*HEADER    DNA                                     02-SEP-05   2AWV              
*TITLE     NMR STRUCTURAL ANALYSIS OF THE DIMER OF 5MCCTCATCC                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*(MCY)P*CP*TP*CP*AP*CP*TP*CP*C)-3';                   
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALY SYNTHETIZED USING THE                       
*SOURCE   4 PHOSPHORAMIDITE METHOD                                               
*KEYWDS    I-MOTIF, HEMIPROTONATED CC+ PAIRS, DIMER                              
*EXPDTA    NMR                                                                   
*AUTHOR    M.CANALIA, J.-L.LEROY                                                 
*REVDAT   1   20-SEP-05 2AWV    0                                                


! DIHEDRAL RESTRAINTS ON SUGAR PUCKER
!5mC1
assign (residue 1 and name C4' and segid A) (residue 1 and name O4' and segid A) 
(residue 1 and name C1' and segid A) (residue 1 and name C2' and segid A) 1 -39 1 2
assign (residue 1 and name O4' and segid A) (residue 1 and name C1' and segid A)
(residue 1 and name C2' and segid A) (residue 1 and name C3' and segid A) 1 36 3 2 
assign (residue 1 and name C4' and segid B) (residue 1 and name O4' and segid B) 
(residue 1 and name C1' and segid B) (residue 1 and name C2' and segid B) 1 -39 1 2 
assign (residue 1 and name O4' and segid B) (residue 1 and name C1' and segid B)
(residue 1 and name C2' and segid B) (residue 1 and name C3' and segid B) 1 36 3 2 
!C2
assign (residue 2 and name C4' and segid A) (residue 2 and name O4' and segid A) 
(residue 2 and name C1' and segid A) (residue 2 and name C2' and segid A) 1 -38 4 2 
assign (residue 2 and name O4' and segid A) (residue 2 and name C1' and segid A)
(residue 2 and name C2' and segid A) (residue 2 and name C3' and segid A) 1 25 11 2 
assign (residue 2 and name C4' and segid B) (residue 2 and name O4' and segid B) 
(residue 2 and name C1' and segid B) (residue 2 and name C2' and segid B) 1 -38 4 2 
assign (residue 2 and name O4' and segid B) (residue 2 and name C1' and segid B)
(residue 2 and name C2' and segid B) (residue 2 and name C3' and segid B) 1 25 11 2 
!T3
assign (residue 3 and name C4' and segid A) (residue 3 and name O4' and segid A) 
(residue 3 and name C1' and segid A) (residue 3 and name C2' and segid A) 1 4 10 2 
assign (residue 3 and name O4' and segid A) (residue 3 and name C1' and segid A)
(residue 3 and name C2' and segid A) (residue 3 and name C3' and segid A) 1 20 8 2 
assign (residue 3 and name C4' and segid B) (residue 3 and name O4' and segid B) 
(residue 3 and name C1' and segid B) (residue 3 and name C2' and segid B) 1 4 10 2 
assign (residue 3 and name O4' and segid B) (residue 3 and name C1' and segid B)
(residue 3 and name C2' and segid B) (residue 3 and name C3' and segid B) 1 20 8 2 
!C4
assign (residue 4 and name C4' and segid A) (residue 4 and name O4' and segid A) 
(residue 4 and name C1' and segid A) (residue 4 and name C2' and segid A) 1 -39 1 2 
assign (residue 4 and name O4' and segid A) (residue 4 and name C1' and segid A)
(residue 4 and name C2' and segid A) (residue 4 and name C3' and segid A) 1 35 5 2 
assign (residue 4 and name C4' and segid B) (residue 4 and name O4' and segid B) 
(residue 4 and name C1' and segid B) (residue 4 and name C2' and segid B) 1 -39 1 2 
assign (residue 4 and name O4' and segid B) (residue 4 and name C1' and segid B)
(residue 4 and name C2' and segid B) (residue 4 and name C3' and segid B) 1 35 5 2 
!A5
assign (residue 5 and name C4' and segid A) (residue 5 and name O4' and segid A) 
(residue 5 and name C1' and segid A) (residue 5 and name C2' and segid A) 1 -39 2 2 
assign (residue 5 and name O4' and segid A) (residue 5 and name C1' and segid A)
(residue 5 and name C2' and segid A) (residue 5 and name C3' and segid A) 1 36 3 2 
assign (residue 5 and name C4' and segid B) (residue 5 and name O4' and segid B) 
(residue 5 and name C1' and segid B) (residue 5 and name C2' and segid B) 1 -39 2 2 
assign (residue 5 and name O4' and segid B) (residue 5 and name C1' and segid B)
(residue 5 and name C2' and segid B) (residue 5 and name C3' and segid B) 1 36 3 2 
!C6
assign (residue 6 and name C4' and segid A) (residue 6 and name O4' and segid A) 
(residue 6 and name C1' and segid A) (residue 6 and name C2' and segid A) 1 10 30 2 
assign (residue 6 and name O4' and segid A) (residue 6 and name C1' and segid A)
(residue 6 and name C2' and segid A) (residue 6 and name C3' and segid A) 1 -20 20 2 
assign (residue 6 and name C1' and segid A) (residue 6 and name C2' and segid A) 
(residue 6 and name C3' and segid A) (residue 6 and name C4' and segid A) 1 10 30 2 
 assign (residue 6 and name C4' and segid B) (residue 6 and name O4' and segid B) 
(residue 6 and name C1' and segid B) (residue 6 and name C2' and segid B) 1 10 30 2 
assign (residue 6 and name O4' and segid B) (residue 6 and name C1' and segid B)
(residue 6 and name C2' and segid B) (residue 6 and name C3' and segid B) 1 -20 20 2 
assign (residue 6 and name C1' and segid B) (residue 6 and name C2' and segid B) 
(residue 6 and name C3' and segid B) (residue 6 and name C4' and segid B) 1 10 30 2 
!T7
assign (residue 7 and name C4' and segid A) (residue 7 and name O4' and segid A) 
(residue 7 and name C1' and segid A) (residue 7 and name C2' and segid A) 1 10 30 2 
assign (residue 7 and name O4' and segid A) (residue 7 and name C1' and segid A)
(residue 7 and name C2' and segid A) (residue 7 and name C3' and segid A) 1 -20 20 2 
assign (residue 7 and name C1' and segid A) (residue 7 and name C2' and segid A) 
(residue 7 and name C3' and segid A) (residue 7 and name C4' and segid A) 1 10 30 2 
 assign (residue 7 and name C4' and segid B) (residue 7 and name O4' and segid B) 
(residue 7 and name C1' and segid B) (residue 7 and name C2' and segid B) 1 10 30 2 
assign (residue 7 and name O4' and segid B) (residue 7 and name C1' and segid B)
(residue 7 and name C2' and segid B) (residue 7 and name C3' and segid B) 1 -20 20 2
assign (residue 7 and name C1' and segid B) (residue 7 and name C2' and segid B) 
(residue 7 and name C3' and segid B) (residue 7 and name C4' and segid B) 1 10 30 2
!C8
assign (residue 8 and name C4' and segid A) (residue 8 and name O4' and segid A) 
(residue 8 and name C1' and segid A) (residue 8 and name C2' and segid A) 1 -24 6 2 
assign (residue 8 and name O4' and segid A) (residue 8 and name C1' and segid A)
(residue 8 and name C2' and segid A) (residue 8 and name C3' and segid A) 1 1 7 2
assign (residue 8 and name C4' and segid B) (residue 8 and name O4' and segid B) 
(residue 8 and name C1' and segid B) (residue 8 and name C2' and segid B) 1 -24 6 2 
assign (residue 8 and name O4' and segid B) (residue 8 and name C1' and segid B)
(residue 8 and name C2' and segid B) (residue 8 and name C3' and segid B) 1 1 7 2 

!C9
assign (residue 9 and name C4' and segid A) (residue 9 and name O4' and segid A) 
(residue 9 and name C1' and segid A) (residue 9 and name C2' and segid A) 1 -12 7 2 
assign (residue 9 and name O4' and segid A) (residue 9 and name C1' and segid A)
(residue 9 and name C2' and segid A) (residue 9 and name C3' and segid A) 1 -13 7 2 
assign (residue 9 and name C4' and segid B) (residue 9 and name O4' and segid B) 
(residue 9 and name C1' and segid B) (residue 9 and name C2' and segid B) 1 -12 7 2 
assign (residue 9 and name O4' and segid B) (residue 9 and name C1' and segid B)
(residue 9 and name C2' and segid B) (residue 9 and name C3' and segid B) 1 -13 7 2

! DIHEDRAL RESTRAINT ON EPSLON ANGLES
assign (residue 1 and name C4' and segid A) (residue 1 and name C3' and segid A) 
(residue 1 and name O3' and segid A) (residue 2 and name P and segid A) 1 -60 50 2
assign (residue 1 and name C4' and segid B) (residue 1 and name C3' and segid B) 
(residue 1 and name O3' and segid B) (residue 2 and name P and segid B) 1 -60 50 2
assign (residue 1 and name C4' and segid A) (residue 1 and name C3' and segid A) 
(residue 1 and name O3' and segid A) (residue 2 and name P and segid A) 1 -60 50 2 
assign (residue 1 and name C4' and segid B) (residue 1 and name C3' and segid B) 
(residue 1 and name O3' and segid B) (residue 2 and name P and segid B) 1 -60 50 2  

 (residue 2 and name O3' and segid A) (residue 3 and name P and segid A) 1 -60 50 2
assign (residue 2 and name C4' and segid B) (residue 2 and name C3' and segid B) 
(residue 2 and name O3' and segid B) (residue 3 and name P and segid B) 1 -60 50 2
assign (residue 2 and name C4' and segid A) (residue 2 and name C3' and segid A) 
(residue 2 and name O3' and segid A) (residue 3 and name P and segid A) 1 -60 50 2 
assign (residue 2 and name C4' and segid B) (residue 2 and name C3' and segid B) 
(residue 2 and name O3' and segid B) (residue 3 and name P and segid B) 1 -60 50 
 
assign (residue 3 and name C4' and segid A) (residue 3 and name C3' and segid A) 
 (residue 3 and name O3' and segid A) (residue 4 and name P and segid A) 1 230 130 2 
assign (residue 3 and name C4' and segid B) (residue 3 and name C3' and segid B) 
(residue 3 and name O3' and segid B) (residue 4 and name P and segid B) 1 230 130 2 
assign (residue 3 and name C4' and segid A) (residue 3 and name C3' and segid A) 
(residue 3 and name O3' and segid A) (residue 4 and name P and segid A) 1 10 120 2 
assign (residue 3 and name C4' and segid B) (residue 3 and name C3' and segid B) 
(residue 3 and name O3' and segid B) (residue 4 and name P and segid B) 1 10 120 2 

assign (residue 4 and name C4' and segid A) (residue 4 and name C3' and segid A) 
(residue 4 and name O3' and segid A) (residue 5 and name P and segid A) 1 230 130 2 
assign (residue 4 and name C4' and segid B) (residue 4 and name C3' and segid B) 
(residue 4 and name O3' and segid B) (residue 5 and name P and segid B) 1 230 130 2 
assign (residue 4 and name C4' and segid A) (residue 4 and name C3' and segid A) 
(residue 4 and name O3' and segid A) (residue 5 and name P and segid A) 1 10 120 2 
assign (residue 4 and name C4' and segid B) (residue 4 and name C3' and segid B) 
(residue 4 and name O3' and segid B) (residue 5 and name P and segid B) 1 10 120 2 

assign (residue 5 and name C4' and segid A) (residue 5 and name C3' and segid A) 
(residue 5 and name O3' and segid A) (residue 6 and name P and segid A) 1 230 130 2 
assign (residue 5 and name C4' and segid B) (residue 5 and name C3' and segid B) 
(residue 5 and name O3' and segid B) (residue 6 and name P and segid B) 1 230 130 2 
assign (residue 5 and name C4' and segid A) (residue 5 and name C3' and segid A) 
(residue 5 and name O3' and segid A) (residue 6 and name P and segid A) 1 10 120 2 
assign (residue 5 and name C4' and segid B) (residue 5 and name C3' and segid B) 
(residue 5 and name O3' and segid B) (residue 6 and name P and segid B) 1 10 120 2 
 
assign (residue 6 and name C4' and segid A) (residue 6 and name C3' and segid A) 
(residue 6 and name O3' and segid A) (residue 7 and name P and segid A) 1 120 120 2 
assign (residue 6 and name C4' and segid B) (residue 6 and name C3' and segid B) 
(residue 6 and name O3' and segid B) (residue 7 and name P and segid B) 1 120 120 2
assign (residue 6 and name C4' and segid A) (residue 6 and name C3' and segid A) 
(residue 6 and name O3' and segid A) (residue 7 and name P and segid A) 1 300 160 2 
assign (residue 6 and name C4' and segid B) (residue 6 and name C3' and segid B) 
(residue 6 and name O3' and segid B) (residue 7 and name P and segid B) 1 300 160 2

assign (residue 7 and name C4' and segid A) (residue 7 and name C3' and segid A) 
(residue 7 and name O3' and segid A) (residue 8 and name P and segid A) 1 120 120 2 
assign (residue 7 and name C4' and segid B) (residue 7 and name C3' and segid B) 
(residue 7 and name O3' and segid B) (residue 8 and name P and segid B) 1 120 120 2 
assign (residue 7 and name C4' and segid A) (residue 7 and name C3' and segid A) 
(residue 7 and name O3' and segid A) (residue 8 and name P and segid A) 1 300 160 2 
assign (residue 7 and name C4' and segid B) (residue 7 and name C3' and segid B) 
(residue 7 and name O3' and segid B) (residue 8 and name P and segid B) 1 300 160 2  

assign (residue 8 and name C4' and segid A) (residue 8 and name C3' and segid A) 
(residue 8 and name O3' and segid A) (residue 9 and name P and segid A) 1 230 130 2 
assign (residue 8 and name C4' and segid B) (residue 8 and name C3' and segid B) 
(residue 8 and name O3' and segid B) (residue 9 and name P and segid B) 1 230 130 2
assign (residue 8 and name C4' and segid A) (residue 8 and name C3' and segid A) 
(residue 8 and name O3' and segid A) (residue 9 and name P and segid A) 1 10 120 2 
assign (residue 8 and name C4' and segid B) (residue 8 and name C3' and segid B) 
(residue 8 and name O3' and segid B) (residue 9 and name P and segid B) 1 10 120 2 
assign (residue 8 and name C4' and segid A) (residue 8 and name C3' and segid A) 

!intra-residuerestraints                       
assign (resid 3 and name C5A and segid A) (resid 3 and name H2' and segid A) 4.7 0.5 60    
assign (resid 3 and name C5A and segid B) (resid 3 and name H2' and segid B) 4.7 0.5 60    
assign (resid 3 and name C5A and segid A) (resid 3 and name H2'' and segid A) 4.7 0.5 60    
assign (resid 3 and name C5A and segid B) (resid 3 and name H2'' and segid B) 4.7 0.5 60    
assign (resid 1 and name H1' and segid A) (resid 1 and name H3' and segid A) 3.7 0.37 0.37    
assign (resid 1 and name H1' and segid B) (resid 1 and name H3' and segid B) 3.7 0.37 0.37    
assign (resid 3 and name H1' and segid A) (resid 3 and name H3' and segid A) 3.8 0.3 0.3    
assign (resid 3 and name H1' and segid B) (resid 3 and name H3' and segid B) 3.8 0.3 0.3    
assign (resid 1 and name H1' and segid A) (resid 1 and name H4' and segid A) 2.8 0.25 0.25    
assign (resid 1 and name H1' and segid B) (resid 1 and name H4' and segid B) 2.8 0.25 0.25    
assign (resid 2 and name H1' and segid A) (resid 2 and name H4' and segid A) 2.5 0.35 0.35    
assign (resid 2 and name H1' and segid B) (resid 2 and name H4' and segid B) 2.5 0.35 0.35    
assign (resid 4 and name H1' and segid A) (resid 4 and name H4' and segid A) 3.2 0.2 0.2    
assign (resid 4 and name H1' and segid B) (resid 4 and name H4' and segid B) 3.2 0.2 0.2    
assign (resid 5 and name H1' and segid A) (resid 5 and name H4' and segid A) 3 0.25 0.25    
assign (resid 5 and name H1' and segid B) (resid 5 and name H4' and segid B) 3 0.25 0.25    
assign (resid 6 and name H1' and segid A) (resid 6 and name H4' and segid A) 3.5 0.2 0.2    
assign (resid 6 and name H1' and segid B) (resid 6 and name H4' and segid B) 3.5 0.2 0.2    
assign (resid 7 and name H1' and segid A) (resid 7 and name H4' and segid A) 3.6 0.3 0.3    
assign (resid 7 and name H1' and segid B) (resid 7 and name H4' and segid B) 3.6 0.3 0.3    
assign (resid 8 and name H1' and segid A) (resid 8 and name H4' and segid A) 2.8 0.2 0.2    
assign (resid 8 and name H1' and segid B) (resid 8 and name H4' and segid B) 2.8 0.2 0.2    
assign (resid 9 and name H1' and segid A) (resid 9 and name H4' and segid A) 3 0.15 0.15    
assign (resid 9 and name H1' and segid B) (resid 9 and name H4' and segid B) 3 0.15 0.15    
assign (resid 5 and name H2 and segid A) (resid 5 and name H1' and segid A) 4.2 0.42 0.42    
assign (resid 5 and name H2 and segid B) (resid 5 and name H1' and segid B) 4.2 0.42 0.42    
assign (resid 5 and name H2 and segid A) (resid 5 and name H2' and segid A) 4.7 0 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H2' and segid B) 4.7 0 60    
assign (resid 5 and name H2 and segid A) (resid 5 and name H2'' and segid A) 4.7 0.43 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H2'' and segid B) 4.7 0.43 60    
assign (resid 5 and name H2 and segid A) (resid 5 and name H4' and segid A) 4.6 0.46 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H4' and segid B) 4.6 0.46 60    
assign (resid 2 and name H3' and segid A) (resid 2 and name H1' and segid A) 3.2 0.6 0.6    
assign (resid 2 and name H3' and segid B) (resid 2 and name H1' and segid B) 3.2 0.6 0.6    
assign (resid 5 and name H3' and segid A) (resid 5 and name H4' and segid A) 3.4 0.5 0.5    
assign (resid 5 and name H3' and segid B) (resid 5 and name H4' and segid B) 3.4 0.5 0.5    
assign (resid 5 and name H3' and segid A) (resid 5 and name H5' and segid A) 3.4 0.5 0.5    
assign (resid 5 and name H3' and segid B) (resid 5 and name H5' and segid B) 3.4 0.5 0.5    
assign (resid 5 and name H3' and segid A) (resid 5 and name H5'' and segid A) 3.1 0.5 0.5    
assign (resid 5 and name H3' and segid B) (resid 5 and name H5'' and segid B) 3.1 0.5 0.5    
assign (resid 2 and name H4' and segid A) (resid 2 and name H1' and segid A) 2.7 0.5 0.3    
assign (resid 2 and name H4' and segid B) (resid 2 and name H1' and segid B) 2.7 0.5 0.3    
assign (resid 1 and name H4' and segid A) (resid 1 and name H2' and segid A) 3.8 0.3 60    
assign (resid 1 and name H4' and segid B) (resid 1 and name H2' and segid B) 3.8 0.3 60    
assign (resid 2 and name H4' and segid A) (resid 2 and name H2' and segid A) 3.4 0.3 60    
assign (resid 2 and name H4' and segid B) (resid 2 and name H2' and segid B) 3.4 0.3 60    
assign (resid 3 and name H4' and segid A) (resid 3 and name H2' and segid A) 3.4 0.3 0.3    
assign (resid 3 and name H4' and segid B) (resid 3 and name H2' and segid B) 3.4 0.3 0.3    
assign (resid 4 and name H4' and segid A) (resid 4 and name H2' and segid A) 3.8 0.3 0.3    
assign (resid 4 and name H4' and segid B) (resid 4 and name H2' and segid B) 3.8 0.3 0.3    
assign (resid 5 and name H4' and segid A) (resid 5 and name H2' and segid A) 3.8 0.3 0.3    
assign (resid 5 and name H4' and segid B) (resid 5 and name H2' and segid B) 3.8 0.3 0.3    
assign (resid 6 and name H4' and segid A) (resid 6 and name H2' and segid A) 3.6 0.3 60    
assign (resid 6 and name H4' and segid B) (resid 6 and name H2' and segid B) 3.6 0.3 60    
assign (resid 7 and name H4' and segid A) (resid 7 and name H2' and segid A) 3.5 0.3 60    
assign (resid 7 and name H4' and segid B) (resid 7 and name H2' and segid B) 3.5 0.3 60    
assign (resid 8 and name H4' and segid A) (resid 8 and name H2' and segid A) 3.5 0.35 60    
assign (resid 8 and name H4' and segid B) (resid 8 and name H2' and segid B) 3.5 0.35 60    
assign (resid 9 and name H4' and segid A) (resid 9 and name H2' and segid A) 3.4 0.4 60    
assign (resid 9 and name H4' and segid B) (resid 9 and name H2' and segid B) 3.4 0.4 60    
assign (resid 1 and name H4' and segid A) (resid 1 and name H2'' and segid A) 3.7 0.3 60    
assign (resid 1 and name H4' and segid B) (resid 1 and name H2'' and segid B) 3.7 0.3 60    
assign (resid 2 and name H4' and segid A) (resid 2 and name H2'' and segid A) 3.3 0.4 0.4    
assign (resid 2 and name H4' and segid B) (resid 2 and name H2'' and segid B) 3.3 0.4 0.4    
assign (resid 3 and name H4' and segid A) (resid 3 and name H2'' and segid A) 3.8 0.3 60    
assign (resid 3 and name H4' and segid B) (resid 3 and name H2'' and segid B) 3.8 0.3 60    
assign (resid 4 and name H4' and segid A) (resid 4 and name H2'' and segid A) 3.9 0.3 60    
assign (resid 4 and name H4' and segid B) (resid 4 and name H2'' and segid B) 3.9 0.3 60    
assign (resid 5 and name H4' and segid A) (resid 5 and name H2'' and segid A) 3.8 0.3 0.3    
assign (resid 5 and name H4' and segid B) (resid 5 and name H2'' and segid B) 3.8 0.3 0.3    
assign (resid 6 and name H4' and segid A) (resid 6 and name H2'' and segid A) 3 0.3 0.3    
assign (resid 6 and name H4' and segid B) (resid 6 and name H2'' and segid B) 3 0.3 0.3    
assign (resid 7 and name H4' and segid A) (resid 7 and name H2'' and segid A) 3.2 0.3 0.3    
assign (resid 7 and name H4' and segid B) (resid 7 and name H2'' and segid B) 3.2 0.3 0.3    
assign (resid 8 and name H4' and segid A) (resid 8 and name H2'' and segid A) 2.75 0.3 0.3    
assign (resid 8 and name H4' and segid B) (resid 8 and name H2'' and segid B) 2.75 0.3 0.3    
assign (resid 9 and name H4' and segid A) (resid 9 and name H2'' and segid A) 2.8 0.2 0.2    
assign (resid 9 and name H4' and segid B) (resid 9 and name H2'' and segid B) 2.8 0.2 0.2    
assign (resid 3 and name H4' and segid A) (resid 3 and name H3' and segid A) 2.8 0.5 0.5    
assign (resid 3 and name H4' and segid B) (resid 3 and name H3' and segid B) 2.8 0.5 0.5    
assign (resid 8 and name H4' and segid A) (resid 8 and name H3' and segid A) 3.2 0.3 0.3    
assign (resid 8 and name H4' and segid B) (resid 8 and name H3' and segid B) 3.2 0.3 0.3    
assign (resid 9 and name H4' and segid A) (resid 9 and name H3' and segid A) 3 0.3 0.3    
assign (resid 9 and name H4' and segid B) (resid 9 and name H3' and segid B) 3 0.3 0.3    
assign (resid 8 and name H4' and segid A) (resid 8 and name H5' and segid A) 2.4 0.3 0.3    
assign (resid 8 and name H4' and segid B) (resid 8 and name H5' and segid B) 2.4 0.3 0.3    
assign (resid 9 and name H4' and segid A) (resid 9 and name H5' and segid A) 2.4 0.3 0.3    
assign (resid 9 and name H4' and segid B) (resid 9 and name H5' and segid B) 2.4 0.3 0.3    
assign (resid 5 and name H4' and segid A) (resid 5 and name H5'' and segid A) 3 0.3 0.3    
assign (resid 5 and name H4' and segid B) (resid 5 and name H5'' and segid B) 3 0.3 0.3    
assign (resid 8 and name H4' and segid A) (resid 8 and name H5'' and segid A) 2 0.3 0.3    
assign (resid 8 and name H4' and segid B) (resid 8 and name H5'' and segid B) 2 0.3 0.3    
assign (resid 9 and name H4' and segid A) (resid 9 and name H5'' and segid A) 2.7 0.3 0.3    
assign (resid 9 and name H4' and segid B) (resid 9 and name H5'' and segid B) 2.7 0.3 0.3    
assign (resid 4 and name H5 and segid A) (resid 4 and name H3' and segid A) 4.7 0.47 60    
assign (resid 4 and name H5 and segid B) (resid 4 and name H3' and segid B) 4.7 0.47 60    
assign (resid 6 and name H5 and segid A) (resid 6 and name H3' and segid A) 4.2 0.45 0.45    
assign (resid 6 and name H5 and segid B) (resid 6 and name H3' and segid B) 4.2 0.45 0.45    
assign (resid 8 and name H5 and segid A) (resid 8 and name H3' and segid A) 4.1 0.5 0.5    
assign (resid 8 and name H5 and segid B) (resid 8 and name H3' and segid B) 4.1 0.5 0.5    
assign (resid 9 and name H5 and segid A) (resid 9 and name H3' and segid A) 3.7 0.6 0.6    
assign (resid 9 and name H5 and segid B) (resid 9 and name H3' and segid B) 3.7 0.6 0.6    
assign (resid 2 and name H5' and segid A) (resid 2 and name H3' and segid A) 2.6 0.3 0.3    
assign (resid 2 and name H5' and segid B) (resid 2 and name H3' and segid B) 2.6 0.3 0.3    
assign (resid 3 and name H5' and segid A) (resid 3 and name H3' and segid A) 3.4 0.5 0.5    
assign (resid 3 and name H5' and segid B) (resid 3 and name H3' and segid B) 3.4 0.5 0.5    
assign (resid 8 and name H5' and segid A) (resid 8 and name H3' and segid A) 3.6 0 60    
assign (resid 8 and name H5' and segid B) (resid 8 and name H3' and segid B) 3.6 0 60    
assign (resid 9 and name H5' and segid A) (resid 9 and name H3' and segid A) 3.6 0 60    
assign (resid 9 and name H5' and segid B) (resid 9 and name H3' and segid B) 3.6 0 60    
assign (resid 9 and name H5'' and segid A) (resid 9 and name H2' and segid A) 3.7 0 60    
assign (resid 9 and name H5'' and segid B) (resid 9 and name H2' and segid B) 3.7 0 60    
assign (resid 9 and name H5'' and segid A) (resid 9 and name H2'' and segid A) 3.7 0 60    
assign (resid 9 and name H5'' and segid B) (resid 9 and name H2'' and segid B) 3.7 0 60    
assign (resid 2 and name H5'' and segid A) (resid 2 and name H3' and segid A) 2.6 0.3 0.3    
assign (resid 2 and name H5'' and segid B) (resid 2 and name H3' and segid B) 2.6 0.3 0.3    
assign (resid 8 and name H5'' and segid A) (resid 8 and name H3' and segid A) 3.7 0.3 0.3    
assign (resid 8 and name H5'' and segid B) (resid 8 and name H3' and segid B) 3.7 0.3 0.3    
assign (resid 9 and name H5'' and segid A) (resid 9 and name H3' and segid A) 3.1 0.3 0.3    
assign (resid 9 and name H5'' and segid B) (resid 9 and name H3' and segid B) 3.1 0.3 0.3    
assign (resid 1 and name H6 and segid A) (resid 1 and name H1' and segid A) 3.5 0.2 0.2    
assign (resid 1 and name H6 and segid B) (resid 1 and name H1' and segid B) 3.5 0.2 0.2    
assign (resid 3 and name H6 and segid A) (resid 3 and name H1' and segid A) 3.6 0.3 0.3    
assign (resid 3 and name H6 and segid B) (resid 3 and name H1' and segid B) 3.6 0.3 0.3    
assign (resid 4 and name H6 and segid A) (resid 4 and name H1' and segid A) 3.8 0.2 0.2    
assign (resid 4 and name H6 and segid B) (resid 4 and name H1' and segid B) 3.8 0.2 0.2    
assign (resid 6 and name H6 and segid A) (resid 6 and name H1' and segid A) 3.7 0.1 0.1    
assign (resid 6 and name H6 and segid B) (resid 6 and name H1' and segid B) 3.7 0.1 0.1    
assign (resid 7 and name H6 and segid A) (resid 7 and name H1' and segid A) 3.7 0.1 0.1    
assign (resid 7 and name H6 and segid B) (resid 7 and name H1' and segid B) 3.7 0.1 0.1    
assign (resid 8 and name H6 and segid A) (resid 8 and name H1' and segid A) 3.5 0.2 0.2    
assign (resid 8 and name H6 and segid B) (resid 8 and name H1' and segid B) 3.5 0.2 0.2    
assign (resid 9 and name H6 and segid A) (resid 9 and name H1' and segid A) 3.6 0.15 0.15    
assign (resid 9 and name H6 and segid B) (resid 9 and name H1' and segid B) 3.6 0.15 0.15    
assign (resid 1 and name H6 and segid A) (resid 1 and name H3' and segid A) 3.7 0.15 0.15    
assign (resid 1 and name H6 and segid B) (resid 1 and name H3' and segid B) 3.7 0.15 0.15    
assign (resid 2 and name H6 and segid A) (resid 2 and name H3' and segid A) 3.5 0.15 0.15    
assign (resid 2 and name H6 and segid B) (resid 2 and name H3' and segid B) 3.5 0.15 0.15    
assign (resid 3 and name H6 and segid A) (resid 3 and name H3' and segid A) 3.8 0.3 0.3    
assign (resid 3 and name H6 and segid B) (resid 3 and name H3' and segid B) 3.8 0.3 0.3    
assign (resid 4 and name H6 and segid A) (resid 4 and name H3' and segid A) 3.9 0.27 0.27    
assign (resid 4 and name H6 and segid B) (resid 4 and name H3' and segid B) 3.9 0.27 0.27    
assign (resid 6 and name H6 and segid A) (resid 6 and name H3' and segid A) 2.3 0.15 0.15    
assign (resid 6 and name H6 and segid B) (resid 6 and name H3' and segid B) 2.3 0.15 0.15    
assign (resid 7 and name H6 and segid A) (resid 7 and name H3' and segid A) 2.5 0.15 0.15    
assign (resid 7 and name H6 and segid B) (resid 7 and name H3' and segid B) 2.5 0.15 0.15    
assign (resid 8 and name H6 and segid A) (resid 8 and name H3' and segid A) 2.3 0.15 0.15    
assign (resid 8 and name H6 and segid B) (resid 8 and name H3' and segid B) 2.3 0.15 0.15    
assign (resid 9 and name H6 and segid A) (resid 9 and name H3' and segid A) 2.2 0.15 0.15    
assign (resid 9 and name H6 and segid B) (resid 9 and name H3' and segid B) 2.2 0.15 0.15    
assign (resid 1 and name H6 and segid A) (resid 1 and name H4' and segid A) 4 0.5 0.5    
assign (resid 1 and name H6 and segid B) (resid 1 and name H4' and segid B) 4 0.5 0.5    
assign (resid 2 and name H6 and segid A) (resid 2 and name H4' and segid A) 3.9 0.45 0.45    
assign (resid 2 and name H6 and segid B) (resid 2 and name H4' and segid B) 3.9 0.45 0.45    
assign (resid 3 and name H6 and segid A) (resid 3 and name H4' and segid A) 4.7 0 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H4' and segid B) 4.7 0 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H4' and segid A) 4.3 0.43 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H4' and segid B) 4.3 0.43 60    
assign (resid 6 and name H6 and segid A) (resid 6 and name H4' and segid A) 4.6 0.4 0.4    
assign (resid 6 and name H6 and segid B) (resid 6 and name H4' and segid B) 4.6 0.4 0.4    
assign (resid 7 and name H6 and segid A) (resid 7 and name H4' and segid A) 3.9 0.3 0.3    
assign (resid 7 and name H6 and segid B) (resid 7 and name H4' and segid B) 3.9 0.3 0.3    
assign (resid 8 and name H6 and segid A) (resid 8 and name H4' and segid A) 4.2 0.4 0.4    
assign (resid 8 and name H6 and segid B) (resid 8 and name H4' and segid B) 4.2 0.4 0.4    
assign (resid 1 and name H6 and segid A) (resid 1 and name H5' and segid A) 4.9 0.3 60    
assign (resid 1 and name H6 and segid B) (resid 1 and name H5' and segid B) 4.9 0.3 60    
assign (resid 3 and name H6 and segid A) (resid 3 and name H5' and segid A) 4.5 0.3 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H5' and segid B) 4.5 0.3 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H5' and segid A) 4.1 0.3 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H5' and segid B) 4.1 0.3 60    
assign (resid 6 and name H6 and segid A) (resid 6 and name H5' and segid A) 4.3 0.3 60    
assign (resid 6 and name H6 and segid B) (resid 6 and name H5' and segid B) 4.3 0.3 60    
assign (resid 7 and name H6 and segid A) (resid 7 and name H5' and segid A) 4 0 60    
assign (resid 7 and name H6 and segid B) (resid 7 and name H5' and segid B) 4 0 60    
assign (resid 8 and name H6 and segid A) (resid 8 and name H5' and segid A) 4.4 0.3 60    
assign (resid 8 and name H6 and segid B) (resid 8 and name H5' and segid B) 4.4 0.3 60    
assign (resid 9 and name H6 and segid A) (resid 9 and name H5' and segid A) 4.3 0.3 0.3    
assign (resid 9 and name H6 and segid B) (resid 9 and name H5' and segid B) 4.3 0.3 0.3    
assign (resid 1 and name H6 and segid A) (resid 1 and name H5'' and segid A) 4.9 0.3 60    
assign (resid 1 and name H6 and segid B) (resid 1 and name H5'' and segid B) 4.9 0.3 60    
assign (resid 3 and name H6 and segid A) (resid 3 and name H5'' and segid A) 4.5 0.3 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H5'' and segid B) 4.5 0.3 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H5'' and segid A) 4.1 0.3 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H5'' and segid B) 4.1 0.3 60    
assign (resid 6 and name H6 and segid A) (resid 6 and name H5'' and segid A) 4.3 0.3 60    
assign (resid 6 and name H6 and segid B) (resid 6 and name H5'' and segid B) 4.3 0.3 60    
assign (resid 7 and name H6 and segid A) (resid 7 and name H5'' and segid A) 4 0 60    
assign (resid 7 and name H6 and segid B) (resid 7 and name H5'' and segid B) 4 0 60    
assign (resid 8 and name H6 and segid A) (resid 8 and name H5'' and segid A) 4.4 0.3 60    
assign (resid 8 and name H6 and segid B) (resid 8 and name H5'' and segid B) 4.4 0.3 60    
assign (resid 9 and name H6 and segid A) (resid 9 and name H5'' and segid A) 4.4 0.3 0.3    
assign (resid 9 and name H6 and segid B) (resid 9 and name H5'' and segid B) 4.4 0.3 0.3    
assign (resid 5 and name H8 and segid A) (resid 5 and name H1' and segid A) 3.6 0.2 0.2    
assign (resid 5 and name H8 and segid B) (resid 5 and name H1' and segid B) 3.6 0.2 0.2    
assign (resid 5 and name H8 and segid A) (resid 5 and name H2' and segid A) 2.7 0.3 0.3    
assign (resid 5 and name H8 and segid B) (resid 5 and name H2' and segid B) 2.7 0.3 0.3    
assign (resid 5 and name H8 and segid A) (resid 5 and name H2'' and segid A) 3.5 0.4 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H2'' and segid B) 3.5 0.4 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H3' and segid A) 4 0.25 0.25    
assign (resid 5 and name H8 and segid B) (resid 5 and name H3' and segid B) 4 0.25 0.25    
assign (resid 5 and name H8 and segid A) (resid 5 and name H4' and segid A) 4.2 0.72 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H4' and segid B) 4.2 0.72 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H5' and segid A) 4.4 0.3 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H5' and segid B) 4.4 0.3 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H5'' and segid A) 4.4 0.3 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H5'' and segid B) 4.4 0.3 60    
!inter-residue restraibts                       
assign (resid 1 and name C5A and segid A) (resid 8 and name H5 and segid B) 3.7 1.9 0.5    
assign (resid 1 and name C5A and segid B) (resid 8 and name H5 and segid A) 3.7 1.9 0.5    
assign (resid 1 and name C5A and segid A) (resid 8 and name H6 and segid B) 4.7 2 0.5    
assign (resid 1 and name C5A and segid B) (resid 8 and name H6 and segid A) 4.7 2 0.5    
assign (resid 1 and name H1' and segid A) (resid 8 and name H1' and segid A) 4.7 1.4 0    
assign (resid 1 and name H1' and segid B) (resid 8 and name H1' and segid B) 4.7 1.4 0    
assign (resid 1 and name H1' and segid A) (resid 8 and name H2'' and segid A) 2.7 0.9 0    
assign (resid 1 and name H1' and segid B) (resid 8 and name H2'' and segid B) 2.7 0.9 0    
assign (resid 1 and name H2'' and segid A) (resid 8 and name H1' and segid A) 3.7 1.4 0.5    
assign (resid 1 and name H2'' and segid B) (resid 8 and name H1' and segid B) 3.7 1.4 0.5    
assign (resid 1 and name H1' and segid A) (resid 9 and name H4' and segid A) 3.7 1.4 0    
assign (resid 1 and name H1' and segid B) (resid 9 and name H4' and segid B) 3.7 1.4 0    
assign (resid 1 and name H1' and segid A) (resid 9 and name H1' and segid A) 3.7 1.4 0    
assign (resid 1 and name H1' and segid B) (resid 9 and name H1' and segid B) 3.7 1.4 0    
assign (resid 1 and name H4' and segid A) (resid 9 and name H4' and segid A) 3.7 1.4 0    
assign (resid 1 and name H4' and segid B) (resid 9 and name H4' and segid B) 3.7 1.4 0    
assign (resid 2 and name H2'' and segid A) (resid 3 and name H5' and segid A) 2.7 0.9 0    
assign (resid 2 and name H2'' and segid B) (resid 3 and name H5' and segid B) 2.7 0.9 0    
assign (resid 2 and name H3' and segid A) (resid 3 and name C5A and segid A) 3.7 0.5 0.5    
assign (resid 2 and name H3' and segid B) (resid 3 and name C5A and segid B) 3.7 0.5 0.5    
assign (resid 2 and name H3' and segid A) (resid 3 and name H6 and segid A) 4.7 1.4 0    
assign (resid 2 and name H3' and segid B) (resid 3 and name H6 and segid B) 4.7 1.4 0    
assign (resid 2 and name H1' and segid A) (resid 7 and name H1' and segid A) 4.7 1.4 0    
assign (resid 2 and name H1' and segid B) (resid 7 and name H1' and segid B) 4.7 1.4 0    
assign (resid 2 and name H1' and segid A) (resid 7 and name H2'' and segid A) 3.7 1.4 0    
assign (resid 2 and name H1' and segid B) (resid 7 and name H2'' and segid B) 3.7 1.4 0    
assign (resid 2 and name H2'' and segid A) (resid 7 and name H1' and segid A) 3.7 1.4 0    
assign (resid 2 and name H2'' and segid B) (resid 7 and name H1' and segid B) 3.7 1.4 0    
assign (resid 2 and name H5 and segid A) (resid 7 and name C5A and segid B) 3.7 1.9 0.5    
assign (resid 2 and name H5 and segid B) (resid 7 and name C5A and segid A) 3.7 1.9 0.5    
assign (resid 2 and name H1' and segid A) (resid 8 and name H1' and segid A) 3.7 1.4 0    
assign (resid 2 and name H1' and segid B) (resid 8 and name H1' and segid B) 3.7 1.4 0    
assign (resid 2 and name H1' and segid A) (resid 8 and name H1' and segid A) 3.7 1.4 0    
assign (resid 2 and name H1' and segid B) (resid 8 and name H1' and segid B) 3.7 1.4 0    
assign (resid 2 and name H4' and segid A) (resid 8 and name H1' and segid A) 4.7 1.4 0    
assign (resid 2 and name H4' and segid B) (resid 8 and name H1' and segid B) 4.7 1.4 0    
assign (resid 3 and name H1' and segid A) (resid 4 and name H5 and segid A) 4.7 1.4 0    
assign (resid 3 and name H1' and segid B) (resid 4 and name H5 and segid B) 4.7 1.4 0    
assign (resid 3 and name H1' and segid A) (resid 4 and name H6 and segid A) 4.7 1.4 0    
assign (resid 3 and name H1' and segid B) (resid 4 and name H6 and segid B) 4.7 1.4 0    
assign (resid 3 and name C5A and segid A) (resid 7 and name C5A and segid B) 4.7 1.9 1    
assign (resid 3 and name C5A and segid B) (resid 7 and name C5A and segid A) 4.7 1.9 1    
assign (resid 4 and name H1' and segid A) (resid 5 and name H1' and segid A) 4.7 1.4 0    
assign (resid 4 and name H1' and segid B) (resid 5 and name H1' and segid B) 4.7 1.4 0    
assign (resid 4 and name H1' and segid A) (resid 5 and name H4' and segid A) 3.7 1.4 0    
assign (resid 4 and name H1' and segid B) (resid 5 and name H4' and segid B) 3.7 1.4 0    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H1' and segid A) 3.7 1.4 0    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H1' and segid B) 3.7 1.4 0    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H2 and segid A) 4.7 1.4 0    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H2 and segid B) 4.7 1.4 0    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H4' and segid A) 3.7 1.4 0    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H4' and segid B) 3.7 1.4 0    
assign (resid 4 and name H5 and segid A) (resid 5 and name H2 and segid A) 4.7 1.4 0    
assign (resid 4 and name H5 and segid B) (resid 5 and name H2 and segid B) 4.7 1.4 0    
assign (resid 4 and name H1' and segid A) (resid 6 and name H1' and segid A) 3.7 1.4 0    
assign (resid 4 and name H1' and segid B) (resid 6 and name H1' and segid B) 3.7 1.4 0    
assign (resid 4 and name H1' and segid A) (resid 6 and name H4' and segid A) 3.7 1.4 0    
assign (resid 4 and name H1' and segid B) (resid 6 and name H4' and segid B) 3.7 1.4 0    
assign (resid 4 and name H4' and segid A) (resid 6 and name H1' and segid A) 3.7 1.4 0    
assign (resid 4 and name H4' and segid B) (resid 6 and name H1' and segid B) 3.7 1.4 0    
assign (resid 4 and name H5 and segid A) (resid 6 and name H5 and segid B) 4.7 1.8 0    
assign (resid 4 and name H5 and segid B) (resid 6 and name H5 and segid A) 4.7 1.8 0    
assign (resid 6 and name H1' and segid A) (resid 7 and name C5A and segid A) 4.7 2 0.5    
assign (resid 6 and name H1' and segid B) (resid 7 and name C5A and segid B) 4.7 2 0.5    
assign (resid 6 and name H2' and segid A) (resid 7 and name H6 and segid A) 3.7 1.4 0    
assign (resid 6 and name H2' and segid B) (resid 7 and name H6 and segid B) 3.7 1.4 0    
assign (resid 6 and name H3' and segid A) (resid 7 and name H6 and segid A) 4.7 1.4 0    
assign (resid 6 and name H3' and segid B) (resid 7 and name H6 and segid B) 4.7 1.4 0    
assign (resid 6 and name H5 and segid A) (resid 7 and name C5A and segid A) 3.7 1.9 0.5    
assign (resid 6 and name H5 and segid B) (resid 7 and name C5A and segid B) 3.7 1.9 0.5    
assign (resid 6 and name H6 and segid A) (resid 7 and name C5A and segid A) 4.7 2 0.5    
assign (resid 6 and name H6 and segid B) (resid 7 and name C5A and segid B) 4.7 2 0.5    
assign (resid 7 and name H2' and segid A) (resid 8 and name H6 and segid A) 3.7 1.4 0    
assign (resid 7 and name H2' and segid B) (resid 8 and name H6 and segid B) 3.7 1.4 0    
assign (resid 7 and name H2'' and segid A) (resid 8 and name H5' and segid A) 3.7 1.5 0    
assign (resid 7 and name H2'' and segid B) (resid 8 and name H5' and segid B) 3.7 1.5 0    
assign (resid 8 and name H1' and segid A) (resid 9 and name H5' and segid A) 4.7 1.4 0    
assign (resid 8 and name H1' and segid B) (resid 9 and name H5' and segid B) 4.7 1.4 0    
assign (resid 8 and name H2'' and segid A) (resid 9 and name H5' and segid A) 2.7 0.9 0    
assign (resid 8 and name H2'' and segid B) (resid 9 and name H5' and segid B) 2.7 0.9 0    
!inter-residue-restraints                       
assign (resid 1 and name C5A and segid A) (resid 8 and name H42 and segid B) 3.7 1.9 0.5    
assign (resid 1 and name C5A and segid B) (resid 8 and name H42 and segid A) 3.7 1.9 0.5    
assign (resid 1 and name H2'' and segid A) (resid 8 and name H42 and segid B) 3.7 1.4 0    
assign (resid 1 and name H2'' and segid B) (resid 8 and name H42 and segid A) 3.7 1.4 0    
assign (resid 1 and name H42 and segid A) (resid 8 and name H2' and segid B) 4.7 1.5 0    
assign (resid 1 and name H42 and segid B) (resid 8 and name H2' and segid A) 4.7 1.5 0    
assign (resid 1 and name H6 and segid A) (resid 8 and name H42 and segid B) 4.7 1.5 0    
assign (resid 1 and name H6 and segid B) (resid 8 and name H42 and segid A) 4.7 1.5 0    
assign (resid 1 and name C5A and segid A) (resid 9 and name H41 and segid B) 3.7 1.9 0.5    
assign (resid 1 and name C5A and segid B) (resid 9 and name H41 and segid A) 3.7 1.9 0.5    
assign (resid 1 and name H1' and segid A) (resid 9 and name H42 and segid B) 4.7 2 0    
assign (resid 1 and name H1' and segid B) (resid 9 and name H42 and segid A) 4.7 2 0    
assign (resid 1 and name H41 and segid A) (resid 9 and name H5 and segid B) 3.7 1.4 0    
assign (resid 1 and name H41 and segid B) (resid 9 and name H5 and segid A) 3.7 1.4 0    
assign (resid 2 and name H2' and segid A) (resid 7 and name H3 and segid A) 4.7 1.5 0    
assign (resid 2 and name H2' and segid B) (resid 7 and name H3 and segid B) 4.7 1.5 0    
assign (resid 2 and name H2'' and segid A) (resid 7 and name H3 and segid A) 4.7 1.5 0    
assign (resid 2 and name H2'' and segid B) (resid 7 and name H3 and segid B) 4.7 1.5 0    
assign (resid 2 and name H41 and segid A) (resid 7 and name C5A and segid B) 3.7 1.9 0.5    
assign (resid 2 and name H41 and segid B) (resid 7 and name C5A and segid A) 3.7 1.9 0.5    
assign (resid 2 and name H41 and segid A) (resid 7 and name H6 and segid B) 3.7 1.4 0    
assign (resid 2 and name H41 and segid B) (resid 7 and name H6 and segid A) 3.7 1.4 0    
assign (resid 2 and name H42 and segid A) (resid 7 and name H2' and segid B) 3.7 1.4 0    
assign (resid 2 and name H42 and segid B) (resid 7 and name H2' and segid A) 3.7 1.4 0    
assign (resid 2 and name H42 and segid A) (resid 7 and name H3 and segid B) 3.7 1.5 0    
assign (resid 2 and name H42 and segid B) (resid 7 and name H3 and segid A) 3.7 1.5 0    
assign (resid 2 and name H5 and segid A) (resid 8 and name H41 and segid B) 3.7 1.4 0    
assign (resid 2 and name H5 and segid B) (resid 8 and name H41 and segid A) 3.7 1.4 0    
assign (resid 3 and name H1' and segid A) (resid 6 and name H42 and segid B) 4.7 1.5 0    
assign (resid 3 and name H1' and segid B) (resid 6 and name H42 and segid A) 4.7 1.5 0    
assign (resid 3 and name H3 and segid A) (resid 6 and name H5 and segid B) 3.7 1.4 0    
assign (resid 3 and name H3 and segid B) (resid 6 and name H5 and segid A) 3.7 1.4 0    
assign (resid 3 and name H3 and segid A) (resid 6 and name H6 and segid B) 4.7 1.5 0    
assign (resid 3 and name H3 and segid B) (resid 6 and name H6 and segid A) 4.7 1.5 0    
assign (resid 3 and name H3 and segid A) (resid 6 and name H2' and segid B) 4.7 1.5 0    
assign (resid 3 and name H3 and segid B) (resid 6 and name H2' and segid A) 4.7 1.5 0    
assign (resid 3 and name H3 and segid A) (resid 7 and name C5A and segid B) 4.7 2 0.5    
assign (resid 3 and name H3 and segid B) (resid 7 and name C5A and segid A) 4.7 2 0.5    
assign (resid 4 and name H41 and segid A) (resid 5 and name H2'' and segid B) 4.7 1.4 0.5    
assign (resid 4 and name H41 and segid B) (resid 5 and name H2'' and segid A) 4.7 1.4 0.5    
assign (resid 4 and name H42 and segid A) (resid 5 and name H1' and segid B) 3.7 1.4 0    
assign (resid 4 and name H42 and segid B) (resid 5 and name H1' and segid A) 3.7 1.4 0    
assign (resid 4 and name H42 and segid A) (resid 6 and name H5 and segid B) 3.7 1.9 0    
assign (resid 4 and name H42 and segid B) (resid 6 and name H5 and segid A) 3.7 1.9 0    
assign (resid 4 and name H5 and segid A) (resid 6 and name H41 and segid B) 3.7 1.4 0    
assign (resid 4 and name H5 and segid B) (resid 6 and name H41 and segid A) 3.7 1.4 0    
assign (resid 4 and name H5 and segid A) (resid 6 and name H42 and segid B) 4.7 1.5 0    
assign (resid 4 and name H5 and segid B) (resid 6 and name H42 and segid A) 4.7 1.5 0    
assign (resid 4 and name H6 and segid A) (resid 6 and name H42 and segid B) 3.7 1.7 0    
assign (resid 4 and name H6 and segid B) (resid 6 and name H42 and segid A) 3.7 1.7 0    
assign (resid 6 and name H42 and segid A) (resid 7 and name H3 and segid B) 3.7 1.4 0    
assign (resid 6 and name H42 and segid B) (resid 7 and name H3 and segid A) 3.7 1.4 0    
!Repulsive restraints                       
assign (resid 1 and name H4' and segid A) (resid 1 and name H2' and segid A) 3.8 0.3 60    
assign (resid 1 and name H4' and segid B) (resid 1 and name H2' and segid B) 3.8 0.3 60    
assign (resid 1 and name H4' and segid A) (resid 1 and name H2'' and segid A) 3.7 0.3 60    
assign (resid 1 and name H4' and segid B) (resid 1 and name H2'' and segid B) 3.7 0.3 60    
assign (resid 1 and name H6 and segid A) (resid 1 and name H5'' and segid A) 4.9 0.3 60    
assign (resid 1 and name H6 and segid B) (resid 1 and name H5'' and segid B) 4.9 0.3 60    
assign (resid 1 and name H6 and segid A) (resid 1 and name H5' and segid A) 4.9 0.3 60    
assign (resid 1 and name H6 and segid B) (resid 1 and name H5' and segid B) 4.9 0.3 60    
assign (resid 1 and name H1' and segid A) (resid 8 and name H2' and segid A) 3.2 0 60    
assign (resid 1 and name H1' and segid B) (resid 8 and name H2' and segid B) 3.2 0 60    
assign (resid 1 and name H1' and segid A) (resid 8 and name H6 and segid A) 4.7 0 60    
assign (resid 1 and name H1' and segid B) (resid 8 and name H6 and segid B) 4.7 0 60    
assign (resid 1 and name H2' and segid A) (resid 8 and name H1' and segid A) 3.6 0.3 40    
assign (resid 1 and name H2' and segid B) (resid 8 and name H1' and segid B) 3.6 0.3 40    
assign (resid 1 and name H6 and segid A) (resid 8 and name H1' and segid A) 4.7 0 60    
assign (resid 1 and name H6 and segid B) (resid 8 and name H1' and segid B) 4.7 0 60    
assign (resid 1 and name C5A and segid A) (resid 9 and name H6 and segid B) 4.7 0.5 60    
assign (resid 1 and name C5A and segid B) (resid 9 and name H6 and segid A) 4.7 0.5 60    
assign (resid 1 and name C5A and segid A) (resid 9 and name H42 and segid B) 3.2 0.5 60    
assign (resid 1 and name C5A and segid B) (resid 9 and name H42 and segid A) 3.2 0.5 60    
assign (resid 1 and name H42 and segid A) (resid 9 and name H5 and segid B) 3.8 0 60    
assign (resid 1 and name H42 and segid B) (resid 9 and name H5 and segid A) 3.8 0 60    
assign (resid 2 and name H4' and segid A) (resid 2 and name H2' and segid A) 3.4 0.3 60    
assign (resid 2 and name H4' and segid B) (resid 2 and name H2' and segid B) 3.4 0.3 60    
assign (resid 2 and name H2' and segid A) (resid 3 and name H5' and segid A) 3.8 0 60    
assign (resid 2 and name H2' and segid B) (resid 3 and name H5' and segid B) 3.8 0 60    
assign (resid 2 and name H2' and segid A) (resid 3 and name H5'' and segid A) 3.8 0 60    
assign (resid 2 and name H2' and segid B) (resid 3 and name H5'' and segid B) 3.8 0 60    
assign (resid 2 and name H2'' and segid A) (resid 3 and name H5'' and segid A) 3.8 0 60    
assign (resid 2 and name H2'' and segid B) (resid 3 and name H5'' and segid B) 3.8 0 60    
assign (resid 2 and name H1' and segid A) (resid 7 and name H2' and segid A) 3.4 0 60    
assign (resid 2 and name H1' and segid B) (resid 7 and name H2' and segid B) 3.4 0 60    
assign (resid 2 and name H2' and segid A) (resid 7 and name H1' and segid A) 3.7 0 60    
assign (resid 2 and name H2' and segid B) (resid 7 and name H1' and segid B) 3.7 0 60    
assign (resid 2 and name H41 and segid A) (resid 7 and name H1' and segid B) 4.7 0 60    
assign (resid 2 and name H41 and segid B) (resid 7 and name H1' and segid A) 4.7 0 60    
assign (resid 2 and name H41 and segid A) (resid 7 and name H2' and segid B) 2.7 0 60    
assign (resid 2 and name H41 and segid B) (resid 7 and name H2' and segid A) 2.7 0 60    
assign (resid 2 and name H42 and segid A) (resid 7 and name C5A and segid B) 3 0.5 60    
assign (resid 2 and name H42 and segid B) (resid 7 and name C5A and segid A) 3 0.5 60    
assign (resid 2 and name H42 and segid A) (resid 7 and name H2'' and segid B) 3 0 60    
assign (resid 2 and name H42 and segid B) (resid 7 and name H2'' and segid A) 3 0 60    
assign (resid 2 and name H42 and segid A) (resid 7 and name H6 and segid B) 3.9 0 60    
assign (resid 2 and name H42 and segid B) (resid 7 and name H6 and segid A) 3.9 0 60    
assign (resid 2 and name H5 and segid A) (resid 7 and name H6 and segid B) 4.7 0 60    
assign (resid 2 and name H5 and segid B) (resid 7 and name H6 and segid A) 4.7 0 60    
assign (resid 2 and name H6 and segid A) (resid 7 and name C5A and segid B) 4.7 0.5 60    
assign (resid 2 and name H6 and segid B) (resid 7 and name C5A and segid A) 4.7 0.5 60    
assign (resid 3 and name C5A and segid A) (resid 3 and name H2' and segid A) 4.7 0.5 60    
assign (resid 3 and name C5A and segid B) (resid 3 and name H2' and segid B) 4.7 0.5 60    
assign (resid 3 and name C5A and segid A) (resid 3 and name H2'' and segid A) 4.7 0.5 60    
assign (resid 3 and name C5A and segid B) (resid 3 and name H2'' and segid B) 4.7 0.5 60    
assign (resid 3 and name H4' and segid A) (resid 3 and name H2'' and segid A) 3.8 0.3 60    
assign (resid 3 and name H4' and segid B) (resid 3 and name H2'' and segid B) 3.8 0.3 60    
assign (resid 3 and name H6 and segid A) (resid 3 and name H5'' and segid A) 4.5 0.3 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H5'' and segid B) 4.5 0.3 60    
assign (resid 3 and name H6 and segid A) (resid 3 and name H4' and segid A) 4.7 0 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H4' and segid B) 4.7 0 60    
assign (resid 3 and name H6 and segid A) (resid 3 and name H5' and segid A) 4.5 0.3 60    
assign (resid 3 and name H6 and segid B) (resid 3 and name H5' and segid B) 4.5 0.3 60    
assign (resid 4 and name H4' and segid A) (resid 4 and name H2'' and segid A) 3.9 0.3 60    
assign (resid 4 and name H4' and segid B) (resid 4 and name H2'' and segid B) 3.9 0.3 60    
assign (resid 4 and name H5 and segid A) (resid 4 and name H3' and segid A) 4.7 0.47 60    
assign (resid 4 and name H5 and segid B) (resid 4 and name H3' and segid B) 4.7 0.47 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H5'' and segid A) 4.1 0.3 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H5'' and segid B) 4.1 0.3 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H5' and segid A) 4.1 0.3 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H5' and segid B) 4.1 0.3 60    
assign (resid 4 and name H6 and segid A) (resid 4 and name H4' and segid A) 4.3 0.43 60    
assign (resid 4 and name H6 and segid B) (resid 4 and name H4' and segid B) 4.3 0.43 60    
assign (resid 4 and name H1' and segid A) (resid 5 and name H2 and segid A) 4.7 0 40    
assign (resid 4 and name H1' and segid B) (resid 5 and name H2 and segid B) 4.7 0 40    
assign (resid 4 and name H2' and segid A) (resid 5 and name H4' and segid A) 3.5 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H4' and segid B) 3.5 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H1' and segid A) 3.7 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H1' and segid B) 3.7 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H5' and segid A) 3.8 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H5' and segid B) 3.8 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H1' and segid A) 3.7 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H1' and segid B) 3.7 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H2 and segid A) 3.9 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H2 and segid B) 3.9 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H8 and segid A) 4.2 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H8 and segid B) 4.2 0 60    
assign (resid 4 and name H2' and segid A) (resid 5 and name H5'' and segid A) 3.8 0 60    
assign (resid 4 and name H2' and segid B) (resid 5 and name H5'' and segid B) 3.8 0 60    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H5' and segid A) 3.8 0 60    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H5' and segid B) 3.8 0 60    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H8 and segid A) 4.2 0 60    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H8 and segid B) 4.2 0 60    
assign (resid 4 and name H2'' and segid A) (resid 5 and name H5'' and segid A) 3.8 0 60    
assign (resid 4 and name H2'' and segid B) (resid 5 and name H5'' and segid B) 3.8 0 60    
assign (resid 4 and name H3' and segid A) (resid 5 and name H2 and segid A) 4.7 0 60    
assign (resid 4 and name H3' and segid B) (resid 5 and name H2 and segid B) 4.7 0 60    
assign (resid 4 and name H3' and segid A) (resid 5 and name H4' and segid B) 4.2 0 60    
assign (resid 4 and name H3' and segid B) (resid 5 and name H4' and segid A) 4.2 0 60    
assign (resid 4 and name H3' and segid A) (resid 5 and name H2'' and segid A) 4.7 0 60    
assign (resid 4 and name H3' and segid B) (resid 5 and name H2'' and segid B) 4.7 0 60    
assign (resid 4 and name H41 and segid A) (resid 5 and name H2 and segid B) 4.7 0 60    
assign (resid 4 and name H41 and segid B) (resid 5 and name H2 and segid A) 4.7 0 60    
assign (resid 4 and name H41 and segid A) (resid 5 and name H1' and segid B) 3 0 60    
assign (resid 4 and name H41 and segid B) (resid 5 and name H1' and segid A) 3 0 60    
assign (resid 4 and name H41 and segid A) (resid 5 and name H2' and segid B) 3.8 0 60    
assign (resid 4 and name H41 and segid B) (resid 5 and name H2' and segid A) 3.8 0 60    
assign (resid 4 and name H41 and segid A) (resid 5 and name H2 and segid A) 4.7 0 60    
assign (resid 4 and name H41 and segid B) (resid 5 and name H2 and segid B) 4.7 0 60    
assign (resid 4 and name H42 and segid A) (resid 5 and name H2' and segid B) 4.7 0 60    
assign (resid 4 and name H42 and segid B) (resid 5 and name H2' and segid A) 4.7 0 60    
assign (resid 4 and name H42 and segid A) (resid 5 and name H2 and segid A) 4.7 0 60    
assign (resid 4 and name H42 and segid B) (resid 5 and name H2 and segid B) 4.7 0 60    
assign (resid 4 and name H42 and segid A) (resid 5 and name H2 and segid B) 4.7 0 60    
assign (resid 4 and name H42 and segid B) (resid 5 and name H2 and segid A) 4.7 0 60    
assign (resid 4 and name H5 and segid A) (resid 6 and name H41 and segid B) 3.7 0 60    
assign (resid 4 and name H5 and segid B) (resid 6 and name H41 and segid A) 3.7 0 60    
assign (resid 4 and name H5 and segid A) (resid 6 and name H42 and segid B) 3.7 0 60    
assign (resid 4 and name H5 and segid B) (resid 6 and name H42 and segid A) 3.7 0 60    
assign (resid 4 and name H6 and segid A) (resid 6 and name H1' and segiD A) 4.7 0 60    
assign (resid 4 and name H6 and segid B) (resid 6 and name H1' and segiD B) 4.7 0 60    
assign (resid 5 and name H2 and segid A) (resid 5 and name H2'' and segid A) 4.7 0.43 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H2'' and segid B) 4.7 0.43 60    
assign (resid 5 and name H2 and segid A) (resid 5 and name H4' and segid A) 4.6 0.46 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H4' and segid B) 4.6 0.46 60    
assign (resid 5 and name H2 and segid A) (resid 5 and name H2' and segid A) 4.7 0 60    
assign (resid 5 and name H2 and segid B) (resid 5 and name H2' and segid B) 4.7 0 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H5'' and segid A) 4.4 0.3 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H5'' and segid B) 4.4 0.3 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H5' and segid A) 4.4 0.3 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H5' and segid B) 4.4 0.3 60    
assign (resid 5 and name H8 and segid A) (resid 5 and name H2'' and segid A) 3.5 0.4 60    
assign (resid 5 and name H8 and segid B) (resid 5 and name H2'' and segid B) 3.5 0.4 60    
assign (resid 5 and name H1' and segid A) (resid 6 and name H4' and segid A) 4.7 0 60    
assign (resid 5 and name H1' and segid B) (resid 6 and name H4' and segid B) 4.7 0 60    
assign (resid 5 and name H1' and segid A) (resid 6 and name H6 and segid A) 4.2 0 60    
assign (resid 5 and name H1' and segid B) (resid 6 and name H6 and segid B) 4.2 0 60    
assign (resid 6 and name H4' and segid A) (resid 6 and name H2' and segid A) 3.6 0.3 60    
assign (resid 6 and name H4' and segid B) (resid 6 and name H2' and segid B) 3.6 0.3 60    
assign (resid 6 and name H6 and segid A) (resid 6 and name H5'' and segid A) 4.3 0.3 60    
assign (resid 6 and name H6 and segid B) (resid 6 and name H5'' and segid B) 4.3 0.3 60    
assign (resid 6 and name H6 and segid A) (resid 6 and name H5' and segid A) 4.3 0.3 60    
assign (resid 6 and name H6 and segid B) (resid 6 and name H5' and segid B) 4.3 0.3 60    
assign (resid 6 and name H1' and segid A) (resid 7 and name H6 and segid A) 4.7 0 60    
assign (resid 6 and name H1' and segid B) (resid 7 and name H6 and segid B) 4.7 0 60    
assign (resid 6 and name H2'' and segid A) (resid 7 and name H6 and segid A) 3.16 0 60    
assign (resid 6 and name H2'' and segid B) (resid 7 and name H6 and segid B) 3.16 0 60    
assign (resid 6 and name H2'' and segid A) (resid 7 and name C5A and segid A) 4.2 0 60    
assign (resid 6 and name H2'' and segid B) (resid 7 and name C5A and segid B) 4.2 0 60    
assign (resid 6 and name H41 and segid A) (resid 7 and name H3 and segid B) 3.6 0 60    
assign (resid 6 and name H41 and segid B) (resid 7 and name H3 and segid A) 3.6 0 60    
assign (resid 6 and name H6 and segid A) (resid 7 and name H6 and segid A) 4.7 0 60    
assign (resid 6 and name H6 and segid B) (resid 7 and name H6 and segid B) 4.7 0 60    
assign (resid 7 and name H4' and segid A) (resid 7 and name H2' and segid A) 3.5 0.3 60    
assign (resid 7 and name H4' and segid B) (resid 7 and name H2' and segid B) 3.5 0.3 60    
assign (resid 7 and name H6 and segid A) (resid 7 and name H5' and segid A) 4 0 60    
assign (resid 7 and name H6 and segid B) (resid 7 and name H5' and segid B) 4 0 60    
assign (resid 7 and name H6 and segid A) (resid 7 and name H5'' and segid A) 4 0 60    
assign (resid 7 and name H6 and segid B) (resid 7 and name H5'' and segid B) 4 0 60    
assign (resid 7 and name H2' and segid A) (resid 8 and name H5' and segid A) 3.7 0 60    
assign (resid 7 and name H2' and segid B) (resid 8 and name H5' and segid B) 3.7 0 60    
assign (resid 7 and name H2' and segid A) (resid 8 and name H5'' and segid A) 3.8 0 60    
assign (resid 7 and name H2' and segid B) (resid 8 and name H5'' and segid B) 3.8 0 60    
assign (resid 7 and name H2'' and segid A) (resid 8 and name H5'' and segid A) 3.8 0 60    
assign (resid 7 and name H2'' and segid B) (resid 8 and name H5'' and segid B) 3.8 0 60    
assign (resid 7 and name H2'' and segid A) (resid 8 and name H6 and segid A) 4.2 0 60    
assign (resid 7 and name H2'' and segid B) (resid 8 and name H6 and segid B) 4.2 0 60    
assign (resid 8 and name H4' and segid A) (resid 8 and name H2' and segid A) 3.5 0.35 60    
assign (resid 8 and name H4' and segid B) (resid 8 and name H2' and segid B) 3.5 0.35 60    
assign (resid 8 and name H5' and segid A) (resid 8 and name H3' and segid A) 3.6 0 60    
assign (resid 8 and name H5' and segid B) (resid 8 and name H3' and segid B) 3.6 0 60    
assign (resid 8 and name H6 and segid A) (resid 8 and name H5' and segid A) 4.4 0.3 60    
assign (resid 8 and name H6 and segid B) (resid 8 and name H5' and segid B) 4.4 0.3 60    
assign (resid 8 and name H6 and segid A) (resid 8 and name H5'' and segid A) 4.4 0.3 60    
assign (resid 8 and name H6 and segid B) (resid 8 and name H5'' and segid B) 4.4 0.3 60    
assign (resid 8 and name H1' and segid A) (resid 9 and name H4' and segid A) 4.7 0 60    
assign (resid 8 and name H1' and segid B) (resid 9 and name H4' and segid B) 4.7 0 60    
assign (resid 8 and name H2' and segid A) (resid 9 and name H5'' and segid A) 3.6 0 60    
assign (resid 8 and name H2' and segid B) (resid 9 and name H5'' and segid B) 3.6 0 60    
assign (resid 8 and name H2' and segid A) (resid 9 and name H5' and segid A) 3.1 0 60    
assign (resid 8 and name H2' and segid B) (resid 9 and name H5' and segid B) 3.1 0 60    
assign (resid 8 and name H2'' and segid A) (resid 9 and name H5'' and segid A) 3.3 0 60    
assign (resid 8 and name H2'' and segid B) (resid 9 and name H5'' and segid B) 3.3 0 60    
assign (resid 9 and name H4' and segid A) (resid 9 and name H2' and segid A) 3.4 0.4 60    
assign (resid 9 and name H4' and segid B) (resid 9 and name H2' and segid B) 3.4 0.4 60    
assign (resid 9 and name H5' and segid A) (resid 9 and name H3' and segid A) 3.6 0 60    
assign (resid 9 and name H5' and segid B) (resid 9 and name H3' and segid B) 3.6 0 60    
assign (resid 9 and name H5'' and segid A) (resid 9 and name H2' and segid A) 3.7 0 60    
assign (resid 9 and name H5'' and segid B) (resid 9 and name H2' and segid B) 3.7 0 60    
assign (resid 9 and name H5'' and segid A) (resid 9 and name H2'' and segid A) 3.7 0 60    
assign (resid 9 and name H5'' and segid B) (resid 9 and name H2'' and segid B) 3.7 0 60    

!AMBIGUOUS DISTANCE RESTRAINTS
assign (resid 1 and name C5A and segid A) (resid 8 and name N3 and (segid B or segid A)) 4.7 2 1
assign (resid 1 and name H2'' and segid A) (resid 8 and name N3 and (segid B or segid A)) 4.7 0.5 40
assign (resid 1 and name H41 and segid A) (resid 8 and name N3 and (segid B or segid A)) 3.7 1.9 0
assign (resid 1 and name N3 and segid A) (resid 8 and name H42 and (segid B or segid A)) 3.7 1.9 0.5
assign (resid 1 and name N3 and segid A) (resid 8 and name H2' and (segid B or segid A)) 4.7 0.5 40
assign (resid 1 and name N3 and segid A) (resid 8 and name H2' and (segid B or segid A)) 4.7 0.5 40
assign (resid 1 and name N3 and segid A) (resid 9 and name H41 and (segid B or segid A)) 4.7 2 49
assign (resid 1 and name N3 and segid A) (resid 9 and name H42 and (segid B or segid A)) 3.7 1.9 0.5
assign (resid 2 and name H41 and segid A) (resid 7 and name H3 and (segid B or segid A)) 4.2 0 40
assign (resid 2 and name N3 and segid A) (resid 7 and name H3 and (segid B or segid A)) 3.7 1.4 0.5
assign (resid 2 and name N3 and segid A) (resid 7 and name H2'' and (segid B or segid A)) 4.7 0.5 40
assign (resid 2 and name N3 and segid A) (resid 7 and name H2' and (segid B or segid A)) 3.7 1.9 0.5
assign (resid 2 and name N3 and segid A) (resid 7 and name C5A and (segid B or segid A)) 4.7 0.5 40
assign (resid 2 and name N3 and segid A) (resid 7 and name H3 and (segid B or segid A)) 3.7 1.4 0.5
assign (resid 2 and name H41 and segid A) (resid 8 and name N3 and (segid B or segid A)) 4.7 0.5 40
assign (resid 2 and name H5 and segid A) (resid 8 and name N3 and (segid B or segid A)) 3.7 1.9 0.5
assign (resid 2 and name N3 and segid A) (resid 8 and name N3 and (segid B or segid A)) 4.7 2 1
assign (resid 2 and name N3 and segid A) (resid 8 and name N3 and (segid B or segid A)) 4.7 2 1
assign (resid 2 and name N3 and segid A) (resid 8 and name H41 and (segid B or segid A)) 4.7 0.5 40
assign (resid 7 and name H3 and segid A) (resid 2 and (name H1' or name H5) and segid A) 4.7 1.5 0


  Entry H atom name         Submitted Coord H atom name
    1   1HN4  MCY   1          1NH4      CYT   1  -8.271  -2.051  -2.408
    2   2HN4  MCY   1          2NH4      CYT   1  -8.573  -1.629  -0.739
    3    H6   MCY   1           H6       CYT   1  -8.040   1.961  -4.614
    4   1H5A  MCY   1          1H5A      CYT   1  -7.781  -1.641  -4.018
    5   2H5A  MCY   1          2H5A      CYT   1  -7.472  -0.336  -5.188
    6   3H5A  MCY   1          3H5A      CYT   1  -9.141  -0.859  -4.856
    7    H1*  MCY   1           H1*      CYT   1  -8.537   4.550  -1.991
    8   1H2*  MCY   1          1H2*      CYT   1  -6.212   3.471  -3.553
    9   2H2*  MCY   1          2H2*      CYT   1  -6.244   4.699  -2.256
   10    H3*  MCY   1           H3*      CYT   1  -6.163   5.154  -5.051
   11    H4*  MCY   1           H4*      CYT   1  -8.680   6.441  -4.229
   12   1H5*  MCY   1          1H5*      CYT   1  -9.357   5.917  -6.423
   13   2H5*  MCY   1          2H5*      CYT   1  -7.604   6.157  -6.571
   14    H5T  MCY   1           H5T      CYT   1  -8.597   4.215  -7.574
   15   1H5*    C   2          1H5*        C   2  -2.424   7.718  -4.717
   16   2H5*    C   2          2H5*        C   2  -2.141   5.990  -5.017
   17    H4*    C   2           H4*        C   2  -3.093   7.287  -2.439
   18    H3*    C   2           H3*        C   2  -0.600   5.880  -3.337
   19    H1*    C   2           H1*        C   2  -3.133   5.021  -0.520
   20   1H4     C   2          2H4         C   2  -1.677  -1.257  -0.933
   21   2H4     C   2          1H4         C   2  -2.018  -1.142  -2.659
   22    H5     C   2           H5         C   2  -2.721   0.828  -3.698
   23    H6     C   2           H6         C   2  -2.917   3.253  -3.564
   24   2H2*    C   2          1H2*        C   2  -1.204   6.056  -0.465
   25   1H2*    C   2          2H2*        C   2  -0.396   4.744  -1.351
   26   1H5*    T   3          1H5*        T   3   2.207   5.945  -1.581
   27   2H5*    T   3          2H5*        T   3   2.659   7.665  -1.559
   28    H4*    T   3           H4*        T   3   4.660   6.399  -1.923
   29    H3*    T   3           H3*        T   3   3.713   8.269  -3.804
   30   1H2*    T   3          1H2*        T   3   3.568   7.009  -5.657
   31   2H2*    T   3          2H2*        T   3   5.345   6.901  -5.616
   32    H1*    T   3           H1*        T   3   5.304   4.772  -4.856
   33    H3     T   3           H3         T   3   3.086   1.593  -7.090
   34   1H5M    T   3          1H5M        T   3  -0.859   4.472  -6.481
   35   2H5M    T   3          2H5M        T   3  -0.292   4.768  -8.142
   36   3H5M    T   3          3H5M        T   3  -0.052   6.005  -6.886
   37    H6     T   3           H6         T   3   1.877   6.024  -5.670
   38   1H5*    C   4          1H5*        C   4   5.506   8.349   0.706
   39   2H5*    C   4          2H5*        C   4   7.271   8.445   0.563
   40    H4*    C   4           H4*        C   4   5.886   6.628   2.113
   41    H3*    C   4           H3*        C   4   8.634   7.089   1.289
   42    H1*    C   4           H1*        C   4   6.672   3.794   1.754
   43   1H4     C   4          2H4         C   4   7.466  -0.537  -2.784
   44   2H4     C   4          1H4         C   4   7.624   0.689  -4.028
   45    H5     C   4           H5         C   4   7.749   3.053  -3.529
   46    H6     C   4           H6         C   4   7.363   4.736  -1.780
   47   1H2*    C   4          1H2*        C   4   8.981   5.064   0.300
   48   2H2*    C   4          2H2*        C   4   8.905   4.390   1.955
   49   1H5*    A   5          1H5*        A   5   9.221   6.106   6.199
   50   2H5*    A   5          2H5*        A   5  10.988   5.998   6.044
   51    H4*    A   5           H4*        A   5   8.837   4.416   4.594
   52    H3*    A   5           H3*        A   5  10.797   3.752   6.647
   53    H1*    A   5           H1*        A   5  10.551   2.585   2.984
   54    H8     A   5           H8         A   5  13.969   4.165   3.942
   55   1H6     A   5          1H6         A   5  15.650   2.733  -1.801
   56   2H6     A   5          2H6         A   5  16.194   3.368  -0.265
   57    H2     A   5           H2         A   5  11.285   1.752  -1.318
   58   1H2*    A   5          1H2*        A   5  12.469   3.099   5.243
   59   2H2*    A   5          2H2*        A   5  11.426   1.685   4.922
   60   1H5*    C   6          1H5*        C   6   6.953   4.751   6.403
   61   2H5*    C   6          2H5*        C   6   5.656   4.007   7.357
   62    H4*    C   6           H4*        C   6   5.207   5.149   4.995
   63    H3*    C   6           H3*        C   6   3.986   2.677   6.206
   64    H1*    C   6           H1*        C   6   4.401   3.482   2.434
   65   1H4     C   6          2H4         C   6   4.238  -2.644   0.916
   66   2H4     C   6          1H4         C   6   4.345  -3.147   2.585
   67    H5     C   6           H5         C   6   4.750  -1.565   4.401
   68    H6     C   6           H6         C   6   4.802   0.801   5.016
   69   1H2*    C   6          1H2*        C   6   2.705   2.294   4.354
   70   2H2*    C   6          2H2*        C   6   2.750   4.017   3.845
   71   1H5*    T   7          1H5*        T   7   0.325   6.000   7.084
   72   2H5*    T   7          2H5*        T   7  -1.144   5.023   6.912
   73    H4*    T   7           H4*        T   7  -0.089   6.653   4.975
   74    H3*    T   7           H3*        T   7  -1.897   4.259   4.875
   75   1H2*    T   7          1H2*        T   7  -1.688   3.952   2.590
   76   2H2*    T   7          2H2*        T   7  -1.424   5.726   2.324
   77    H1*    T   7           H1*        T   7   0.804   5.300   2.220
   78    H3     T   7           H3         T   7   0.639   1.589  -0.184
   79   1H5M    T   7          1H5M        T   7  -0.121  -0.682   4.153
   80   2H5M    T   7          2H5M        T   7   0.992   0.338   5.097
   81   3H5M    T   7          3H5M        T   7   1.632  -0.767   3.857
   82    H6     T   7           H6         T   7   0.379   2.484   4.522
   83   1H5*    C   8          1H5*        C   8  -3.464   7.107   2.621
   84   2H5*    C   8          2H5*        C   8  -4.688   8.386   2.641
   85    H4*    C   8           H4*        C   8  -5.558   7.152   0.923
   86    H3*    C   8           H3*        C   8  -6.592   5.793   3.428
   87    H1*    C   8           H1*        C   8  -5.860   4.309  -0.081
   88   1H4     C   8          2H4         C   8  -5.250  -1.540   2.288
   89   2H4     C   8          1H4         C   8  -5.112  -0.939   3.929
   90    H5     C   8           H5         C   8  -5.105   1.434   4.462
   91    H6     C   8           H6         C   8  -5.328   3.679   3.548
   92   1H2*    C   8          1H2*        C   8  -7.580   4.161   2.201
   93   2H2*    C   8          2H2*        C   8  -7.774   5.185   0.734
   94   1H5*    C   9          1H5*        C   9  -8.538   6.626  -1.541
   95   2H5*    C   9          2H5*        C   9  -9.459   7.884  -0.695
   96    H4*    C   9           H4*        C   9 -10.800   6.618  -2.406
   97    H3*    C   9           H3*        C   9 -11.552   6.657   0.503
   98    H1*    C   9           H1*        C   9 -12.231   3.695  -1.950
   99   1H4     C   9          2H4         C   9 -11.027  -0.419   2.739
  100   2H4     C   9          1H4         C   9 -10.966   0.871   3.934
  101    H5     C   9           H5         C   9 -11.181   3.237   3.337
  102    H6     C   9           H6         C   9 -11.502   4.803   1.500
  103    H3T    C   9           H3T        C   9 -13.283   7.868  -0.443
  104   1H2*    C   9          1H2*        C   9 -13.214   5.123   0.266
  105   2H2*    C   9          2H2*        C   9 -13.480   5.527  -1.455
  106   1HN4  MCY   1          1NH4      CYT   1  -8.261   2.044   2.396
  107   2HN4  MCY   1          2NH4      CYT   1  -8.563   1.619   0.727
  108    H6   MCY   1           H6       CYT   1  -8.033  -1.965   4.607
  109   1H5A  MCY   1          1H5A      CYT   1  -7.776   1.636   4.006
  110   2H5A  MCY   1          2H5A      CYT   1  -7.464   0.333   5.176
  111   3H5A  MCY   1          3H5A      CYT   1  -9.134   0.852   4.846
  112    H1*  MCY   1           H1*      CYT   1  -8.536  -4.559   1.990
  113   1H2*  MCY   1          1H2*      CYT   1  -6.211  -3.476   3.550
  114   2H2*  MCY   1          2H2*      CYT   1  -6.243  -4.706   2.255
  115    H3*  MCY   1           H3*      CYT   1  -6.160  -5.157   5.049
  116    H4*  MCY   1           H4*      CYT   1  -8.677  -6.445   4.234
  117   1H5*  MCY   1          1H5*      CYT   1  -9.350  -5.917   6.428
  118   2H5*  MCY   1          2H5*      CYT   1  -7.596  -6.153   6.573
  119    H5T  MCY   1           H5T      CYT   1  -8.587  -4.210   7.573
  120   1H5*    C   2          1H5*        C   2  -2.413  -7.704   4.704
  121   2H5*    C   2          2H5*        C   2  -2.129  -5.975   5.000
  122    H4*    C   2           H4*        C   2  -3.076  -7.277   2.422
  123    H3*    C   2           H3*        C   2  -0.583  -5.873   3.325
  124    H1*    C   2           H1*        C   2  -3.103  -5.004   0.501
  125   1H4     C   2          2H4         C   2  -1.616   1.291   1.037
  126   2H4     C   2          1H4         C   2  -2.023   1.122   2.732
  127    H5     C   2           H5         C   2  -2.738  -0.844   3.703
  128    H6     C   2           H6         C   2  -2.938  -3.261   3.541
  129   2H2*    C   2          1H2*        C   2  -1.182  -6.052   0.452
  130   1H2*    C   2          2H2*        C   2  -0.369  -4.743   1.337
  131   1H5*    T   3          1H5*        T   3   2.224  -5.937   1.581
  132   2H5*    T   3          2H5*        T   3   2.677  -7.656   1.562
  133    H4*    T   3           H4*        T   3   4.675  -6.386   1.929
  134    H3*    T   3           H3*        T   3   3.728  -8.258   3.807
  135   1H2*    T   3          1H2*        T   3   3.580  -7.000   5.661
  136   2H2*    T   3          2H2*        T   3   5.357  -6.889   5.621
  137    H1*    T   3           H1*        T   3   5.313  -4.760   4.863
  138    H3     T   3           H3         T   3   3.087  -1.584   7.093
  139   1H5M    T   3          1H5M        T   3  -0.851  -4.475   6.487
  140   2H5M    T   3          2H5M        T   3  -0.282  -4.765   8.149
  141   3H5M    T   3          3H5M        T   3  -0.038  -6.005   6.895
  142    H6     T   3           H6         T   3   1.889  -6.018   5.674
  143   1H5*    C   4          1H5*        C   4   5.520  -8.344  -0.700
  144   2H5*    C   4          2H5*        C   4   7.285  -8.437  -0.557
  145    H4*    C   4           H4*        C   4   5.899  -6.625  -2.111
  146    H3*    C   4           H3*        C   4   8.646  -7.081  -1.285
  147    H1*    C   4           H1*        C   4   6.680  -3.789  -1.755
  148   1H4     C   4          2H4         C   4   7.462   0.544   2.784
  149   2H4     C   4          1H4         C   4   7.624  -0.681   4.027
  150    H5     C   4           H5         C   4   7.756  -3.044   3.528
  151    H6     C   4           H6         C   4   7.378  -4.728   1.778
  152   1H2*    C   4          1H2*        C   4   8.990  -5.054  -0.299
  153   2H2*    C   4          2H2*        C   4   8.914  -4.382  -1.955
  154   1H5*    A   5          1H5*        A   5   9.233  -6.104  -6.197
  155   2H5*    A   5          2H5*        A   5  11.000  -5.992  -6.042
  156    H4*    A   5           H4*        A   5   8.846  -4.412  -4.595
  157    H3*    A   5           H3*        A   5  10.806  -3.747  -6.647
  158    H1*    A   5           H1*        A   5  10.556  -2.576  -2.985
  159    H8     A   5           H8         A   5  13.977  -4.152  -3.939
  160   1H6     A   5          1H6         A   5  15.652  -2.710   1.804
  161   2H6     A   5          2H6         A   5  16.198  -3.348   0.269
  162    H2     A   5           H2         A   5  11.286  -1.736   1.316
  163   1H2*    A   5          1H2*        A   5  12.476  -3.090  -5.242
  164   2H2*    A   5          2H2*        A   5  11.431  -1.677  -4.924
  165   1H5*    C   6          1H5*        C   6   6.963  -4.752  -6.402
  166   2H5*    C   6          2H5*        C   6   5.667  -4.014  -7.361
  167    H4*    C   6           H4*        C   6   5.215  -5.149  -4.996
  168    H3*    C   6           H3*        C   6   3.992  -2.678  -6.212
  169    H1*    C   6           H1*        C   6   4.412  -3.482  -2.438
  170   1H4     C   6          2H4         C   6   4.219   2.643  -0.919
  171   2H4     C   6          1H4         C   6   4.334   3.148  -2.587
  172    H5     C   6           H5         C   6   4.757   1.567  -4.403
  173    H6     C   6           H6         C   6   4.817  -0.799  -5.018
  174   1H2*    C   6          1H2*        C   6   2.714  -2.294  -4.359
  175   2H2*    C   6          2H2*        C   6   2.760  -4.016  -3.848
  176   1H5*    T   7          1H5*        T   7   0.326  -6.010  -7.091
  177   2H5*    T   7          2H5*        T   7  -1.143  -5.034  -6.912
  178    H4*    T   7           H4*        T   7  -0.084  -6.664  -4.980
  179    H3*    T   7           H3*        T   7  -1.884  -4.265  -4.868
  180   1H2*    T   7          1H2*        T   7  -1.657  -3.954  -2.584
  181   2H2*    T   7          2H2*        T   7  -1.399  -5.729  -2.319
  182    H1*    T   7           H1*        T   7   0.833  -5.314  -2.229
  183    H3     T   7           H3         T   7   0.682  -1.586   0.179
  184   1H5M    T   7          1H5M        T   7  -0.109   0.665  -4.160
  185   2H5M    T   7          2H5M        T   7   1.008  -0.345  -5.110
  186   3H5M    T   7          3H5M        T   7   1.644   0.759  -3.869
  187    H6     T   7           H6         T   7   0.391  -2.498  -4.530
  188   1H5*    C   8          1H5*        C   8  -3.452  -7.105  -2.612
  189   2H5*    C   8          2H5*        C   8  -4.671  -8.389  -2.632
  190    H4*    C   8           H4*        C   8  -5.549  -7.157  -0.917
  191    H3*    C   8           H3*        C   8  -6.582  -5.800  -3.423
  192    H1*    C   8           H1*        C   8  -5.860  -4.315   0.087
  193   1H4     C   8          2H4         C   8  -5.272   1.537  -2.288
  194   2H4     C   8          1H4         C   8  -5.125   0.933  -3.927
  195    H5     C   8           H5         C   8  -5.098  -1.440  -4.455
  196    H6     C   8           H6         C   8  -5.313  -3.684  -3.538
  197   1H2*    C   8          1H2*        C   8  -7.577  -4.172  -2.196
  198   2H2*    C   8          2H2*        C   8  -7.770  -5.197  -0.730
  199   1H5*    C   9          1H5*        C   9  -8.527  -6.636   1.543
  200   2H5*    C   9          2H5*        C   9  -9.447  -7.895   0.699
  201    H4*    C   9           H4*        C   9 -10.790  -6.629   2.407
  202    H3*    C   9           H3*        C   9 -11.540  -6.671  -0.503
  203    H1*    C   9           H1*        C   9 -12.226  -3.709   1.950
  204   1H4     C   9          2H4         C   9 -11.030   0.407  -2.742
  205   2H4     C   9          1H4         C   9 -10.964  -0.884  -3.935
  206    H5     C   9           H5         C   9 -11.173  -3.250  -3.337
  207    H6     C   9           H6         C   9 -11.490  -4.816  -1.500
  208   1H2*    C   9          1H2*        C   9 -13.205  -5.139  -0.268
  209   2H2*    C   9          2H2*        C   9 -13.471  -5.543   1.453