 -14.607   0.115
  170   1H4     C  16          1H4         C  16  -8.469  -8.424   2.482
  171   2H4     C  16          2H4         C  16  -8.433  -9.489   3.870
  172    H5     C  16           H5         C  16  -8.454  -9.224   0.203
  173    H6     C  16           H6         C  16  -8.410 -11.214  -1.229