*HEADER    PROTEIN BINDING                         08-SEP-00   1GD3              
*TITLE     REFINED SOLUTION STRUCTURE OF HUMAN CYSTATIN A                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYSTATIN A;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    CYSTATIN A, THIOL PROTEASE INHIBITOR                                  
*EXPDTA    NMR                                                                   
*AUTHOR    N.SHIMBA, E.KARIYA, S.TATE, H.KAJI, M.KAINOSHO                        
*REVDAT   1   08-SEP-01 1GD3    0                                                

! residue P3  
assign (resi    3  and name HA   ) (resi    4  and name HN   ) 2.7 0.9 0.2 
assign (resi    3  and name HB2  ) (resi    4  and name HN   ) 4.0 2.2 1.0 
assign (resi    3  and name HB1  ) (resi    4  and name HN   ) 4.0 2.2 1.0 
assign (resi    3  and name HB#  ) (resi    4  and name HN   ) 4.0 3.2 2.0 ! P3    

! residue V4  
assign (resi    4  and name HN   ) (resi    5  and name HN   ) 3.0 1.2 0.5 
assign (resi    4  and name HN   ) (resi    5  and name HA#  ) 4.0 3.2 2.0 ! G5    

! residue G5  
assign (resi    5  and name HN   ) (resi    5  and name HA2  ) 2.7 0.9 0.2 
assign (resi    5  and name HN   ) (resi    5  and name HA1  ) 2.7 0.9 0.2 
assign (resi    5  and name HN   ) (resi    5  and name HA#  ) 2.7 1.9 1.2 ! G5    
assign (resi    5  and name HA2  ) (resi    6  and name HN   ) 2.7 0.9 0.2 
assign (resi    5  and name HA1  ) (resi    6  and name HN   ) 2.7 0.9 0.2 
assign (resi    5  and name HA#  ) (resi    6  and name HN   ) 2.7 1.9 1.2 ! G5    
assign (resi    5  and name HA#  ) (resi   46  and name HE#  ) 5.0 4.2 3.0 ! G5    

! residue L6  
assign (resi    6  and name HN   ) (resi    6  and name HB2  ) 2.7 0.9 0.2 
assign (resi    6  and name HN   ) (resi    6  and name HB1  ) 3.0 1.2 0.5 
assign (resi    6  and name HN   ) (resi    6  and name HG   ) 2.7 0.9 0.2 
assign (resi    6  and name HN   ) (resi    6  and name HD1# ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HN   ) (resi    6  and name HD2# ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HN   ) (resi    6  and name HD*  ) 4.0 4.7 3.5 ! L6    
assign (resi    6  and name HN   ) (resi    7  and name HN   ) 4.0 2.2 1.0 
assign (resi    6  and name HN   ) (resi   46  and name HE#  ) 5.0 3.2 2.0 
assign (resi    6  and name HA   ) (resi    6  and name HB1  ) 2.7 0.9 0.2 
assign (resi    6  and name HA   ) (resi    7  and name HN   ) 2.7 0.9 0.2 
assign (resi    6  and name HB2  ) (resi    7  and name HN   ) 3.0 1.2 0.5 
assign (resi    6  and name HB2  ) (resi   45  and name HN   ) 5.0 3.2 2.0 
assign (resi    6  and name HB1  ) (resi    7  and name HN   ) 3.0 1.2 0.5 
assign (resi    6  and name HG   ) (resi    7  and name HN   ) 4.0 2.2 1.0 
assign (resi    6  and name HD1# ) (resi    7  and name HN   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD1# ) (resi   46  and name HE21 ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD1# ) (resi   46  and name HE22 ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD1# ) (resi   54  and name HD#  ) 5.0 6.7 5.5 ! L6     Y54  
assign (resi    6  and name HD1# ) (resi   54  and name HE#  ) 5.0 7.7 6.5 ! L6     Y54  
assign (resi    6  and name HD1# ) (resi   97  and name HN   ) 4.0 3.7 2.5 ! L6    
assign (resi    6  and name HD1# ) (resi   98  and name HN   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD2# ) (resi    7  and name HN   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD2# ) (resi   46  and name HE21 ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD2# ) (resi   46  and name HE22 ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD2# ) (resi   54  and name HD#  ) 5.0 6.7 5.5 ! L6     Y54  
assign (resi    6  and name HD2# ) (resi   54  and name HE#  ) 5.0 7.7 6.5 ! L6     Y54  
assign (resi    6  and name HD2# ) (resi   97  and name HN   ) 4.0 3.7 2.5 ! L6    
assign (resi    6  and name HD2# ) (resi   98  and name HN   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD*  ) (resi    7  and name HN   ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   45  and name HN   ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   46  and name HE#  ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   52  and name HD#  ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   54  and name HE#  ) 5.0 8.7 7.5 ! L6     Y54  
assign (resi    6  and name HD*  ) (resi   96  and name HA   ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   97  and name HN   ) 4.0 4.7 3.5 ! L6    
assign (resi    6  and name HD*  ) (resi   98  and name HN   ) 5.0 5.7 4.5 ! L6    

! residue S7  
assign (resi    7  and name HN   ) (resi    7  and name HB2  ) 2.7 0.9 0.2 
assign (resi    7  and name HN   ) (resi    7  and name HB1  ) 2.7 0.9 0.2 
assign (resi    7  and name HN   ) (resi   44  and name HB2  ) 4.0 2.2 1.0 
assign (resi    7  and name HN   ) (resi   44  and name HB1  ) 4.0 2.2 1.0 
assign (resi    7  and name HN   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! K44   
assign (resi    7  and name HN   ) (resi   46  and name HA   ) 4.0 2.2 1.0 
assign (resi    7  and name HN   ) (resi   46  and name HG#  ) 5.0 4.2 3.0 ! Q46   
assign (resi    7  and name HN   ) (resi   47  and name HG*  ) 5.0 5.7 4.5 ! V47   
assign (resi    7  and name HA   ) (resi    7  and name HB2  ) 2.7 0.9 0.2 
assign (resi    7  and name HA   ) (resi    8  and name HN   ) 2.7 0.9 0.2 
assign (resi    7  and name HB2  ) (resi    8  and name HN   ) 2.7 0.9 0.2 
assign (resi    7  and name HB1  ) (resi    8  and name HN   ) 2.7 0.9 0.2 
assign (resi    7  and name HB1  ) (resi   45  and name HN   ) 4.0 2.2 1.0 
assign (resi    7  and name HB1  ) (resi   46  and name HE21 ) 5.0 3.2 2.0 
assign (resi    7  and name HB1  ) (resi   46  and name HE22 ) 5.0 3.2 2.0 
assign (resi    7  and name HB1  ) (resi   46  and name HE#  ) 5.0 3.2 2.0 

! residue E8  
assign (resi    8  and name HN   ) (resi    8  and name HA   ) 2.7 0.9 0.2 
assign (resi    8  and name HN   ) (resi    8  and name HB2  ) 2.7 0.9 0.2 
assign (resi    8  and name HN   ) (resi    8  and name HB1  ) 2.7 0.9 0.2 
assign (resi    8  and name HN   ) (resi    8  and name HG#  ) 4.0 3.2 2.0 ! E8    
assign (resi    8  and name HN   ) (resi   44  and name HE#  ) 5.0 4.2 3.0 ! K44   
assign (resi    8  and name HA   ) (resi    8  and name HB2  ) 2.7 0.9 0.2 
assign (resi    8  and name HA   ) (resi    8  and name HB1  ) 2.7 0.9 0.2 
assign (resi    8  and name HA   ) (resi    9  and name HN   ) 2.7 0.9 0.2 
assign (resi    8  and name HA   ) (resi    9  and name HB#  ) 5.0 4.7 3.5 ! A9    
assign (resi    8  and name HA   ) (resi   44  and name HE2  ) 5.0 3.2 2.0 
assign (resi    8  and name HA   ) (resi   44  and name HE1  ) 5.0 3.2 2.0 
assign (resi    8  and name HA   ) (resi   44  and name HE#  ) 4.0 3.2 2.0 ! K44   
assign (resi    8  and name HB2  ) (resi    9  and name HN   ) 2.7 0.9 0.2 
assign (resi    8  and name HB1  ) (resi    9  and name HN   ) 2.7 0.9 0.2 
assign (resi    8  and name HB1  ) (resi   10  and name HN   ) 4.0 2.2 1.0 
assign (resi    8  and name HG#  ) (resi    9  and name HN   ) 5.0 4.2 3.0 ! E8    

! residue A9  
assign (resi    9  and name HN   ) (resi    9  and name HA   ) 2.7 0.9 0.2 
assign (resi    9  and name HN   ) (resi    9  and name HB#  ) 3.0 2.7 2.0 ! A9    
assign (resi    9  and name HN   ) (resi   10  and name HN   ) 4.0 2.2 1.0 
assign (resi    9  and name HN   ) (resi   10  and name HB#  ) 4.0 3.2 2.0 ! K10   
assign (resi    9  and name HN   ) (resi   10  and name HG#  ) 5.0 4.2 3.0 ! K10   
assign (resi    9  and name HN   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! K44   
assign (resi    9  and name HN   ) (resi   44  and name HE2  ) 4.0 2.2 1.0 
assign (resi    9  and name HN   ) (resi   44  and name HE1  ) 4.0 2.2 1.0 
assign (resi    9  and name HN   ) (resi   44  and name HE#  ) 4.0 3.2 2.0 ! K44   
assign (resi    9  and name HA   ) (resi   10  and name HN   ) 2.7 0.9 0.2 
assign (resi    9  and name HA   ) (resi   10  and name HB#  ) 4.0 3.2 2.0 ! K10   
assign (resi    9  and name HA   ) (resi   43  and name HN   ) 4.0 2.2 1.0 
assign (resi    9  and name HA   ) (resi   44  and name HB2  ) 4.0 2.2 1.0 
assign (resi    9  and name HA   ) (resi   44  and name HG#  ) 4.0 3.2 2.0 ! K44   
assign (resi    9  and name HA   ) (resi   44  and name HE2  ) 5.0 3.2 2.0 
assign (resi    9  and name HA   ) (resi   44  and name HE1  ) 5.0 3.2 2.0 
assign (resi    9  and name HA   ) (resi   44  and name HE#  ) 5.0 4.2 3.0 ! K44   
assign (resi    9  and name HB#  ) (resi   10  and name HN   ) 4.0 3.7 2.5 ! A9    
assign (resi    9  and name HB#  ) (resi   42  and name HE21 ) 4.0 3.7 2.5 ! A9    
assign (resi    9  and name HB#  ) (resi   42  and name HE22 ) 4.0 3.7 2.5 ! A9    
assign (resi    9  and name HB#  ) (resi   43  and name HN   ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HE2  ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HE1  ) 5.0 4.7 3.5 ! A9    

! residue K10 
assign (resi   10  and name HN   ) (resi   10  and name HB2  ) 3.0 1.2 0.5 
assign (resi   10  and name HN   ) (resi   10  and name HB1  ) 3.0 1.2 0.5 
assign (resi   10  and name HN   ) (resi   10  and name HB#  ) 2.7 1.9 1.2 ! K10   
assign (resi   10  and name HN   ) (resi   10  and name HG2  ) 4.0 2.2 1.0 
assign (resi   10  and name HN   ) (resi   10  and name HG1  ) 4.0 2.2 1.0 
assign (resi   10  and name HN   ) (resi   10  and name HG#  ) 4.0 3.2 2.0 ! K10   
assign (resi   10  and name HN   ) (resi   10  and name HD2  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   10  and name HD1  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   10  and name HE#  ) 5.0 4.2 3.0 ! K10   
assign (resi   10  and name HN   ) (resi   11  and name HD2  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   11  and name HD1  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   42  and name HA   ) 4.0 2.2 1.0 
assign (resi   10  and name HN   ) (resi   42  and name HB2  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   42  and name HB1  ) 5.0 3.2 2.0 
assign (resi   10  and name HN   ) (resi   42  and name HB#  ) 4.0 3.2 2.0 ! Q42   
assign (resi   10  and name HN   ) (resi   43  and name HN   ) 2.7 0.9 0.2 
assign (resi   10  and name HN   ) (resi   43  and name HD#  ) 5.0 5.2 4.0 ! Y43   
assign (resi   10  and name HN   ) (resi   44  and name HA   ) 4.0 2.2 1.0 
assign (resi   10  and name HN   ) (resi   44  and name HG#  ) 4.0 3.2 2.0 ! K44   
assign (resi   10  and name HA   ) (resi   10  and name HG2  ) 4.0 2.2 1.0 
assign (resi   10  and name HA   ) (resi   10  and name HG1  ) 4.0 2.2 1.0 
assign (resi   10  and name HA   ) (resi   10  and name HD2  ) 5.0 3.2 2.0 
assign (resi   10  and name HA   ) (resi   10  and name HD1  ) 5.0 3.2 2.0 
assign (resi   10  and name HA   ) (resi   11  and name HG#  ) 5.0 4.2 3.0 ! P11   
assign (resi   10  and name HA   ) (resi   11  and name HD2  ) 3.0 1.2 0.5 
assign (resi   10  and name HA   ) (resi   11  and name HD1  ) 3.0 1.2 0.5 
assign (resi   10  and name HA   ) (resi   11  and name HD#  ) 2.7 1.9 1.2 ! P11   
assign (resi   10  and name HB2  ) (resi   11  and name HD2  ) 5.0 3.2 2.0 
assign (resi   10  and name HB2  ) (resi   11  and name HD1  ) 5.0 3.2 2.0 
assign (resi   10  and name HB2  ) (resi   43  and name HN   ) 5.0 3.2 2.0 
assign (resi   10  and name HB1  ) (resi   11  and name HD2  ) 5.0 3.2 2.0 
assign (resi   10  and name HB1  ) (resi   11  and name HD1  ) 5.0 3.2 2.0 
assign (resi   10  and name HB1  ) (resi   43  and name HN   ) 5.0 3.2 2.0 
assign (resi   10  and name HB#  ) (resi   11  and name HD#  ) 5.0 5.2 4.0 ! K10    P11  
assign (resi   10  and name HB#  ) (resi   43  and name HN   ) 4.0 3.2 2.0 ! K10   
assign (resi   10  and name HB#  ) (resi   43  and name HD#  ) 5.0 6.2 5.0 ! K10    Y43  
assign (resi   10  and name HB#  ) (resi   43  and name HE#  ) 5.0 7.2 6.0 ! K10    Y43  

! residue P11 
assign (resi   11  and name HA   ) (resi   12  and name HN   ) 2.7 0.9 0.2 
assign (resi   11  and name HA   ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assign (resi   11  and name HA   ) (resi   42  and name HA   ) 2.7 0.9 0.2 
assign (resi   11  and name HA   ) (resi   43  and name HN   ) 4.0 2.2 1.0 
assign (resi   11  and name HB2  ) (resi   12  and name HN   ) 3.0 1.2 0.5 
assign (resi   11  and name HB1  ) (resi   12  and name HN   ) 3.0 1.2 0.5 
assign (resi   11  and name HG#  ) (resi   12  and name HN   ) 5.0 4.2 3.0 ! P11   
assign (resi   11  and name HD#  ) (resi   12  and name HN   ) 5.0 4.2 3.0 ! P11   
assign (resi   11  and name HD#  ) (resi   13  and name HN   ) 5.0 4.2 3.0 ! P11   

! residue A12 
assign (resi   12  and name HN   ) (resi   12  and name HB#  ) 3.0 2.7 2.0 ! A12   
assign (resi   12  and name HN   ) (resi   41  and name HA   ) 3.0 1.2 0.5 
assign (resi   12  and name HN   ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assign (resi   12  and name HN   ) (resi   42  and name HA   ) 2.7 0.9 0.2 
assign (resi   12  and name HN   ) (resi   42  and name HB#  ) 5.0 4.2 3.0 ! Q42   
assign (resi   12  and name HN   ) (resi   43  and name HN   ) 4.0 2.2 1.0 
assign (resi   12  and name HN   ) (resi   43  and name HD#  ) 5.0 5.2 4.0 ! Y43   
assign (resi   12  and name HA   ) (resi   13  and name HN   ) 2.7 0.9 0.2 
assign (resi   12  and name HA   ) (resi   13  and name HG2# ) 5.0 4.7 3.5 ! T13   
assign (resi   12  and name HA   ) (resi   16  and name HB   ) 3.0 1.2 0.5 
assign (resi   12  and name HA   ) (resi   16  and name HG12 ) 4.0 2.2 1.0 
assign (resi   12  and name HA   ) (resi   16  and name HG11 ) 4.0 2.2 1.0 
assign (resi   12  and name HA   ) (resi   16  and name HG1# ) 4.0 3.2 2.0 ! I16   
assign (resi   12  and name HA   ) (resi   43  and name HN   ) 4.0 2.2 1.0 
assign (resi   12  and name HA   ) (resi   43  and name HD#  ) 4.0 4.2 3.0 ! Y43   
assign (resi   12  and name HA   ) (resi   43  and name HE#  ) 4.0 5.2 4.0 ! Y43   
assign (resi   12  and name HB#  ) (resi   13  and name HN   ) 4.0 3.7 2.5 ! A12   
assign (resi   12  and name HB#  ) (resi   16  and name HN   ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   16  and name HB   ) 4.0 3.7 2.5 ! A12   
assign (resi   12  and name HB#  ) (resi   41  and name HA   ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   42  and name HA   ) 4.0 3.7 2.5 ! A12   
assign (resi   12  and name HB#  ) (resi   42  and name HG#  ) 5.0 5.7 4.5 ! A12    Q42  
assign (resi   12  and name HB#  ) (resi   43  and name HN   ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   43  and name HD#  ) 5.0 6.7 5.5 ! A12    Y43  

! residue T13 
assign (resi   13  and name HN   ) (resi   13  and name HB   ) 4.0 2.2 1.0 
assign (resi   13  and name HN   ) (resi   13  and name HG2# ) 4.0 3.7 2.5 ! T13   
assign (resi   13  and name HN   ) (resi   16  and name HN   ) 3.0 1.2 0.5 
assign (resi   13  and name HN   ) (resi   16  and name HB   ) 2.7 0.9 0.2 
assign (resi   13  and name HN   ) (resi   16  and name HG12 ) 3.0 1.2 0.5 
assign (resi   13  and name HN   ) (resi   16  and name HG11 ) 3.0 1.2 0.5 
assign (resi   13  and name HN   ) (resi   16  and name HG1# ) 3.0 2.2 1.5 ! I16   
assign (resi   13  and name HN   ) (resi   16  and name HD#  ) 5.0 3.2 2.0 
assign (resi   13  and name HN   ) (resi   17  and name HN   ) 4.0 2.2 1.0 
assign (resi   13  and name HN   ) (resi   17  and name HB#  ) 5.0 4.2 3.0 ! Q17   
assign (resi   13  and name HN   ) (resi   43  and name HD#  ) 5.0 5.2 4.0 ! Y43   
assign (resi   13  and name HN   ) (resi   43  and name HE#  ) 5.0 6.2 5.0 ! Y43   
assign (resi   13  and name HA   ) (resi   13  and name HB   ) 2.7 0.9 0.2 
assign (resi   13  and name HA   ) (resi   14  and name HG2  ) 5.0 3.2 2.0 
assign (resi   13  and name HA   ) (resi   14  and name HG1  ) 5.0 3.2 2.0 
assign (resi   13  and name HA   ) (resi   15  and name HN   ) 4.0 2.2 1.0 
assign (resi   13  and name HB   ) (resi   14  and name HD#  ) 4.0 3.2 2.0 ! P14   
assign (resi   13  and name HB   ) (resi   15  and name HN   ) 2.7 0.9 0.2 
assign (resi   13  and name HG2# ) (resi   15  and name HN   ) 5.0 4.7 3.5 ! T13   
assign (resi   13  and name HG2# ) (resi   43  and name HE#  ) 5.0 7.7 6.5 ! T13    Y43  

! residue P14 
assign (resi   14  and name HA   ) (resi   16  and name HN   ) 4.0 2.2 1.0 
assign (resi   14  and name HA   ) (resi   17  and name HN   ) 3.0 1.2 0.5 
assign (resi   14  and name HA   ) (resi   17  and name HB#  ) 4.0 3.2 2.0 ! Q17   
assign (resi   14  and name HB#  ) (resi   15  and name HN   ) 4.0 3.2 2.0 ! P14   
assign (resi   14  and name HD#  ) (resi   15  and name HN   ) 4.0 3.2 2.0 ! P14   

! residue E15 
assign (resi   15  and name HN   ) (resi   15  and name HA   ) 2.7 0.9 0.2 
assign (resi   15  and name HN   ) (resi   15  and name HB2  ) 2.7 0.9 0.2 
assign (resi   15  and name HN   ) (resi   15  and name HB1  ) 2.7 0.9 0.2 
assign (resi   15  and name HN   ) (resi   15  and name HG2  ) 4.0 2.2 1.0 
assign (resi   15  and name HN   ) (resi   15  and name HG1  ) 4.0 2.2 1.0 
assign (resi   15  and name HN   ) (resi   15  and name HG#  ) 4.0 3.2 2.0 ! E15   
assign (resi   15  and name HN   ) (resi   16  and name HN   ) 2.7 0.9 0.2 
assign (resi   15  and name HN   ) (resi   16  and name HG1# ) 5.0 4.2 3.0 ! I16   
assign (resi   15  and name HN   ) (resi   16  and name HD#  ) 5.0 3.2 2.0 
assign (resi   15  and name HN   ) (resi   17  and name HN   ) 4.0 2.2 1.0 
assign (resi   15  and name HA   ) (resi   15  and name HB1  ) 2.7 0.9 0.2 
assign (resi   15  and name HA   ) (resi   15  and name HG2  ) 4.0 2.2 1.0 
assign (resi   15  and name HA   ) (resi   15  and name HG1  ) 4.0 2.2 1.0 
assign (resi   15  and name HA   ) (resi   16  and name HN   ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   18  and name HN   ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   18  and name HB2  ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   18  and name HB1  ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   18  and name HG#  ) 5.0 4.2 3.0 ! E18   
assign (resi   15  and name HA   ) (resi   19  and name HN   ) 4.0 2.2 1.0 
assign (resi   15  and name HB2  ) (resi   16  and name HN   ) 3.0 1.2 0.5 
assign (resi   15  and name HB1  ) (resi   16  and name HN   ) 2.7 0.9 0.2 
assign (resi   15  and name HG2  ) (resi   16  and name HN   ) 4.0 2.2 1.0 
assign (resi   15  and name HG1  ) (resi   16  and name HN   ) 4.0 2.2 1.0 

! residue I16 
assign (resi   16  and name HN   ) (resi   16  and name HB   ) 2.7 0.9 0.2 
assign (resi   16  and name HN   ) (resi   16  and name HG12 ) 4.0 2.2 1.0 
assign (resi   16  and name HN   ) (resi   16  and name HG11 ) 4.0 2.2 1.0 
assign (resi   16  and name HN   ) (resi   16  and name HG1# ) 3.0 2.2 1.5 ! I16   
assign (resi   16  and name HN   ) (resi   16  and name HD#  ) 4.0 2.2 1.0 
assign (resi   16  and name HN   ) (resi   17  and name HN   ) 2.7 0.9 0.2 
assign (resi   16  and name HN   ) (resi   17  and name HA   ) 4.0 2.2 1.0 
assign (resi   16  and name HN   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assign (resi   16  and name HA   ) (resi   16  and name HD#  ) 4.0 2.2 1.0 
assign (resi   16  and name HA   ) (resi   17  and name HN   ) 3.0 1.2 0.5 
assign (resi   16  and name HA   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assign (resi   16  and name HA   ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   16  and name HA   ) (resi   19  and name HB   ) 3.0 1.2 0.5 
assign (resi   16  and name HA   ) (resi   19  and name HG12 ) 4.0 2.2 1.0 
assign (resi   16  and name HA   ) (resi   19  and name HG11 ) 4.0 2.2 1.0 
assign (resi   16  and name HA   ) (resi   19  and name HG1# ) 4.0 3.2 2.0 ! I19   
assign (resi   16  and name HA   ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   16  and name HB   ) (resi   17  and name HN   ) 2.7 0.9 0.2 
assign (resi   16  and name HB   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assign (resi   16  and name HG1# ) (resi   17  and name HN   ) 5.0 4.2 3.0 ! I16   
assign (resi   16  and name HD#  ) (resi   17  and name HN   ) 5.0 3.2 2.0 
assign (resi   16  and name HD#  ) (resi   18  and name HN   ) 5.0 3.2 2.0 

! residue Q17 
assign (resi   17  and name HN   ) (resi   17  and name HB#  ) 3.0 2.2 1.5 ! Q17   
assign (resi   17  and name HN   ) (resi   17  and name HG2  ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   17  and name HG1  ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   18  and name HB#  ) 4.0 3.2 2.0 ! E18   
assign (resi   17  and name HN   ) (resi   19  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   19  and name HB   ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   20  and name HG*  ) 5.0 5.7 4.5 ! V20   
assign (resi   17  and name HN   ) (resi   40  and name HB#  ) 4.0 3.7 2.5 ! A40   
assign (resi   17  and name HA   ) (resi   17  and name HE21 ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   17  and name HE22 ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   17  and name HE#  ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   18  and name HN   ) 3.0 1.2 0.5 
assign (resi   17  and name HA   ) (resi   19  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   20  and name HN   ) 3.0 1.2 0.5 
assign (resi   17  and name HA   ) (resi   20  and name HB   ) 2.7 0.9 0.2 
assign (resi   17  and name HA   ) (resi   20  and name HG1# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HA   ) (resi   20  and name HG2# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HA   ) (resi   20  and name HG*  ) 5.0 5.7 4.5 ! V20   
assign (resi   17  and name HA   ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   40  and name HB#  ) 4.0 3.7 2.5 ! A40   
assign (resi   17  and name HB#  ) (resi   17  and name HE21 ) 5.0 4.2 3.0 ! Q17   
assign (resi   17  and name HB#  ) (resi   17  and name HE22 ) 5.0 4.2 3.0 ! Q17   
assign (resi   17  and name HB#  ) (resi   18  and name HN   ) 4.0 3.2 2.0 ! Q17   
assign (resi   17  and name HB#  ) (resi   18  and name HA   ) 4.0 3.2 2.0 ! Q17   
assign (resi   17  and name HB#  ) (resi   20  and name HN   ) 5.0 4.2 3.0 ! Q17   
assign (resi   17  and name HB#  ) (resi   40  and name HB#  ) 5.0 5.7 4.5 ! Q17    A40  
assign (resi   17  and name HG#  ) (resi   17  and name HE#  ) 3.0 2.2 1.5 ! Q17   
assign (resi   17  and name HG#  ) (resi   18  and name HN   ) 4.0 3.2 2.0 ! Q17   
assign (resi   17  and name HG#  ) (resi   20  and name HN   ) 5.0 4.2 3.0 ! Q17   
assign (resi   17  and name HG#  ) (resi   40  and name HN   ) 5.0 4.2 3.0 ! Q17   
assign (resi   17  and name HE21 ) (resi   20  and name HG1# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HE21 ) (resi   20  and name HG2# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HE21 ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE21 ) (resi   39  and name HA   ) 4.0 2.2 1.0 
assign (resi   17  and name HE21 ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE21 ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   17  and name HE22 ) (resi   20  and name HG1# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HE22 ) (resi   20  and name HG2# ) 5.0 4.7 3.5 ! V20   
assign (resi   17  and name HE22 ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE22 ) (resi   39  and name HA   ) 4.0 2.2 1.0 
assign (resi   17  and name HE22 ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE22 ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   17  and name HE#  ) (resi   18  and name HA   ) 4.0 2.2 1.0 
assign (resi   17  and name HE#  ) (resi   20  and name HN   ) 5.0 3.2 2.0 
assign (resi   17  and name HE#  ) (resi   20  and name HG*  ) 4.0 4.7 3.5 ! V20   
assign (resi   17  and name HE#  ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE#  ) (resi   21  and name HA   ) 4.0 2.2 1.0 
assign (resi   17  and name HE#  ) (resi   38  and name HN   ) 5.0 3.2 2.0 
assign (resi   17  and name HE#  ) (resi   38  and name HB1  ) 5.0 3.2 2.0 
assign (resi   17  and name HE#  ) (resi   39  and name HN   ) 5.0 3.2 2.0 
assign (resi   17  and name HE#  ) (resi   39  and name HA   ) 3.0 1.2 0.5 
assign (resi   17  and name HE#  ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   17  and name HE#  ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   

! residue E18 
assign (resi   18  and name HN   ) (resi   18  and name HA   ) 2.7 0.9 0.2 
assign (resi   18  and name HN   ) (resi   18  and name HB2  ) 2.7 0.9 0.2 
assign (resi   18  and name HN   ) (resi   18  and name HB1  ) 2.7 0.9 0.2 
assign (resi   18  and name HN   ) (resi   18  and name HG2  ) 3.0 1.2 0.5 
assign (resi   18  and name HN   ) (resi   18  and name HG1  ) 3.0 1.2 0.5 
assign (resi   18  and name HN   ) (resi   19  and name HN   ) 2.7 0.9 0.2 
assign (resi   18  and name HN   ) (resi   19  and name HB   ) 3.0 1.2 0.5 
assign (resi   18  and name HN   ) (resi   19  and name HG1# ) 5.0 4.2 3.0 ! I19   
assign (resi   18  and name HN   ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   18  and name HN   ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   18  and name HA   ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HA   ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   18  and name HA   ) (resi   21  and name HN   ) 2.7 0.9 0.2 
assign (resi   18  and name HA   ) (resi   21  and name HB2  ) 3.0 1.2 0.5 
assign (resi   18  and name HA   ) (resi   21  and name HB1  ) 4.0 2.2 1.0 
assign (resi   18  and name HB2  ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HB1  ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HB#  ) (resi   19  and name HN   ) 2.7 1.9 1.2 ! E18   
assign (resi   18  and name HB#  ) (resi   20  and name HN   ) 4.0 3.2 2.0 ! E18   
assign (resi   18  and name HG#  ) (resi   19  and name HN   ) 4.0 3.2 2.0 ! E18   
assign (resi   18  and name HG#  ) (resi   22  and name HN   ) 5.0 4.2 3.0 ! E18   

! residue I19 
assign (resi   19  and name HN   ) (resi   19  and name HB   ) 2.7 0.9 0.2 
assign (resi   19  and name HN   ) (resi   19  and name HG12 ) 3.0 1.2 0.5 
assign (resi   19  and name HN   ) (resi   19  and name HG11 ) 3.0 1.2 0.5 
assign (resi   19  and name HN   ) (resi   19  and name HG1# ) 2.7 1.9 1.2 ! I19   
assign (resi   19  and name HN   ) (resi   19  and name HD#  ) 4.0 2.2 1.0 
assign (resi   19  and name HN   ) (resi   20  and name HN   ) 2.7 0.9 0.2 
assign (resi   19  and name HN   ) (resi   20  and name HG*  ) 5.0 5.7 4.5 ! V20   
assign (resi   19  and name HN   ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   19  and name HG12 ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   19  and name HG11 ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   20  and name HN   ) 3.0 1.2 0.5 
assign (resi   19  and name HA   ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   22  and name HN   ) 3.0 1.2 0.5 
assign (resi   19  and name HA   ) (resi   22  and name HB2  ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   22  and name HB1  ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   22  and name HB#  ) 3.0 2.2 1.5 ! K22   
assign (resi   19  and name HA   ) (resi   23  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HA   ) (resi   80  and name HG   ) 4.0 2.2 1.0 
assign (resi   19  and name HB   ) (resi   20  and name HN   ) 2.7 0.9 0.2 
assign (resi   19  and name HB   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   19  and name HG12 ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HG11 ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HG1# ) (resi   20  and name HN   ) 4.0 3.2 2.0 ! I19   
assign (resi   19  and name HG1# ) (resi   21  and name HN   ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HG1# ) (resi   53  and name HN   ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HG1# ) (resi   53  and name HD#  ) 5.0 6.2 5.0 ! I19    Y53  
assign (resi   19  and name HG1# ) (resi   54  and name HN   ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HD#  ) (resi   20  and name HN   ) 5.0 3.2 2.0 

! residue V20 
assign (resi   20  and name HN   ) (resi   20  and name HA   ) 2.7 0.9 0.2 
assign (resi   20  and name HN   ) (resi   20  and name HB   ) 2.7 0.9 0.2 
assign (resi   20  and name HN   ) (resi   20  and name HG1# ) 4.0 3.7 2.5 ! V20   
assign (resi   20  and name HN   ) (resi   20  and name HG2# ) 4.0 3.7 2.5 ! V20   
assign (resi   20  and name HN   ) (resi   20  and name HG*  ) 4.0 4.7 3.5 ! V20   
assign (resi   20  and name HN   ) (resi   21  and name HN   ) 2.7 0.9 0.2 
assign (resi   20  and name HN   ) (resi   21  and name HB2  ) 4.0 2.2 1.0 
assign (resi   20  and name HN   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assign (resi   20  and name HN   ) (resi   22  and name HB#  ) 5.0 4.2 3.0 ! K22   
assign (resi   20  and name HN   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   20  and name HN   ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   20  and name HA   ) (resi   21  and name HN   ) 3.0 1.2 0.5 
assign (resi   20  and name HA   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assign (resi   20  and name HA   ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   20  and name HA   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   20  and name HA   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   20  and name HB   ) (resi   21  and name HN   ) 2.7 0.9 0.2 
assign (resi   20  and name HB   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assign (resi   20  and name HB   ) (resi   27  and name HB#  ) 5.0 4.2 3.0 ! L27   
assign (resi   20  and name HB   ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   20  and name HG1# ) (resi   21  and name HN   ) 4.0 3.7 2.5 ! V20   
assign (resi   20  and name HG1# ) (resi   22  and name HN   ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG1# ) (resi   27  and name HB2  ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG1# ) (resi   27  and name HB1  ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG2# ) (resi   21  and name HN   ) 4.0 3.7 2.5 ! V20   
assign (resi   20  and name HG2# ) (resi   22  and name HN   ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG2# ) (resi   27  and name HB2  ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG2# ) (resi   27  and name HB1  ) 5.0 4.7 3.5 ! V20   
assign (resi   20  and name HG*  ) (resi   21  and name HN   ) 4.0 4.7 3.5 ! V20   
assign (resi   20  and name HG*  ) (resi   21  and name HA   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   22  and name HN   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   22  and name HB#  ) 5.0 6.7 5.5 ! V20    K22  
assign (resi   20  and name HG*  ) (resi   24  and name HN   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   26  and name HB#  ) 5.0 6.7 5.5 ! V20    Q26  
assign (resi   20  and name HG*  ) (resi   27  and name HA   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   27  and name HB#  ) 5.0 6.7 5.5 ! V20    L27  
assign (resi   20  and name HG*  ) (resi   40  and name HN   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   43  and name HA   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   55  and name HA   ) 5.0 5.7 4.5 ! V20   

! residue D21 
assign (resi   21  and name HN   ) (resi   21  and name HA   ) 2.7 0.9 0.2 
assign (resi   21  and name HN   ) (resi   21  and name HB2  ) 2.7 0.9 0.2 
assign (resi   21  and name HN   ) (resi   21  and name HB1  ) 2.7 0.9 0.2 
assign (resi   21  and name HN   ) (resi   22  and name HN   ) 2.7 0.9 0.2 
assign (resi   21  and name HN   ) (resi   22  and name HB2  ) 4.0 2.2 1.0 
assign (resi   21  and name HN   ) (resi   22  and name HB1  ) 4.0 2.2 1.0 
assign (resi   21  and name HN   ) (resi   22  and name HB#  ) 4.0 3.2 2.0 ! K22   
assign (resi   21  and name HN   ) (resi   23  and name HN   ) 4.0 2.2 1.0 
assign (resi   21  and name HN   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   21  and name HN   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   21  and name HN   ) (resi   24  and name HB#  ) 4.0 3.2 2.0 ! K24   
assign (resi   21  and name HA   ) (resi   22  and name HN   ) 3.0 1.2 0.5 
assign (resi   21  and name HA   ) (resi   23  and name HN   ) 4.0 2.2 1.0 
assign (resi   21  and name HA   ) (resi   24  and name HN   ) 3.0 1.2 0.5 
assign (resi   21  and name HA   ) (resi   24  and name HB2  ) 4.0 2.2 1.0 
assign (resi   21  and name HA   ) (resi   24  and name HB1  ) 4.0 2.2 1.0 
assign (resi   21  and name HA   ) (resi   24  and name HB#  ) 3.0 2.2 1.5 ! K24   
assign (resi   21  and name HA   ) (resi   24  and name HD#  ) 5.0 4.2 3.0 ! K24   
assign (resi   21  and name HB2  ) (resi   22  and name HN   ) 2.7 0.9 0.2 
assign (resi   21  and name HB1  ) (resi   22  and name HN   ) 3.0 1.2 0.5 

! residue K22 
assign (resi   22  and name HN   ) (resi   22  and name HA   ) 2.7 0.9 0.2 
assign (resi   22  and name HN   ) (resi   22  and name HB2  ) 2.7 0.9 0.2 
assign (resi   22  and name HN   ) (resi   22  and name HB1  ) 2.7 0.9 0.2 
assign (resi   22  and name HN   ) (resi   22  and name HB#  ) 2.7 1.9 1.2 ! K22   
assign (resi   22  and name HN   ) (resi   22  and name HG2  ) 4.0 2.2 1.0 
assign (resi   22  and name HN   ) (resi   22  and name HG1  ) 4.0 2.2 1.0 
assign (resi   22  and name HN   ) (resi   22  and name HG#  ) 3.0 2.2 1.5 ! K22   
assign (resi   22  and name HN   ) (resi   22  and name HD#  ) 4.0 3.2 2.0 ! K22   
assign (resi   22  and name HN   ) (resi   23  and name HN   ) 2.7 0.9 0.2 
assign (resi   22  and name HN   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   22  and name HN   ) (resi   24  and name HN   ) 2.7 0.9 0.2 
assign (resi   22  and name HN   ) (resi   24  and name HB#  ) 4.0 3.2 2.0 ! K24   
assign (resi   22  and name HA   ) (resi   22  and name HG2  ) 4.0 2.2 1.0 
assign (resi   22  and name HA   ) (resi   22  and name HG1  ) 4.0 2.2 1.0 
assign (resi   22  and name HA   ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   22  and name HA   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   22  and name HB2  ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   22  and name HB1  ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   22  and name HB#  ) (resi   23  and name HN   ) 2.7 1.9 1.2 ! K22   
assign (resi   22  and name HB#  ) (resi   23  and name HG*  ) 5.0 6.7 5.5 ! K22    V23  
assign (resi   22  and name HB#  ) (resi   24  and name HN   ) 4.0 3.2 2.0 ! K22   
assign (resi   22  and name HG2  ) (resi   23  and name HN   ) 5.0 3.2 2.0 
assign (resi   22  and name HG1  ) (resi   23  and name HN   ) 5.0 3.2 2.0 
assign (resi   22  and name HG#  ) (resi   23  and name HN   ) 4.0 3.2 2.0 ! K22   
assign (resi   22  and name HG#  ) (resi   26  and name HE#  ) 5.0 4.2 3.0 ! K22   

! residue V23 
assign (resi   23  and name HN   ) (resi   23  and name HB   ) 2.7 0.9 0.2 
assign (resi   23  and name HN   ) (resi   23  and name HG1# ) 4.0 3.7 2.5 ! V23   
assign (resi   23  and name HN   ) (resi   23  and name HG2# ) 4.0 3.7 2.5 ! V23   
assign (resi   23  and name HN   ) (resi   24  and name HA   ) 4.0 2.2 1.0 
assign (resi   23  and name HN   ) (resi   24  and name HB#  ) 4.0 3.2 2.0 ! K24   
assign (resi   23  and name HN   ) (resi   25  and name HD2  ) 5.0 3.2 2.0 
assign (resi   23  and name HN   ) (resi   25  and name HD1  ) 5.0 3.2 2.0 
assign (resi   23  and name HN   ) (resi   27  and name HB#  ) 4.0 3.2 2.0 ! L27   
assign (resi   23  and name HN   ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   23  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   23  and name HA   ) (resi   23  and name HB   ) 2.7 0.9 0.2 
assign (resi   23  and name HA   ) (resi   24  and name HN   ) 3.0 1.2 0.5 
assign (resi   23  and name HA   ) (resi   25  and name HD#  ) 5.0 4.2 3.0 ! P25   
assign (resi   23  and name HA   ) (resi   26  and name HN   ) 2.7 0.9 0.2 
assign (resi   23  and name HA   ) (resi   26  and name HB#  ) 5.0 4.2 3.0 ! Q26   
assign (resi   23  and name HA   ) (resi   26  and name HG#  ) 5.0 4.2 3.0 ! Q26   
assign (resi   23  and name HA   ) (resi   26  and name HE#  ) 4.0 2.2 1.0 
assign (resi   23  and name HA   ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HA   ) (resi   27  and name HB#  ) 4.0 3.2 2.0 ! L27   
assign (resi   23  and name HA   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   23  and name HB   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   26  and name HE#  ) 5.0 3.2 2.0 
assign (resi   23  and name HB   ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   80  and name HB1  ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   23  and name HB   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HG1# ) (resi   24  and name HN   ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG1# ) (resi   26  and name HE21 ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG1# ) (resi   26  and name HE22 ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG2# ) (resi   24  and name HN   ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG2# ) (resi   26  and name HE21 ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG2# ) (resi   26  and name HE22 ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG*  ) (resi   24  and name HN   ) 4.0 4.7 3.5 ! V23   
assign (resi   23  and name HG*  ) (resi   24  and name HA   ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   26  and name HN   ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   26  and name HE#  ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   27  and name HN   ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   82  and name HN   ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   82  and name HA   ) 5.0 5.7 4.5 ! V23   
assign (resi   23  and name HG*  ) (resi   85  and name HD#  ) 5.0 7.7 6.5 ! V23    Y85  

! residue K24 
assign (resi   24  and name HN   ) (resi   24  and name HA   ) 2.7 0.9 0.2 
assign (resi   24  and name HN   ) (resi   24  and name HB2  ) 2.7 0.9 0.2 
assign (resi   24  and name HN   ) (resi   24  and name HB1  ) 2.7 0.9 0.2 
assign (resi   24  and name HN   ) (resi   24  and name HG2  ) 4.0 2.2 1.0 
assign (resi   24  and name HN   ) (resi   24  and name HG1  ) 4.0 2.2 1.0 
assign (resi   24  and name HN   ) (resi   24  and name HG#  ) 4.0 3.2 2.0 ! K24   
assign (resi   24  and name HN   ) (resi   24  and name HD#  ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HN   ) (resi   25  and name HD2  ) 3.0 1.2 0.5 
assign (resi   24  and name HN   ) (resi   25  and name HD1  ) 3.0 1.2 0.5 
assign (resi   24  and name HN   ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assign (resi   24  and name HN   ) (resi   27  and name HB#  ) 4.0 3.2 2.0 ! L27   
assign (resi   24  and name HA   ) (resi   24  and name HG2  ) 4.0 2.2 1.0 
assign (resi   24  and name HA   ) (resi   24  and name HG1  ) 4.0 2.2 1.0 
assign (resi   24  and name HA   ) (resi   24  and name HG#  ) 3.0 2.2 1.5 ! K24   
assign (resi   24  and name HA   ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assign (resi   24  and name HA   ) (resi   27  and name HN   ) 3.0 1.2 0.5 
assign (resi   24  and name HA   ) (resi   27  and name HB2  ) 4.0 2.2 1.0 
assign (resi   24  and name HA   ) (resi   27  and name HB1  ) 4.0 2.2 1.0 
assign (resi   24  and name HA   ) (resi   27  and name HB#  ) 3.0 2.2 1.5 ! L27   
assign (resi   24  and name HA   ) (resi   27  and name HD*  ) 5.0 5.7 4.5 ! L27   
assign (resi   24  and name HA   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   24  and name HA   ) (resi   38  and name HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   24  and name HB2  ) (resi   25  and name HD2  ) 5.0 3.2 2.0 
assign (resi   24  and name HB2  ) (resi   25  and name HD1  ) 5.0 3.2 2.0 
assign (resi   24  and name HB2  ) (resi   38  and name HD1# ) 5.0 4.7 3.5 ! L38   
assign (resi   24  and name HB2  ) (resi   38  and name HD2# ) 5.0 4.7 3.5 ! L38   
assign (resi   24  and name HB1  ) (resi   25  and name HD2  ) 5.0 3.2 2.0 
assign (resi   24  and name HB1  ) (resi   25  and name HD1  ) 5.0 3.2 2.0 
assign (resi   24  and name HB1  ) (resi   38  and name HD1# ) 5.0 4.7 3.5 ! L38   
assign (resi   24  and name HB1  ) (resi   38  and name HD2# ) 5.0 4.7 3.5 ! L38   
assign (resi   24  and name HB#  ) (resi   24  and name HE#  ) 5.0 5.2 4.0 ! K24    K24  
assign (resi   24  and name HB#  ) (resi   25  and name HD#  ) 5.0 5.2 4.0 ! K24    P25  
assign (resi   24  and name HB#  ) (resi   27  and name HN   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HB#  ) (resi   38  and name HD*  ) 5.0 6.7 5.5 ! K24    L38  
assign (resi   24  and name HB#  ) (resi   68  and name HB2  ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HG#  ) (resi   26  and name HN   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HG#  ) (resi   35  and name HD#  ) 5.0 6.2 5.0 ! K24    Y35  
assign (resi   24  and name HG#  ) (resi   35  and name HE#  ) 4.0 6.2 5.0 ! K24    Y35  
assign (resi   24  and name HD#  ) (resi   35  and name HN   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HE#  ) (resi   35  and name HD#  ) 5.0 6.2 5.0 ! K24    Y35  

! residue P25 
assign (resi   25  and name HA   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HA   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assign (resi   25  and name HB2  ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HB1  ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HB#  ) (resi   26  and name HN   ) 2.7 1.9 1.2 ! P25   
assign (resi   25  and name HB#  ) (resi   26  and name HB#  ) 5.0 5.2 4.0 ! P25    Q26  
assign (resi   25  and name HG#  ) (resi   26  and name HN   ) 4.0 3.2 2.0 ! P25   
assign (resi   25  and name HD#  ) (resi   26  and name HN   ) 4.0 3.2 2.0 ! P25   

! residue Q26 
assign (resi   26  and name HN   ) (resi   26  and name HB#  ) 4.0 3.2 2.0 ! Q26   
assign (resi   26  and name HN   ) (resi   26  and name HG2  ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   26  and name HG1  ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   26  and name HG#  ) 3.0 2.2 1.5 ! Q26   
assign (resi   26  and name HN   ) (resi   26  and name HE21 ) 5.0 3.2 2.0 
assign (resi   26  and name HN   ) (resi   26  and name HE22 ) 5.0 3.2 2.0 
assign (resi   26  and name HN   ) (resi   26  and name HE#  ) 5.0 3.2 2.0 
assign (resi   26  and name HN   ) (resi   27  and name HN   ) 2.7 0.9 0.2 
assign (resi   26  and name HN   ) (resi   27  and name HB#  ) 4.0 3.2 2.0 ! L27   
assign (resi   26  and name HN   ) (resi   28  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   26  and name HA   ) (resi   26  and name HG#  ) 4.0 3.2 2.0 ! Q26   
assign (resi   26  and name HA   ) (resi   27  and name HN   ) 3.0 1.2 0.5 
assign (resi   26  and name HA   ) (resi   29  and name HN   ) 2.7 0.9 0.2 
assign (resi   26  and name HA   ) (resi   29  and name HB#  ) 4.0 3.2 2.0 ! E29   
assign (resi   26  and name HB#  ) (resi   26  and name HE21 ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   26  and name HE22 ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   27  and name HN   ) 4.0 3.2 2.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   28  and name HN   ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   80  and name HB1  ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   82  and name HN   ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HG2  ) (resi   27  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HG1  ) (resi   27  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HG#  ) (resi   27  and name HN   ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HE21 ) (resi   82  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HE22 ) (resi   82  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HE#  ) (resi   81  and name HA   ) 4.0 2.2 1.0 
assign (resi   26  and name HE#  ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HE#  ) (resi   82  and name HB2  ) 5.0 3.2 2.0 
assign (resi   26  and name HE#  ) (resi   82  and name HB1  ) 5.0 3.2 2.0 
assign (resi   26  and name HE#  ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   

! residue L27 
assign (resi   27  and name HN   ) (resi   27  and name HB2  ) 2.7 0.9 0.2 
assign (resi   27  and name HN   ) (resi   27  and name HB1  ) 2.7 0.9 0.2 
assign (resi   27  and name HN   ) (resi   27  and name HG   ) 4.0 2.2 1.0 
assign (resi   27  and name HN   ) (resi   27  and name HD1# ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HN   ) (resi   27  and name HD2# ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HN   ) (resi   27  and name HD*  ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HN   ) (resi   28  and name HN   ) 2.7 0.9 0.2 
assign (resi   27  and name HN   ) (resi   28  and name HG#  ) 5.0 4.2 3.0 ! E28   
assign (resi   27  and name HN   ) (resi   30  and name HG#  ) 5.0 4.2 3.0 ! K30   
assign (resi   27  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   27  and name HA   ) (resi   27  and name HD1# ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HA   ) (resi   27  and name HD2# ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HA   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   27  and name HA   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assign (resi   27  and name HA   ) (resi   30  and name HN   ) 3.0 1.2 0.5 
assign (resi   27  and name HA   ) (resi   30  and name HB2  ) 3.0 1.2 0.5 
assign (resi   27  and name HA   ) (resi   30  and name HB1  ) 3.0 1.2 0.5 
assign (resi   27  and name HA   ) (resi   31  and name HN   ) 4.0 2.2 1.0 
assign (resi   27  and name HA   ) (resi   31  and name HG2# ) 5.0 4.7 3.5 ! T31   
assign (resi   27  and name HB2  ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   27  and name HB1  ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   27  and name HB#  ) (resi   28  and name HN   ) 2.7 1.9 1.2 ! L27   
assign (resi   27  and name HB#  ) (resi   35  and name HE#  ) 5.0 7.2 6.0 ! L27    Y35  
assign (resi   27  and name HB#  ) (resi   85  and name HD#  ) 4.0 5.2 4.0 ! L27    Y85  
assign (resi   27  and name HB#  ) (resi   85  and name HE#  ) 4.0 6.2 5.0 ! L27    Y85  
assign (resi   27  and name HG   ) (resi   28  and name HN   ) 4.0 2.2 1.0 
assign (resi   27  and name HG   ) (resi   28  and name HA   ) 5.0 3.2 2.0 
assign (resi   27  and name HG   ) (resi   31  and name HN   ) 5.0 3.2 2.0 
assign (resi   27  and name HD1# ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HD2# ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HD*  ) (resi   28  and name HN   ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   30  and name HN   ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   31  and name HN   ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   35  and name HE#  ) 5.0 8.7 7.5 ! L27    Y35  
assign (resi   27  and name HD*  ) (resi   85  and name HB2  ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   85  and name HB1  ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   85  and name HD#  ) 5.0 7.7 6.5 ! L27    Y85  
assign (resi   27  and name HD*  ) (resi   85  and name HE#  ) 5.0 8.7 7.5 ! L27    Y85  

! residue E28 
assign (resi   28  and name HN   ) (resi   28  and name HB2  ) 2.7 0.9 0.2 
assign (resi   28  and name HN   ) (resi   28  and name HB1  ) 2.7 0.9 0.2 
assign (resi   28  and name HN   ) (resi   28  and name HG2  ) 2.7 0.9 0.2 
assign (resi   28  and name HN   ) (resi   28  and name HG1  ) 2.7 0.9 0.2 
assign (resi   28  and name HN   ) (resi   28  and name HG#  ) 2.7 1.9 1.2 ! E28   
assign (resi   28  and name HN   ) (resi   29  and name HN   ) 2.7 0.9 0.2 
assign (resi   28  and name HN   ) (resi   29  and name HG#  ) 5.0 4.2 3.0 ! E29   
assign (resi   28  and name HN   ) (resi   30  and name HN   ) 4.0 2.2 1.0 
assign (resi   28  and name HN   ) (resi   35  and name HD#  ) 5.0 5.2 4.0 ! Y35   
assign (resi   28  and name HN   ) (resi   35  and name HE#  ) 5.0 6.2 5.0 ! Y35   
assign (resi   28  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   28  and name HA   ) (resi   28  and name HG2  ) 3.0 1.2 0.5 
assign (resi   28  and name HA   ) (resi   28  and name HG1  ) 3.0 1.2 0.5 
assign (resi   28  and name HA   ) (resi   33  and name HN   ) 3.0 1.2 0.5 
assign (resi   28  and name HA   ) (resi   35  and name HE#  ) 4.0 5.2 4.0 ! Y35   
assign (resi   28  and name HB2  ) (resi   29  and name HN   ) 2.7 0.9 0.2 
assign (resi   28  and name HB2  ) (resi   33  and name HN   ) 5.0 3.2 2.0 
assign (resi   28  and name HB1  ) (resi   29  and name HN   ) 2.7 0.9 0.2 
assign (resi   28  and name HB1  ) (resi   35  and name HN   ) 5.0 3.2 2.0 
assign (resi   28  and name HG2  ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assign (resi   28  and name HG2  ) (resi   35  and name HD#  ) 4.0 4.2 3.0 ! Y35   
assign (resi   28  and name HG1  ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assign (resi   28  and name HG1  ) (resi   35  and name HD#  ) 4.0 4.2 3.0 ! Y35   
assign (resi   28  and name HG#  ) (resi   29  and name HN   ) 4.0 3.2 2.0 ! E28   
assign (resi   28  and name HG#  ) (resi   31  and name HN   ) 5.0 4.2 3.0 ! E28   
assign (resi   28  and name HG#  ) (resi   35  and name HN   ) 4.0 3.2 2.0 ! E28   
assign (resi   28  and name HG#  ) (resi   35  and name HE#  ) 5.0 7.2 6.0 ! E28    Y35  

! residue E29 
assign (resi   29  and name HN   ) (resi   29  and name HA   ) 2.7 0.9 0.2 
assign (resi   29  and name HN   ) (resi   29  and name HB#  ) 3.0 2.2 1.5 ! E29   
assign (resi   29  and name HN   ) (resi   29  and name HG2  ) 4.0 2.2 1.0 
assign (resi   29  and name HN   ) (resi   29  and name HG1  ) 4.0 2.2 1.0 
assign (resi   29  and name HN   ) (resi   29  and name HG#  ) 4.0 3.2 2.0 ! E29   
assign (resi   29  and name HN   ) (resi   30  and name HB2  ) 4.0 2.2 1.0 
assign (resi   29  and name HA   ) (resi   29  and name HG2  ) 4.0 2.2 1.0 
assign (resi   29  and name HA   ) (resi   29  and name HG1  ) 4.0 2.2 1.0 
assign (resi   29  and name HA   ) (resi   29  and name HG#  ) 4.0 3.2 2.0 ! E29   
assign (resi   29  and name HA   ) (resi   30  and name HN   ) 3.0 1.2 0.5 
assign (resi   29  and name HB#  ) (resi   30  and name HN   ) 4.0 3.2 2.0 ! E29   
assign (resi   29  and name HB#  ) (resi   31  and name HN   ) 5.0 4.2 3.0 ! E29   
assign (resi   29  and name HG2  ) (resi   30  and name HN   ) 5.0 3.2 2.0 
assign (resi   29  and name HG1  ) (resi   30  and name HN   ) 5.0 3.2 2.0 
assign (resi   29  and name HG#  ) (resi   30  and name HN   ) 5.0 4.2 3.0 ! E29   

! residue K30 
assign (resi   30  and name HN   ) (resi   30  and name HB2  ) 2.7 0.9 0.2 
assign (resi   30  and name HN   ) (resi   30  and name HB1  ) 2.7 0.9 0.2 
assign (resi   30  and name HN   ) (resi   30  and name HG#  ) 4.0 3.2 2.0 ! K30   
assign (resi   30  and name HN   ) (resi   31  and name HN   ) 2.7 0.9 0.2 
assign (resi   30  and name HN   ) (resi   31  and name HG2# ) 5.0 4.7 3.5 ! T31   
assign (resi   30  and name HN   ) (resi   32  and name HD#  ) 5.0 3.2 2.0 
assign (resi   30  and name HA   ) (resi   30  and name HB2  ) 2.7 0.9 0.2 
assign (resi   30  and name HA   ) (resi   30  and name HB1  ) 2.7 0.9 0.2 
assign (resi   30  and name HA   ) (resi   30  and name HD#  ) 4.0 3.2 2.0 ! K30   
assign (resi   30  and name HA   ) (resi   31  and name HN   ) 3.0 1.2 0.5 
assign (resi   30  and name HA   ) (resi   32  and name HN   ) 3.0 1.2 0.5 
assign (resi   30  and name HB2  ) (resi   31  and name HN   ) 2.7 0.9 0.2 
assign (resi   30  and name HB2  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   30  and name HB1  ) (resi   31  and name HN   ) 3.0 1.2 0.5 
assign (resi   30  and name HB1  ) (resi   31  and name HG2# ) 5.0 4.7 3.5 ! T31   
assign (resi   30  and name HB1  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   30  and name HD2  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   30  and name HD1  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   30  and name HD#  ) (resi   85  and name HE#  ) 4.0 6.2 5.0 ! K30    Y85  

! residue T31 
assign (resi   31  and name HN   ) (resi   31  and name HB   ) 2.7 0.9 0.2 
assign (resi   31  and name HN   ) (resi   31  and name HG2# ) 4.0 3.7 2.5 ! T31   
assign (resi   31  and name HN   ) (resi   33  and name HN   ) 2.7 0.9 0.2 
assign (resi   31  and name HA   ) (resi   31  and name HB   ) 2.7 0.9 0.2 
assign (resi   31  and name HB   ) (resi   33  and name HB#  ) 5.0 4.2 3.0 ! E33   
assign (resi   31  and name HB   ) (resi   33  and name HG#  ) 5.0 4.2 3.0 ! E33   
assign (resi   31  and name HG2# ) (resi   32  and name HN   ) 5.0 4.7 3.5 ! T31   
assign (resi   31  and name HG2# ) (resi   33  and name HN   ) 5.0 4.7 3.5 ! T31   

! residue N32 
assign (resi   32  and name HN   ) (resi   32  and name HA   ) 2.7 0.9 0.2 
assign (resi   32  and name HN   ) (resi   32  and name HB2  ) 3.0 1.2 0.5 
assign (resi   32  and name HN   ) (resi   32  and name HB1  ) 2.7 0.9 0.2 
assign (resi   32  and name HN   ) (resi   33  and name HN   ) 2.7 0.9 0.2 
assign (resi   32  and name HN   ) (resi   33  and name HA   ) 4.0 2.2 1.0 
assign (resi   32  and name HN   ) (resi   33  and name HB#  ) 5.0 4.2 3.0 ! E33   
assign (resi   32  and name HA   ) (resi   32  and name HB2  ) 2.7 0.9 0.2 
assign (resi   32  and name HA   ) (resi   32  and name HB1  ) 2.7 0.9 0.2 
assign (resi   32  and name HA   ) (resi   33  and name HN   ) 2.7 0.9 0.2 
assign (resi   32  and name HA   ) (resi   33  and name HB#  ) 5.0 4.2 3.0 ! E33   
assign (resi   32  and name HB2  ) (resi   33  and name HN   ) 4.0 2.2 1.0 
assign (resi   32  and name HB1  ) (resi   33  and name HN   ) 4.0 2.2 1.0 

! residue E33 
assign (resi   33  and name HN   ) (resi   33  and name HG#  ) 5.0 4.2 3.0 ! E33   
assign (resi   33  and name HN   ) (resi   35  and name HE#  ) 5.0 6.2 5.0 ! Y35   
assign (resi   33  and name HA   ) (resi   34  and name HN   ) 2.7 0.9 0.2 
assign (resi   33  and name HB#  ) (resi   34  and name HN   ) 4.0 3.2 2.0 ! E33   
assign (resi   33  and name HB#  ) (resi   35  and name HE#  ) 5.0 7.2 6.0 ! E33    Y35  
assign (resi   33  and name HG#  ) (resi   34  and name HN   ) 5.0 4.2 3.0 ! E33   

! residue T34 
assign (resi   34  and name HN   ) (resi   34  and name HB   ) 2.7 0.9 0.2 
assign (resi   34  and name HN   ) (resi   34  and name HG2# ) 4.0 3.7 2.5 ! T34   
assign (resi   34  and name HN   ) (resi   35  and name HN   ) 4.0 2.2 1.0 
assign (resi   34  and name HN   ) (resi   35  and name HA   ) 4.0 2.2 1.0 
assign (resi   34  and name HA   ) (resi   35  and name HN   ) 2.7 0.9 0.2 
assign (resi   34  and name HA   ) (resi   35  and name HD#  ) 4.0 4.2 3.0 ! Y35   
assign (resi   34  and name HB   ) (resi   35  and name HN   ) 3.0 1.2 0.5 
assign (resi   34  and name HB   ) (resi   36  and name HN   ) 4.0 2.2 1.0 
assign (resi   34  and name HG2# ) (resi   35  and name HN   ) 4.0 3.7 2.5 ! T34   
assign (resi   34  and name HG2# ) (resi   36  and name HN   ) 5.0 4.7 3.5 ! T34   

! residue Y35 
assign (resi   35  and name HN   ) (resi   35  and name HB2  ) 2.7 0.9 0.2 
assign (resi   35  and name HN   ) (resi   35  and name HB1  ) 3.0 1.2 0.5 
assign (resi   35  and name HN   ) (resi   38  and name HG   ) 5.0 3.2 2.0 
assign (resi   35  and name HN   ) (resi   38  and name HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   35  and name HA   ) (resi   35  and name HB1  ) 2.7 0.9 0.2 
assign (resi   35  and name HA   ) (resi   36  and name HN   ) 3.0 1.2 0.5 
assign (resi   35  and name HB2  ) (resi   36  and name HN   ) 3.0 1.2 0.5 
assign (resi   35  and name HB2  ) (resi   38  and name HG   ) 4.0 2.2 1.0 
assign (resi   35  and name HB2  ) (resi   38  and name HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   35  and name HB1  ) (resi   36  and name HN   ) 3.0 1.2 0.5 
assign (resi   35  and name HB1  ) (resi   37  and name HN   ) 4.0 2.2 1.0 
assign (resi   35  and name HB1  ) (resi   38  and name HN   ) 4.0 2.2 1.0 
assign (resi   35  and name HB1  ) (resi   38  and name HG   ) 4.0 2.2 1.0 
assign (resi   35  and name HB1  ) (resi   38  and name HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   35  and name HD#  ) (resi   36  and name HN   ) 5.0 5.2 4.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   37  and name HN   ) 5.0 5.2 4.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   38  and name HD*  ) 5.0 7.7 6.5 ! Y35    L38  
assign (resi   35  and name HD#  ) (resi   57  and name HN   ) 5.0 5.2 4.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   59  and name HB#  ) 5.0 6.7 5.5 ! Y35    A59  
assign (resi   35  and name HD#  ) (resi   65  and name HD*  ) 5.0 7.7 6.5 ! Y35    L65  
assign (resi   35  and name HD#  ) (resi   66  and name HN   ) 5.0 5.2 4.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   67  and name HN   ) 5.0 5.2 4.0 ! Y35   
assign (resi   35  and name HE#  ) (resi   38  and name HD*  ) 5.0 8.7 7.5 ! Y35    L38  
assign (resi   35  and name HE#  ) (resi   65  and name HD*  ) 5.0 8.7 7.5 ! Y35    L65  
assign (resi   35  and name HE#  ) (resi   67  and name HD*  ) 5.0 8.7 7.5 ! Y35    L67  
assign (resi   35  and name HE#  ) (resi   87  and name HG*  ) 5.0 8.7 7.5 ! Y35    V87  

! residue G36 
assign (resi   36  and name HN   ) (resi   36  and name HA2  ) 2.7 0.9 0.2 
assign (resi   36  and name HN   ) (resi   36  and name HA1  ) 2.7 0.9 0.2 
assign (resi   36  and name HN   ) (resi   36  and name HA#  ) 2.7 1.9 1.2 ! G36   
assign (resi   36  and name HN   ) (resi   37  and name HN   ) 3.0 1.2 0.5 
assign (resi   36  and name HN   ) (resi   37  and name HB#  ) 5.0 4.2 3.0 ! K37   
assign (resi   36  and name HN   ) (resi   38  and name HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   36  and name HA2  ) (resi   37  and name HN   ) 2.7 0.9 0.5 
assign (resi   36  and name HA1  ) (resi   37  and name HN   ) 2.7 0.9 0.5 
assign (resi   36  and name HA#  ) (resi   37  and name HN   ) 2.7 1.9 1.2 ! G36   

! residue K37 
assign (resi   37  and name HN   ) (resi   37  and name HB#  ) 4.0 3.2 2.0 ! K37   
assign (resi   37  and name HN   ) (resi   37  and name HG2  ) 4.0 2.2 1.0 
assign (resi   37  and name HN   ) (resi   37  and name HG1  ) 4.0 2.2 1.0 
assign (resi   37  and name HN   ) (resi   37  and name HD#  ) 4.0 3.2 2.0 ! K37   
assign (resi   37  and name HN   ) (resi   38  and name HN   ) 4.0 2.2 1.0 
assign (resi   37  and name HA   ) (resi   37  and name HG#  ) 4.0 3.2 2.0 ! K37   
assign (resi   37  and name HA   ) (resi   38  and name HN   ) 2.7 0.9 0.2 
assign (resi   37  and name HB#  ) (resi   38  and name HN   ) 4.0 3.2 2.0 ! K37   
assign (resi   37  and name HB#  ) (resi   61  and name HN   ) 5.0 4.2 3.0 ! K37   
assign (resi   37  and name HD#  ) (resi   39  and name HN   ) 5.0 4.2 3.0 ! K37   

! residue L38 
assign (resi   38  and name HN   ) (resi   38  and name HB2  ) 3.0 1.2 0.5 
assign (resi   38  and name HN   ) (resi   38  and name HB1  ) 2.7 0.9 0.2 
assign (resi   38  and name HN   ) (resi   38  and name HG   ) 3.0 1.2 0.5 
assign (resi   38  and name HN   ) (resi   38  and name HD1# ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HN   ) (resi   38  and name HD2# ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HN   ) (resi   57  and name HB   ) 4.0 2.2 1.0 
assign (resi   38  and name HN   ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   38  and name HA   ) (resi   38  and name HG   ) 4.0 2.2 1.0 
assign (resi   38  and name HA   ) (resi   38  and name HD1# ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HA   ) (resi   38  and name HD2# ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HA   ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   38  and name HA   ) (resi   59  and name HA   ) 2.7 0.9 0.2 
assign (resi   38  and name HA   ) (resi   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
assign (resi   38  and name HA   ) (resi   60  and name HN   ) 4.0 2.2 1.0 
assign (resi   38  and name HB2  ) (resi   39  and name HN   ) 3.0 1.2 0.5 
assign (resi   38  and name HB2  ) (resi   57  and name HB   ) 4.0 2.2 1.0 
assign (resi   38  and name HB2  ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   38  and name HB2  ) (resi   59  and name HA   ) 5.0 3.2 2.0 
assign (resi   38  and name HB2  ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
assign (resi   38  and name HB1  ) (resi   39  and name HN   ) 3.0 1.2 0.5 
assign (resi   38  and name HB1  ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
assign (resi   38  and name HD1# ) (resi   39  and name HN   ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HD2# ) (resi   39  and name HN   ) 4.0 3.7 2.5 ! L38   
assign (resi   38  and name HD*  ) (resi   57  and name HB   ) 5.0 5.7 4.5 ! L38   
assign (resi   38  and name HD*  ) (resi   59  and name HN   ) 5.0 5.7 4.5 ! L38   
assign (resi   38  and name HD*  ) (resi   59  and name HA   ) 5.0 5.7 4.5 ! L38   
assign (resi   38  and name HD*  ) (resi   59  and name HB#  ) 5.0 7.2 6.0 ! L38    A59  
assign (resi   38  and name HD*  ) (resi   60  and name HN   ) 5.0 5.7 4.5 ! L38   

! residue E39 
assign (resi   39  and name HN   ) (resi   39  and name HA   ) 2.7 0.9 0.2 
assign (resi   39  and name HN   ) (resi   39  and name HB2  ) 3.0 1.2 0.5 
assign (resi   39  and name HN   ) (resi   39  and name HB1  ) 2.7 0.9 0.2 
assign (resi   39  and name HN   ) (resi   39  and name HG#  ) 5.0 4.2 3.0 ! E39   
assign (resi   39  and name HN   ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   39  and name HN   ) (resi   57  and name HA   ) 4.0 2.2 1.0 
assign (resi   39  and name HN   ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   39  and name HN   ) (resi   58  and name HN   ) 2.7 0.9 0.2 
assign (resi   39  and name HN   ) (resi   58  and name HA   ) 4.0 2.2 1.0 
assign (resi   39  and name HN   ) (resi   58  and name HB1  ) 3.0 1.2 0.5 
assign (resi   39  and name HA   ) (resi   39  and name HB2  ) 2.7 0.9 0.2 
assign (resi   39  and name HA   ) (resi   39  and name HB1  ) 2.7 0.9 0.2 
assign (resi   39  and name HA   ) (resi   40  and name HN   ) 2.7 0.9 0.2 
assign (resi   39  and name HA   ) (resi   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   39  and name HB2  ) (resi   40  and name HN   ) 3.0 1.2 0.5 
assign (resi   39  and name HB2  ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   39  and name HB1  ) (resi   40  and name HN   ) 4.0 2.2 1.0 
assign (resi   39  and name HB1  ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   39  and name HG#  ) (resi   40  and name HN   ) 5.0 4.2 3.0 ! E39   

! residue A40 
assign (resi   40  and name HN   ) (resi   40  and name HB#  ) 3.0 2.7 2.0 ! A40   
assign (resi   40  and name HN   ) (resi   41  and name HN   ) 4.0 2.2 1.0 
assign (resi   40  and name HN   ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   40  and name HA   ) (resi   41  and name HN   ) 2.7 0.9 0.2 
assign (resi   40  and name HA   ) (resi   41  and name HB   ) 4.0 2.2 1.0 
assign (resi   40  and name HA   ) (resi   42  and name HN   ) 3.0 1.2 0.5 
assign (resi   40  and name HA   ) (resi   55  and name HB   ) 5.0 3.2 2.0 
assign (resi   40  and name HA   ) (resi   57  and name HN   ) 4.0 2.2 1.0 
assign (resi   40  and name HA   ) (resi   57  and name HA   ) 2.7 0.9 0.2 
assign (resi   40  and name HA   ) (resi   57  and name HB   ) 4.0 2.2 1.0 
assign (resi   40  and name HA   ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   40  and name HA   ) (resi   58  and name HN   ) 3.0 1.2 0.5 
assign (resi   40  and name HB#  ) (resi   58  and name HG#  ) 5.0 5.7 4.5 ! A40    R58  

! residue V41 
assign (resi   41  and name HN   ) (resi   41  and name HB   ) 2.7 0.9 0.2 
assign (resi   41  and name HN   ) (resi   42  and name HN   ) 2.7 0.9 0.2 
assign (resi   41  and name HN   ) (resi   56  and name HG#  ) 5.0 4.2 3.0 ! K56   
assign (resi   41  and name HN   ) (resi   57  and name HA   ) 2.7 0.9 0.2 
assign (resi   41  and name HN   ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   41  and name HA   ) (resi   42  and name HN   ) 3.0 1.2 0.5 
assign (resi   41  and name HB   ) (resi   42  and name HA   ) 4.0 2.2 1.0 
assign (resi   41  and name HB   ) (resi   42  and name HB#  ) 4.0 3.2 2.0 ! Q42   
assign (resi   41  and name HB   ) (resi   42  and name HG#  ) 3.0 2.2 1.5 ! Q42   
assign (resi   41  and name HB   ) (resi   56  and name HN   ) 5.0 3.2 2.0 
assign (resi   41  and name HB   ) (resi   56  and name HG#  ) 5.0 4.2 3.0 ! K56   
assign (resi   41  and name HB   ) (resi   58  and name HB2  ) 5.0 3.2 2.0 
assign (resi   41  and name HB   ) (resi   58  and name HB1  ) 4.0 2.2 1.0 
assign (resi   41  and name HG*  ) (resi   42  and name HN   ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   42  and name HB#  ) 5.0 6.7 5.5 ! V41    Q42  
assign (resi   41  and name HG*  ) (resi   56  and name HN   ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   57  and name HN   ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   57  and name HA   ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   58  and name HN   ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   58  and name HB2  ) 5.0 5.7 4.5 ! V41   
assign (resi   41  and name HG*  ) (resi   64  and name HE#  ) 5.0 8.7 7.5 ! V41    Y64  

! residue Q42 
assign (resi   42  and name HN   ) (resi   42  and name HB2  ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   42  and name HB1  ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   42  and name HB#  ) 3.0 2.2 1.5 ! Q42   
assign (resi   42  and name HN   ) (resi   42  and name HG2  ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   42  and name HG1  ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   42  and name HG#  ) 3.0 2.2 1.5 ! Q42   
assign (resi   42  and name HN   ) (resi   43  and name HN   ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   43  and name HA   ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   56  and name HN   ) 3.0 1.2 0.5 
assign (resi   42  and name HN   ) (resi   56  and name HA   ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   56  and name HB2  ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   56  and name HB1  ) 3.0 1.2 0.5 
assign (resi   42  and name HN   ) (resi   56  and name HG#  ) 5.0 4.2 3.0 ! K56   
assign (resi   42  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   42  and name HA   ) (resi   42  and name HG2  ) 4.0 2.2 1.0 
assign (resi   42  and name HA   ) (resi   42  and name HG1  ) 4.0 2.2 1.0 
assign (resi   42  and name HA   ) (resi   43  and name HN   ) 2.7 0.9 0.2 
assign (resi   42  and name HA   ) (resi   43  and name HD#  ) 4.0 4.2 3.0 ! Y43   
assign (resi   42  and name HA   ) (resi   56  and name HN   ) 4.0 2.2 1.0 
assign (resi   42  and name HB2  ) (resi   42  and name HE21 ) 4.0 2.2 1.0 
assign (resi   42  and name HB2  ) (resi   42  and name HE22 ) 4.0 2.2 1.0 
assign (resi   42  and name HB2  ) (resi   43  and name HN   ) 3.0 1.2 0.5 
assign (resi   42  and name HB2  ) (resi   56  and name HN   ) 5.0 3.2 2.0 
assign (resi   42  and name HB1  ) (resi   42  and name HE21 ) 4.0 2.2 1.0 
assign (resi   42  and name HB1  ) (resi   42  and name HE22 ) 4.0 2.2 1.0 
assign (resi   42  and name HB1  ) (resi   43  and name HN   ) 3.0 1.2 0.5 
assign (resi   42  and name HB1  ) (resi   56  and name HN   ) 5.0 3.2 2.0 
assign (resi   42  and name HB#  ) (resi   42  and name HE#  ) 4.0 3.2 2.0 ! Q42   
assign (resi   42  and name HB#  ) (resi   43  and name HN   ) 2.7 1.9 1.2 ! Q42   
assign (resi   42  and name HG#  ) (resi   43  and name HN   ) 4.0 3.2 2.0 ! Q42   

! residue Y43 
assign (resi   43  and name HN   ) (resi   43  and name HB2  ) 4.0 2.2 1.0 
assign (resi   43  and name HN   ) (resi   43  and name HB1  ) 3.0 1.2 0.5 
assign (resi   43  and name HN   ) (resi   44  and name HN   ) 4.0 2.2 1.0 
assign (resi   43  and name HN   ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   43  and name HN   ) (resi   56  and name HN   ) 4.0 2.2 1.0 
assign (resi   43  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   43  and name HA   ) (resi   44  and name HN   ) 2.7 0.9 0.2 
assign (resi   43  and name HA   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! K44   
assign (resi   43  and name HA   ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   43  and name HA   ) (resi   55  and name HA   ) 3.0 1.2 0.5 
assign (resi   43  and name HA   ) (resi   56  and name HN   ) 3.0 1.2 0.5 
assign (resi   43  and name HA   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   43  and name HB2  ) (resi   44  and name HN   ) 2.7 0.9 0.2 
assign (resi   43  and name HB2  ) (resi   54  and name HN   ) 5.0 3.2 2.0 
assign (resi   43  and name HB2  ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   43  and name HB2  ) (resi   56  and name HN   ) 5.0 3.2 2.0 
assign (resi   43  and name HB1  ) (resi   44  and name HN   ) 3.0 1.2 0.5 
assign (resi   43  and name HB1  ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   43  and name HB1  ) (resi   56  and name HN   ) 5.0 3.2 2.0 
assign (resi   43  and name HD#  ) (resi   44  and name HN   ) 5.0 5.2 4.0 ! Y43   
assign (resi   43  and name HD#  ) (resi   45  and name HG2# ) 4.0 5.7 4.5 ! Y43    T45  
assign (resi   43  and name HD#  ) (resi   54  and name HN   ) 5.0 5.2 4.0 ! Y43   
assign (resi   43  and name HD#  ) (resi   55  and name HN   ) 5.0 5.2 4.0 ! Y43   
assign (resi   43  and name HE#  ) (resi   45  and name HG2# ) 5.0 7.7 6.5 ! Y43    T45  
assign (resi   43  and name HE#  ) (resi   53  and name HE#  ) 5.0 9.2 8.0 ! Y43    Y53  

! residue K44 
assign (resi   44  and name HN   ) (resi   44  and name HB2  ) 3.0 1.2 0.5 
assign (resi   44  and name HN   ) (resi   44  and name HB1  ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   44  and name HG2  ) 5.0 3.2 2.0 
assign (resi   44  and name HN   ) (resi   44  and name HG1  ) 5.0 3.2 2.0 
assign (resi   44  and name HN   ) (resi   44  and name HG#  ) 4.0 3.2 2.0 ! K44   
assign (resi   44  and name HN   ) (resi   45  and name HN   ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   45  and name HG2# ) 5.0 4.7 3.5 ! T45   
assign (resi   44  and name HN   ) (resi   54  and name HN   ) 2.7 0.9 0.2 
assign (resi   44  and name HN   ) (resi   54  and name HA   ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   54  and name HB#  ) 5.0 4.2 3.0 ! Y54   
assign (resi   44  and name HN   ) (resi   54  and name HD#  ) 5.0 5.2 4.0 ! Y54   
assign (resi   44  and name HN   ) (resi   55  and name HA   ) 3.0 1.2 0.5 
assign (resi   44  and name HN   ) (resi   55  and name HG1# ) 5.0 4.2 3.0 ! I55   
assign (resi   44  and name HA   ) (resi   44  and name HG#  ) 4.0 3.2 2.0 ! K44   
assign (resi   44  and name HA   ) (resi   45  and name HN   ) 2.7 0.9 0.2 
assign (resi   44  and name HA   ) (resi   45  and name HG2# ) 5.0 4.7 3.5 ! T45   
assign (resi   44  and name HB2  ) (resi   44  and name HE#  ) 5.0 4.2 3.0 ! K44   
assign (resi   44  and name HB2  ) (resi   45  and name HN   ) 3.0 1.2 0.5 
assign (resi   44  and name HB2  ) (resi   46  and name HA   ) 4.0 2.2 1.0 
assign (resi   44  and name HB2  ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   44  and name HB2  ) (resi   54  and name HB#  ) 5.0 4.2 3.0 ! Y54   
assign (resi   44  and name HB1  ) (resi   45  and name HN   ) 2.7 0.9 0.2 
assign (resi   44  and name HB1  ) (resi   54  and name HN   ) 5.0 3.2 2.0 
assign (resi   44  and name HB1  ) (resi   54  and name HB#  ) 5.0 4.2 3.0 ! Y54   
assign (resi   44  and name HG2  ) (resi   45  and name HN   ) 5.0 3.2 2.0 
assign (resi   44  and name HG1  ) (resi   45  and name HN   ) 5.0 3.2 2.0 
assign (resi   44  and name HG#  ) (resi   45  and name HN   ) 4.0 3.2 2.0 ! K44   
assign (resi   44  and name HG#  ) (resi   55  and name HN   ) 5.0 4.2 3.0 ! K44   
assign (resi   44  and name HE#  ) (resi   45  and name HN   ) 5.0 4.2 3.0 ! K44   

! residue T45 
assign (resi   45  and name HN   ) (resi   45  and name HB   ) 4.0 2.2 1.0 
assign (resi   45  and name HN   ) (resi   45  and name HG2# ) 4.0 3.7 2.5 ! T45   
assign (resi   45  and name HN   ) (resi   53  and name HD#  ) 5.0 5.2 4.0 ! Y53   
assign (resi   45  and name HN   ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   45  and name HA   ) (resi   45  and name HB   ) 2.7 0.9 0.2 
assign (resi   45  and name HA   ) (resi   46  and name HN   ) 2.7 0.9 0.2 
assign (resi   45  and name HA   ) (resi   51  and name HG2# ) 5.0 4.7 3.5 ! T51   
assign (resi   45  and name HA   ) (resi   53  and name HA   ) 3.0 1.2 0.5 
assign (resi   45  and name HA   ) (resi   53  and name HD#  ) 5.0 5.2 4.0 ! Y53   
assign (resi   45  and name HA   ) (resi   54  and name HD#  ) 4.0 4.2 3.0 ! Y54   
assign (resi   45  and name HB   ) (resi   46  and name HN   ) 2.7 0.9 0.2 
assign (resi   45  and name HB   ) (resi   51  and name HG2# ) 4.0 3.7 2.5 ! T51   
assign (resi   45  and name HG2# ) (resi   46  and name HN   ) 4.0 3.7 2.5 ! T45   
assign (resi   45  and name HG2# ) (resi   53  and name HA   ) 5.0 4.7 3.5 ! T45   
assign (resi   45  and name HG2# ) (resi   53  and name HE#  ) 5.0 7.7 6.5 ! T45    Y53  
assign (resi   45  and name HG2# ) (resi   54  and name HN   ) 5.0 4.7 3.5 ! T45   

! residue Q46 
assign (resi   46  and name HN   ) (resi   46  and name HB2  ) 3.0 1.2 0.5 
assign (resi   46  and name HN   ) (resi   46  and name HB1  ) 2.7 0.9 0.2 
assign (resi   46  and name HN   ) (resi   46  and name HG2  ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   46  and name HG1  ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   46  and name HG#  ) 4.0 3.2 2.0 ! Q46   
assign (resi   46  and name HN   ) (resi   47  and name HN   ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   51  and name HG2# ) 4.0 3.7 2.5 ! T51   
assign (resi   46  and name HN   ) (resi   52  and name HN   ) 3.0 1.2 0.5 
assign (resi   46  and name HN   ) (resi   52  and name HB2  ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   52  and name HB1  ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   52  and name HD#  ) 5.0 3.2 2.0 
assign (resi   46  and name HN   ) (resi   53  and name HA   ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
assign (resi   46  and name HA   ) (resi   46  and name HB1  ) 2.7 0.9 0.2 
assign (resi   46  and name HA   ) (resi   46  and name HG2  ) 4.0 2.2 1.0 
assign (resi   46  and name HA   ) (resi   46  and name HG1  ) 4.0 2.2 1.0 
assign (resi   46  and name HA   ) (resi   46  and name HG#  ) 3.0 2.2 1.5 ! Q46   
assign (resi   46  and name HA   ) (resi   47  and name HN   ) 2.7 0.9 0.2 
assign (resi   46  and name HA   ) (resi   47  and name HG*  ) 5.0 5.7 4.5 ! V47   
assign (resi   46  and name HB2  ) (resi   46  and name HE21 ) 4.0 2.2 1.0 
assign (resi   46  and name HB2  ) (resi   46  and name HE22 ) 4.0 2.2 1.0 
assign (resi   46  and name HB2  ) (resi   46  and name HE#  ) 4.0 2.2 1.0 
assign (resi   46  and name HB2  ) (resi   47  and name HN   ) 3.0 1.2 0.5 
assign (resi   46  and name HB2  ) (resi   52  and name HN   ) 5.0 3.2 2.0 
assign (resi   46  and name HB2  ) (resi   52  and name HB2  ) 4.0 2.2 1.0 
assign (resi   46  and name HB2  ) (resi   52  and name HD21 ) 5.0 3.2 2.0 
assign (resi   46  and name HB2  ) (resi   52  and name HD22 ) 5.0 3.2 2.0 
assign (resi   46  and name HB2  ) (resi   52  and name HD#  ) 5.0 3.2 2.0 
assign (resi   46  and name HB1  ) (resi   46  and name HE21 ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   46  and name HE22 ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   46  and name HE#  ) 3.0 1.2 0.5 
assign (resi   46  and name HB1  ) (resi   47  and name HN   ) 3.0 1.2 0.5 
assign (resi   46  and name HB1  ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   52  and name HB2  ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   52  and name HB1  ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   52  and name HD21 ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   52  and name HD22 ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   52  and name HD#  ) 4.0 2.2 1.0 
assign (resi   46  and name HG2  ) (resi   54  and name HE#  ) 4.0 5.2 4.0 ! Y54   
assign (resi   46  and name HG1  ) (resi   54  and name HE#  ) 4.0 5.2 4.0 ! Y54   
assign (resi   46  and name HG#  ) (resi   54  and name HE#  ) 4.0 6.2 5.0 ! Q46    Y54  
assign (resi   46  and name HE21 ) (resi   48  and name HG1# ) 5.0 4.7 3.5 ! V48   
assign (resi   46  and name HE21 ) (resi   48  and name HG2# ) 5.0 4.7 3.5 ! V48   
assign (resi   46  and name HE22 ) (resi   48  and name HG1# ) 5.0 4.7 3.5 ! V48   
assign (resi   46  and name HE22 ) (resi   48  and name HG2# ) 5.0 4.7 3.5 ! V48   
assign (resi   46  and name HE#  ) (resi   48  and name HG*  ) 5.0 5.7 4.5 ! V48   

! residue V47 
assign (resi   47  and name HN   ) (resi   47  and name HB   ) 2.7 0.9 0.2 
assign (resi   47  and name HN   ) (resi   47  and name HG1# ) 4.0 3.7 2.5 ! V47   
assign (resi   47  and name HN   ) (resi   47  and name HG2# ) 4.0 3.7 2.5 ! V47   
assign (resi   47  and name HN   ) (resi   48  and name HN   ) 4.0 2.2 1.0 
assign (resi   47  and name HN   ) (resi   48  and name HG*  ) 5.0 5.7 4.5 ! V48   
assign (resi   47  and name HN   ) (resi   51  and name HG2# ) 5.0 4.7 3.5 ! T51   
assign (resi   47  and name HA   ) (resi   48  and name HN   ) 2.7 0.9 0.2 
assign (resi   47  and name HA   ) (resi   51  and name HA   ) 2.7 0.9 0.2 
assign (resi   47  and name HA   ) (resi   51  and name HG2# ) 5.0 4.7 3.5 ! T51   
assign (resi   47  and name HA   ) (resi   52  and name HN   ) 3.0 1.2 0.5 
assign (resi   47  and name HB   ) (resi   48  and name HN   ) 4.0 2.2 1.0 
assign (resi   47  and name HG*  ) (resi   48  and name HN   ) 5.0 5.7 4.5 ! V47   
assign (resi   47  and name HG*  ) (resi   48  and name HA   ) 5.0 5.7 4.5 ! V47   
assign (resi   47  and name HG*  ) (resi   49  and name HN   ) 5.0 5.7 4.5 ! V47   
assign (resi   47  and name HG*  ) (resi   50  and name HN   ) 5.0 5.7 4.5 ! V47   
assign (resi   47  and name HG*  ) (resi   51  and name HA   ) 5.0 5.7 4.5 ! V47   
assign (resi   47  and name HG*  ) (resi   52  and name HN   ) 5.0 5.7 4.5 ! V47   

! residue V48 
assign (resi   48  and name HN   ) (resi   48  and name HB   ) 3.0 1.2 0.5 
assign (resi   48  and name HN   ) (resi   48  and name HG*  ) 4.0 4.7 3.5 ! V48   
assign (resi   48  and name HN   ) (resi   50  and name HN   ) 2.7 0.9 0.2 
assign (resi   48  and name HN   ) (resi   51  and name HA   ) 2.7 0.9 0.2 
assign (resi   48  and name HN   ) (resi   51  and name HG2# ) 5.0 4.7 3.5 ! T51   
assign (resi   48  and name HN   ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assign (resi   48  and name HA   ) (resi   48  and name HB   ) 2.7 0.9 0.2 
assign (resi   48  and name HA   ) (resi   49  and name HN   ) 2.7 0.9 0.2 
assign (resi   48  and name HB   ) (resi   49  and name HN   ) 2.7 0.9 0.2 
assign (resi   48  and name HB   ) (resi   49  and name HB#  ) 5.0 4.7 3.5 ! A49   
assign (resi   48  and name HB   ) (resi   50  and name HN   ) 4.0 2.2 1.0 
assign (resi   48  and name HG1# ) (resi   49  and name HN   ) 4.0 3.7 2.5 ! V48   
assign (resi   48  and name HG1# ) (resi   52  and name HN   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG1# ) (resi   52  and name HD21 ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG1# ) (resi   52  and name HD22 ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   49  and name HN   ) 4.0 3.7 2.5 ! V48   
assign (resi   48  and name HG2# ) (resi   52  and name HN   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   52  and name HD21 ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   52  and name HD22 ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG*  ) (resi   49  and name HN   ) 4.0 4.7 3.5 ! V48   
assign (resi   48  and name HG*  ) (resi   50  and name HN   ) 5.0 5.7 4.5 ! V48   
assign (resi   48  and name HG*  ) (resi   50  and name HA#  ) 5.0 6.7 5.5 ! V48    G50  
assign (resi   48  and name HG*  ) (resi   51  and name HN   ) 5.0 5.7 4.5 ! V48   
assign (resi   48  and name HG*  ) (resi   51  and name HA   ) 5.0 5.7 4.5 ! V48   
assign (resi   48  and name HG*  ) (resi   52  and name HN   ) 5.0 5.7 4.5 ! V48   
assign (resi   48  and name HG*  ) (resi   52  and name HD#  ) 4.0 4.7 3.5 ! V48   
assign (resi   48  and name HG*  ) (resi   70  and name HZ   ) 4.0 4.7 3.5 ! V48   

! residue A49 
assign (resi   49  and name HN   ) (resi   49  and name HA   ) 2.7 0.9 0.2 
assign (resi   49  and name HN   ) (resi   50  and name HN   ) 2.7 0.9 0.2 
assign (resi   49  and name HN   ) (resi   70  and name HZ   ) 5.0 3.2 2.0 
assign (resi   49  and name HA   ) (resi   50  and name HN   ) 2.7 0.9 0.2 
assign (resi   49  and name HA   ) (resi   73  and name HD*  ) 5.0 5.7 4.5 ! L73   

! residue G50 
assign (resi   50  and name HN   ) (resi   51  and name HN   ) 4.0 2.2 1.0 
assign (resi   50  and name HN   ) (resi   51  and name HA   ) 4.0 2.2 1.0 
assign (resi   50  and name HN   ) (resi   70  and name HZ   ) 4.0 2.2 1.0 
assign (resi   50  and name HN   ) (resi   73  and name HB#  ) 5.0 4.2 3.0 ! L73   
assign (resi   50  and name HN   ) (resi   73  and name HD*  ) 5.0 5.7 4.5 ! L73   
assign (resi   50  and name HA2  ) (resi   51  and name HN   ) 2.7 0.9 0.2 
assign (resi   50  and name HA2  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assign (resi   50  and name HA2  ) (resi   73  and name HG   ) 4.0 2.2 1.0 
assign (resi   50  and name HA2  ) (resi   73  and name HD1# ) 5.0 4.7 3.5 ! L73   
assign (resi   50  and name HA2  ) (resi   73  and name HD2# ) 5.0 4.7 3.5 ! L73   
assign (resi   50  and name HA1  ) (resi   51  and name HN   ) 2.7 0.9 0.2 
assign (resi   50  and name HA1  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assign (resi   50  and name HA1  ) (resi   73  and name HG   ) 4.0 2.2 1.0 
assign (resi   50  and name HA1  ) (resi   73  and name HD1# ) 5.0 4.7 3.5 ! L73   
assign (resi   50  and name HA1  ) (resi   73  and name HD2# ) 5.0 4.7 3.5 ! L73   
assign (resi   50  and name HA#  ) (resi   51  and name HN   ) 2.7 1.9 1.2 ! G50   
assign (resi   50  and name HA#  ) (resi   70  and name HZ   ) 2.7 1.9 1.2 ! G50   
assign (resi   50  and name HA#  ) (resi   72  and name HA   ) 3.0 2.2 1.5 ! G50   
assign (resi   50  and name HA#  ) (resi   73  and name HG   ) 4.0 3.2 2.0 ! G50   
assign (resi   50  and name HA#  ) (resi   73  and name HD*  ) 5.0 6.7 5.5 ! G50    L73  

! residue T51 
assign (resi   51  and name HN   ) (resi   51  and name HB   ) 2.7 0.9 0.2 
assign (resi   51  and name HN   ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   70  and name HA   ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   70  and name HZ   ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assign (resi   51  and name HN   ) (resi   71  and name HB2  ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   71  and name HB1  ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assign (resi   51  and name HN   ) (resi   73  and name HB#  ) 5.0 4.2 3.0 ! L73   
assign (resi   51  and name HN   ) (resi   73  and name HD*  ) 5.0 5.7 4.5 ! L73   
assign (resi   51  and name HA   ) (resi   52  and name HN   ) 2.7 0.9 0.2 
assign (resi   51  and name HB   ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assign (resi   51  and name HB   ) (resi   53  and name HE#  ) 4.0 5.2 4.0 ! Y53   
assign (resi   51  and name HB   ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assign (resi   51  and name HB   ) (resi   71  and name HB2  ) 4.0 2.2 1.0 
assign (resi   51  and name HB   ) (resi   71  and name HB1  ) 4.0 2.2 1.0 
assign (resi   51  and name HG2# ) (resi   52  and name HN   ) 4.0 3.7 2.5 ! T51   
assign (resi   51  and name HG2# ) (resi   52  and name HA   ) 5.0 4.7 3.5 ! T51   
assign (resi   51  and name HG2# ) (resi   53  and name HE#  ) 5.0 7.7 6.5 ! T51    Y53  
assign (resi   51  and name HG2# ) (resi   71  and name HN   ) 5.0 4.7 3.5 ! T51   

! residue N52 
assign (resi   52  and name HN   ) (resi   52  and name HB2  ) 2.7 0.9 0.2 
assign (resi   52  and name HN   ) (resi   52  and name HB1  ) 3.0 1.2 0.5 
assign (resi   52  and name HN   ) (resi   52  and name HD21 ) 5.0 3.2 2.0 
assign (resi   52  and name HN   ) (resi   52  and name HD22 ) 5.0 3.2 2.0 
assign (resi   52  and name HN   ) (resi   52  and name HD#  ) 5.0 3.2 2.0 
assign (resi   52  and name HN   ) (resi   53  and name HN   ) 4.0 2.2 1.0 
assign (resi   52  and name HN   ) (resi   70  and name HA   ) 4.0 2.2 1.0 
assign (resi   52  and name HA   ) (resi   53  and name HN   ) 2.7 0.9 0.2 
assign (resi   52  and name HA   ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   52  and name HA   ) (resi   70  and name HA   ) 3.0 1.2 0.5 
assign (resi   52  and name HA   ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assign (resi   52  and name HB2  ) (resi   52  and name HD21 ) 4.0 2.2 1.0 
assign (resi   52  and name HB2  ) (resi   52  and name HD22 ) 4.0 2.2 1.0 
assign (resi   52  and name HB2  ) (resi   52  and name HD#  ) 3.0 1.2 0.5 
assign (resi   52  and name HB2  ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
assign (resi   52  and name HB1  ) (resi   53  and name HN   ) 2.7 0.9 0.2 
assign (resi   52  and name HB1  ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
assign (resi   52  and name HB1  ) (resi   68  and name HG#  ) 5.0 4.2 3.0 ! K68   
assign (resi   52  and name HD21 ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
assign (resi   52  and name HD21 ) (resi   68  and name HE2  ) 5.0 3.2 2.0 
assign (resi   52  and name HD21 ) (resi   68  and name HE1  ) 5.0 3.2 2.0 
assign (resi   52  and name HD22 ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
assign (resi   52  and name HD22 ) (resi   68  and name HE2  ) 5.0 3.2 2.0 
assign (resi   52  and name HD22 ) (resi   68  and name HE1  ) 5.0 3.2 2.0 
assign (resi   52  and name HD#  ) (resi   68  and name HE#  ) 5.0 4.2 3.0 ! K68   

! residue Y53 
assign (resi   53  and name HN   ) (resi   53  and name HB2  ) 2.7 0.9 0.2 
assign (resi   53  and name HN   ) (resi   53  and name HB1  ) 3.0 1.2 0.5 
assign (resi   53  and name HN   ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HN   ) (resi   68  and name HG#  ) 5.0 4.2 3.0 ! K68   
assign (resi   53  and name HN   ) (resi   69  and name HN   ) 2.7 0.9 0.2 
assign (resi   53  and name HN   ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   53  and name HN   ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HN   ) (resi   70  and name HA   ) 3.0 1.2 0.5 
assign (resi   53  and name HN   ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HA   ) (resi   54  and name HN   ) 2.7 0.9 0.2 
assign (resi   53  and name HA   ) (resi   69  and name HB   ) 5.0 3.2 2.0 
assign (resi   53  and name HB2  ) (resi   54  and name HN   ) 3.0 1.2 0.5 
assign (resi   53  and name HB2  ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HB2  ) (resi   55  and name HG1# ) 5.0 4.2 3.0 ! I55   
assign (resi   53  and name HB2  ) (resi   68  and name HG#  ) 5.0 4.2 3.0 ! K68   
assign (resi   53  and name HB2  ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HB2  ) (resi   69  and name HB   ) 4.0 2.2 1.0 
assign (resi   53  and name HB2  ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   53  and name HB1  ) (resi   54  and name HN   ) 2.7 0.9 0.2 
assign (resi   53  and name HB1  ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HB1  ) (resi   69  and name HB   ) 4.0 2.2 1.0 
assign (resi   53  and name HB1  ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   53  and name HD#  ) (resi   68  and name HG#  ) 4.0 5.2 4.0 ! Y53    K68  
assign (resi   53  and name HD#  ) (resi   69  and name HN   ) 5.0 5.2 4.0 ! Y53   
assign (resi   53  and name HD#  ) (resi   69  and name HB   ) 4.0 4.2 3.0 ! Y53   
assign (resi   53  and name HD#  ) (resi   69  and name HG1# ) 5.0 6.7 5.5 ! Y53    V69  
assign (resi   53  and name HD#  ) (resi   69  and name HG2# ) 5.0 6.7 5.5 ! Y53    V69  
assign (resi   53  and name HD#  ) (resi   69  and name HG*  ) 5.0 7.7 6.5 ! Y53    V69  
assign (resi   53  and name HD#  ) (resi   71  and name HN   ) 5.0 5.2 4.0 ! Y53   
assign (resi   53  and name HD#  ) (resi   71  and name HB2  ) 4.0 4.2 3.0 ! Y53   
assign (resi   53  and name HE#  ) (resi   68  and name HG#  ) 4.0 6.2 5.0 ! Y53    K68  
assign (resi   53  and name HE#  ) (resi   71  and name HN   ) 5.0 6.2 5.0 ! Y53   
assign (resi   53  and name HE#  ) (resi   71  and name HB2  ) 4.0 5.2 4.0 ! Y53   
assign (resi   53  and name HE#  ) (resi   71  and name HB1  ) 4.0 5.2 4.0 ! Y53   
assign (resi   53  and name HE#  ) (resi   71  and name HD#  ) 5.0 7.2 6.0 ! Y53    K71  

! residue Y54 
assign (resi   54  and name HN   ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assign (resi   54  and name HN   ) (resi   55  and name HG1# ) 5.0 4.2 3.0 ! I55   
assign (resi   54  and name HN   ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   54  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   54  and name HA   ) (resi   55  and name HN   ) 2.7 0.9 0.2 
assign (resi   54  and name HA   ) (resi   55  and name HG1# ) 5.0 4.2 3.0 ! I55   
assign (resi   54  and name HA   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   54  and name HA   ) (resi   67  and name HD*  ) 5.0 5.7 4.5 ! L67   
assign (resi   54  and name HA   ) (resi   68  and name HA   ) 3.0 1.2 0.5 
assign (resi   54  and name HA   ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   54  and name HB#  ) (resi   68  and name HG#  ) 5.0 5.2 4.0 ! Y54    K68  
assign (resi   54  and name HD#  ) (resi   55  and name HN   ) 5.0 5.2 4.0 ! Y54   
assign (resi   54  and name HD#  ) (resi   98  and name HN   ) 5.0 5.2 4.0 ! Y54   
assign (resi   54  and name HD#  ) (resi   98  and name HD#  ) 5.0 7.2 6.0 ! Y54    F98  
assign (resi   54  and name HD#  ) (resi   98  and name HE#  ) 5.0 8.2 7.0 ! Y54    F98  
assign (resi   54  and name HE#  ) (resi   68  and name HD#  ) 5.0 7.2 6.0 ! Y54    K68  
assign (resi   54  and name HE#  ) (resi   98  and name HN   ) 5.0 6.2 5.0 ! Y54   
assign (resi   54  and name HE#  ) (resi   98  and name HD#  ) 5.0 8.2 7.0 ! Y54    F98  

! residue I55 
assign (resi   55  and name HN   ) (resi   55  and name HB   ) 2.7 0.9 0.2 
assign (resi   55  and name HN   ) (resi   55  and name HG1# ) 4.0 3.2 2.0 ! I55   
assign (resi   55  and name HN   ) (resi   55  and name HD#  ) 5.0 3.2 2.0 
assign (resi   55  and name HN   ) (resi   66  and name HA   ) 4.0 2.2 1.0 
assign (resi   55  and name HN   ) (resi   67  and name HN   ) 2.7 0.9 0.2 
assign (resi   55  and name HN   ) (resi   67  and name HB1  ) 5.0 3.2 2.0 
assign (resi   55  and name HN   ) (resi   67  and name HG   ) 4.0 2.2 1.0 
assign (resi   55  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   55  and name HA   ) (resi   56  and name HN   ) 2.7 0.9 0.2 
assign (resi   55  and name HA   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   55  and name HB   ) (resi   67  and name HN   ) 4.0 2.2 1.0 

! residue K56 
assign (resi   56  and name HN   ) (resi   56  and name HB2  ) 3.0 1.2 0.5 
assign (resi   56  and name HN   ) (resi   56  and name HB1  ) 2.7 0.9 0.2 
assign (resi   56  and name HN   ) (resi   56  and name HG2  ) 4.0 2.2 1.0 
assign (resi   56  and name HN   ) (resi   56  and name HG1  ) 4.0 2.2 1.0 
assign (resi   56  and name HN   ) (resi   56  and name HG#  ) 4.0 3.2 2.0 ! K56   
assign (resi   56  and name HN   ) (resi   57  and name HN   ) 4.0 2.2 1.0 
assign (resi   56  and name HN   ) (resi   95  and name HD1# ) 5.0 4.7 3.5 ! L95   
assign (resi   56  and name HN   ) (resi   95  and name HD2# ) 5.0 4.7 3.5 ! L95   
assign (resi   56  and name HN   ) (resi   95  and name HD*  ) 4.0 4.7 3.5 ! L95   
assign (resi   56  and name HA   ) (resi   57  and name HN   ) 2.7 0.9 0.2 
assign (resi   56  and name HA   ) (resi   66  and name HA   ) 3.0 1.2 0.5 
assign (resi   56  and name HA   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   56  and name HA   ) (resi   67  and name HD*  ) 5.0 5.7 4.5 ! L67   
assign (resi   56  and name HA   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   56  and name HB2  ) (resi   56  and name HE#  ) 5.0 4.2 3.0 ! K56   
assign (resi   56  and name HB2  ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   56  and name HG#  ) (resi   57  and name HN   ) 4.0 3.2 2.0 ! K56   
assign (resi   56  and name HG#  ) (resi   64  and name HD#  ) 5.0 6.2 5.0 ! K56    Y64  
assign (resi   56  and name HG#  ) (resi   64  and name HE#  ) 5.0 7.2 6.0 ! K56    Y64  

! residue V57 
assign (resi   57  and name HN   ) (resi   57  and name HB   ) 2.7 0.9 0.2 
assign (resi   57  and name HN   ) (resi   57  and name HG1# ) 4.0 3.7 2.5 ! V57   
assign (resi   57  and name HN   ) (resi   57  and name HG2# ) 4.0 3.7 2.5 ! V57   
assign (resi   57  and name HN   ) (resi   57  and name HG*  ) 4.0 4.7 3.5 ! V57   
assign (resi   57  and name HN   ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   57  and name HN   ) (resi   64  and name HA   ) 4.0 2.2 1.0 
assign (resi   57  and name HN   ) (resi   65  and name HN   ) 2.7 0.9 0.2 
assign (resi   57  and name HN   ) (resi   65  and name HB2  ) 4.0 2.2 1.0 
assign (resi   57  and name HN   ) (resi   65  and name HB1  ) 4.0 2.2 1.0 
assign (resi   57  and name HN   ) (resi   66  and name HA   ) 3.0 1.2 0.5 
assign (resi   57  and name HA   ) (resi   58  and name HN   ) 2.7 0.9 0.2 
assign (resi   57  and name HG*  ) (resi   58  and name HN   ) 5.0 5.7 4.5 ! V57   
assign (resi   57  and name HG*  ) (resi   65  and name HB2  ) 5.0 5.7 4.5 ! V57   

! residue R58 
assign (resi   58  and name HN   ) (resi   58  and name HB2  ) 2.7 0.9 0.2 
assign (resi   58  and name HN   ) (resi   58  and name HB1  ) 2.7 0.9 0.2 
assign (resi   58  and name HN   ) (resi   58  and name HG#  ) 4.0 3.2 2.0 ! R58   
assign (resi   58  and name HN   ) (resi   59  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HN   ) (resi   64  and name HD#  ) 5.0 5.2 4.0 ! Y64   
assign (resi   58  and name HN   ) (resi   64  and name HE#  ) 5.0 6.2 5.0 ! Y64   
assign (resi   58  and name HA   ) (resi   58  and name HG2  ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   58  and name HG1  ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   58  and name HG#  ) 3.0 2.2 1.5 ! R58   
assign (resi   58  and name HA   ) (resi   59  and name HN   ) 2.7 0.9 0.2 
assign (resi   58  and name HA   ) (resi   60  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   63  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   64  and name HA   ) 3.0 1.2 0.5 
assign (resi   58  and name HA   ) (resi   64  and name HD#  ) 5.0 5.2 4.0 ! Y64   
assign (resi   58  and name HA   ) (resi   65  and name HN   ) 3.0 1.2 0.5 
assign (resi   58  and name HB2  ) (resi   59  and name HN   ) 3.0 1.2 0.5 
assign (resi   58  and name HB2  ) (resi   62  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HB2  ) (resi   64  and name HA   ) 5.0 3.2 2.0 
assign (resi   58  and name HB2  ) (resi   64  and name HE#  ) 4.0 5.2 4.0 ! Y64   
assign (resi   58  and name HB1  ) (resi   59  and name HN   ) 3.0 1.2 0.5 
assign (resi   58  and name HB1  ) (resi   64  and name HD#  ) 4.0 4.2 3.0 ! Y64   
assign (resi   58  and name HB1  ) (resi   64  and name HE#  ) 4.0 5.2 4.0 ! Y64   
assign (resi   58  and name HG2  ) (resi   60  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HG1  ) (resi   60  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HG#  ) (resi   59  and name HN   ) 4.0 3.2 2.0 ! R58   
assign (resi   58  and name HG#  ) (resi   59  and name HA   ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HG#  ) (resi   60  and name HN   ) 4.0 3.2 2.0 ! R58   
assign (resi   58  and name HG#  ) (resi   61  and name HA   ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HG#  ) (resi   63  and name HN   ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HG#  ) (resi   64  and name HB1  ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HG#  ) (resi   64  and name HE#  ) 5.0 7.2 6.0 ! R58    Y64  
assign (resi   58  and name HD#  ) (resi   61  and name HA   ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HD#  ) (resi   64  and name HE#  ) 5.0 7.2 6.0 ! R58    Y64  

! residue A59 
assign (resi   59  and name HN   ) (resi   60  and name HN   ) 2.7 0.9 0.2 
assign (resi   59  and name HN   ) (resi   62  and name HA   ) 4.0 2.2 1.0 
assign (resi   59  and name HN   ) (resi   63  and name HN   ) 4.0 2.2 1.0 
assign (resi   59  and name HN   ) (resi   63  and name HB#  ) 4.0 3.2 2.0 ! K63   
assign (resi   59  and name HN   ) (resi   64  and name HN   ) 4.0 2.2 1.0 
assign (resi   59  and name HN   ) (resi   64  and name HA   ) 2.7 0.9 0.2 
assign (resi   59  and name HN   ) (resi   64  and name HD#  ) 5.0 5.2 4.0 ! Y64   
assign (resi   59  and name HN   ) (resi   65  and name HD1# ) 5.0 4.7 3.5 ! L65   
assign (resi   59  and name HN   ) (resi   65  and name HD2# ) 5.0 4.7 3.5 ! L65   
assign (resi   59  and name HA   ) (resi   60  and name HN   ) 2.7 0.9 0.2 
assign (resi   59  and name HB#  ) (resi   60  and name HN   ) 4.0 3.7 2.5 ! A59   
assign (resi   59  and name HB#  ) (resi   61  and name HN   ) 5.0 4.7 3.5 ! A59   
assign (resi   59  and name HB#  ) (resi   63  and name HN   ) 5.0 4.7 3.5 ! A59   
assign (resi   59  and name HB#  ) (resi   63  and name HA   ) 5.0 4.7 3.5 ! A59   
assign (resi   59  and name HB#  ) (resi   63  and name HB#  ) 5.0 5.7 4.5 ! A59    K63  
assign (resi   59  and name HB#  ) (resi   64  and name HN   ) 5.0 4.7 3.5 ! A59   

! residue G60 
assign (resi   60  and name HN   ) (resi   60  and name HA2  ) 2.7 0.9 0.2 
assign (resi   60  and name HN   ) (resi   60  and name HA1  ) 2.7 0.9 0.2 
assign (resi   60  and name HN   ) (resi   61  and name HN   ) 3.0 1.2 0.5 
assign (resi   60  and name HN   ) (resi   61  and name HA   ) 4.0 2.2 1.0 
assign (resi   60  and name HN   ) (resi   63  and name HN   ) 4.0 2.2 1.0 
assign (resi   60  and name HN   ) (resi   63  and name HB#  ) 4.0 3.2 2.0 ! K63   
assign (resi   60  and name HA2  ) (resi   61  and name HN   ) 2.7 0.9 0.2 
assign (resi   60  and name HA2  ) (resi   62  and name HN   ) 4.0 2.2 1.0 
assign (resi   60  and name HA2  ) (resi   63  and name HB2  ) 5.0 3.2 2.0 
assign (resi   60  and name HA2  ) (resi   63  and name HB1  ) 5.0 3.2 2.0 
assign (resi   60  and name HA1  ) (resi   61  and name HN   ) 2.7 0.9 0.2 
assign (resi   60  and name HA1  ) (resi   62  and name HN   ) 4.0 2.2 1.0 
assign (resi   60  and name HA1  ) (resi   63  and name HB2  ) 5.0 3.2 2.0 
assign (resi   60  and name HA1  ) (resi   63  and name HB1  ) 5.0 3.2 2.0 
assign (resi   60  and name HA#  ) (resi   62  and name HN   ) 4.0 3.2 2.0 ! G60   
assign (resi   60  and name HA#  ) (resi   63  and name HN   ) 4.0 3.2 2.0 ! G60   
assign (resi   60  and name HA#  ) (resi   63  and name HB#  ) 4.0 4.2 3.0 ! G60    K63  

! residue D61 
assign (resi   61  and name HN   ) (resi   61  and name HA   ) 2.7 0.9 0.2 
assign (resi   61  and name HN   ) (resi   61  and name HB#  ) 4.0 3.2 2.0 ! D61   
assign (resi   61  and name HN   ) (resi   63  and name HN   ) 4.0 2.2 1.0 
assign (resi   61  and name HA   ) (resi   62  and name HN   ) 2.7 0.9 0.2 
assign (resi   61  and name HA   ) (resi   63  and name HN   ) 4.0 2.2 1.0 
assign (resi   61  and name HB#  ) (resi   62  and name HN   ) 4.0 3.2 2.0 ! D61   
assign (resi   61  and name HB#  ) (resi   63  and name HN   ) 5.0 4.2 3.0 ! D61   

! residue N62 
assign (resi   62  and name HN   ) (resi   62  and name HA   ) 2.7 0.9 0.2 
assign (resi   62  and name HN   ) (resi   62  and name HB2  ) 3.0 1.2 0.5 
assign (resi   62  and name HN   ) (resi   62  and name HB1  ) 3.0 1.2 0.5 
assign (resi   62  and name HN   ) (resi   62  and name HD#  ) 5.0 3.2 2.0 
assign (resi   62  and name HN   ) (resi   63  and name HN   ) 2.7 0.9 0.2 
assign (resi   62  and name HN   ) (resi   63  and name HA   ) 4.0 2.2 1.0 
assign (resi   62  and name HN   ) (resi   63  and name HB#  ) 4.0 3.2 2.0 ! K63   
assign (resi   62  and name HN   ) (resi   63  and name HG#  ) 5.0 4.2 3.0 ! K63   
assign (resi   62  and name HN   ) (resi   64  and name HE#  ) 5.0 6.2 5.0 ! Y64   
assign (resi   62  and name HA   ) (resi   62  and name HB2  ) 2.7 0.9 0.2 
assign (resi   62  and name HA   ) (resi   62  and name HB1  ) 2.7 0.9 0.2 
assign (resi   62  and name HA   ) (resi   63  and name HN   ) 3.0 1.2 0.5 
assign (resi   62  and name HA   ) (resi   64  and name HE#  ) 4.0 5.2 4.0 ! Y64   
assign (resi   62  and name HB2  ) (resi   63  and name HN   ) 4.0 2.2 1.0 

! residue K63 
assign (resi   63  and name HN   ) (resi   63  and name HB2  ) 2.7 0.9 0.2 
assign (resi   63  and name HN   ) (resi   63  and name HB1  ) 3.0 1.2 0.5 
assign (resi   63  and name HN   ) (resi   63  and name HG2  ) 4.0 2.2 1.0 
assign (resi   63  and name HN   ) (resi   63  and name HG1  ) 4.0 2.2 1.0 
assign (resi   63  and name HN   ) (resi   63  and name HG#  ) 4.0 3.2 2.0 ! K63   
assign (resi   63  and name HN   ) (resi   63  and name HE#  ) 5.0 4.2 3.0 ! K63   
assign (resi   63  and name HN   ) (resi   64  and name HN   ) 4.0 2.2 1.0 
assign (resi   63  and name HN   ) (resi   64  and name HE#  ) 5.0 6.2 5.0 ! Y64   
assign (resi   63  and name HA   ) (resi   63  and name HB2  ) 2.7 0.9 0.2 
assign (resi   63  and name HA   ) (resi   63  and name HB1  ) 2.7 0.9 0.2 
assign (resi   63  and name HA   ) (resi   63  and name HG2  ) 4.0 2.2 1.0 
assign (resi   63  and name HA   ) (resi   63  and name HG1  ) 4.0 2.2 1.0 
assign (resi   63  and name HA   ) (resi   64  and name HN   ) 2.7 0.9 0.2 
assign (resi   63  and name HA   ) (resi   64  and name HD#  ) 4.0 4.2 3.0 ! Y64   
assign (resi   63  and name HB2  ) (resi   64  and name HN   ) 2.7 0.9 0.2 
assign (resi   63  and name HB1  ) (resi   64  and name HN   ) 2.7 0.9 0.2 
assign (resi   63  and name HB#  ) (resi   63  and name HE#  ) 5.0 5.2 4.0 ! K63    K63  
assign (resi   63  and name HG2  ) (resi   64  and name HN   ) 5.0 3.2 2.0 
assign (resi   63  and name HG1  ) (resi   64  and name HN   ) 5.0 3.2 2.0 
assign (resi   63  and name HG#  ) (resi   64  and name HN   ) 4.0 3.2 2.0 ! K63   

! residue Y64 
assign (resi   64  and name HN   ) (resi   64  and name HB2  ) 3.0 1.2 0.5 
assign (resi   64  and name HN   ) (resi   64  and name HB1  ) 3.0 1.2 0.5 
assign (resi   64  and name HN   ) (resi   65  and name HN   ) 4.0 2.2 1.0 
assign (resi   64  and name HN   ) (resi   88  and name HA   ) 4.0 2.2 1.0 
assign (resi   64  and name HN   ) (resi   88  and name HB2  ) 5.0 3.2 2.0 
assign (resi   64  and name HN   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assign (resi   64  and name HN   ) (resi   89  and name HB2  ) 5.0 3.2 2.0 
assign (resi   64  and name HN   ) (resi   90  and name HA   ) 4.0 2.2 1.0 
assign (resi   64  and name HA   ) (resi   65  and name HN   ) 2.7 0.9 0.2 
assign (resi   64  and name HA   ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
assign (resi   64  and name HB2  ) (resi   65  and name HN   ) 3.0 1.2 0.5 
assign (resi   64  and name HB2  ) (resi   89  and name HG#  ) 5.0 4.2 3.0 ! K89   
assign (resi   64  and name HB2  ) (resi   90  and name HA   ) 5.0 3.2 2.0 
assign (resi   64  and name HB1  ) (resi   65  and name HN   ) 2.7 0.9 0.2 
assign (resi   64  and name HB1  ) (resi   89  and name HG#  ) 5.0 4.2 3.0 ! K89   
assign (resi   64  and name HD#  ) (resi   65  and name HN   ) 5.0 5.2 4.0 ! Y64   
assign (resi   64  and name HD#  ) (resi   90  and name HA   ) 4.0 4.2 3.0 ! Y64   
assign (resi   64  and name HD#  ) (resi   91  and name HN   ) 5.0 5.2 4.0 ! Y64   
assign (resi   64  and name HD#  ) (resi   91  and name HA   ) 4.0 4.2 3.0 ! Y64   
assign (resi   64  and name HD#  ) (resi   91  and name HG#  ) 5.0 6.2 5.0 ! Y64    K91  
assign (resi   64  and name HE#  ) (resi   91  and name HN   ) 5.0 6.2 5.0 ! Y64   
assign (resi   64  and name HE#  ) (resi   91  and name HA   ) 4.0 5.2 4.0 ! Y64   
assign (resi   64  and name HE#  ) (resi   91  and name HB#  ) 5.0 7.2 6.0 ! Y64    K91  

! residue L65 
assign (resi   65  and name HN   ) (resi   65  and name HB2  ) 2.7 0.9 0.2 
assign (resi   65  and name HN   ) (resi   65  and name HB1  ) 3.0 1.2 0.5 
assign (resi   65  and name HN   ) (resi   65  and name HG   ) 4.0 2.2 1.0 
assign (resi   65  and name HN   ) (resi   65  and name HD1# ) 4.0 3.7 2.5 ! L65   
assign (resi   65  and name HN   ) (resi   65  and name HD2# ) 4.0 3.7 2.5 ! L65   
assign (resi   65  and name HN   ) (resi   65  and name HD*  ) 4.0 4.7 3.5 ! L65   
assign (resi   65  and name HA   ) (resi   65  and name HB1  ) 2.7 0.9 0.2 
assign (resi   65  and name HA   ) (resi   65  and name HG   ) 3.0 1.2 0.5 
assign (resi   65  and name HA   ) (resi   65  and name HD1# ) 5.0 4.7 3.5 ! L65   
assign (resi   65  and name HA   ) (resi   65  and name HD2# ) 5.0 4.7 3.5 ! L65   
assign (resi   65  and name HA   ) (resi   66  and name HN   ) 2.7 0.9 0.2 
assign (resi   65  and name HA   ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HA   ) (resi   87  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HA   ) (resi   87  and name HA   ) 3.0 1.2 0.5 
assign (resi   65  and name HA   ) (resi   88  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HA   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HA   ) (resi   89  and name HG#  ) 5.0 4.2 3.0 ! K89   
assign (resi   65  and name HA   ) (resi   89  and name HD#  ) 5.0 4.2 3.0 ! K89   
assign (resi   65  and name HB2  ) (resi   66  and name HN   ) 3.0 1.2 0.5 
assign (resi   65  and name HB2  ) (resi   86  and name HN   ) 5.0 3.2 2.0 
assign (resi   65  and name HB2  ) (resi   87  and name HA   ) 5.0 3.2 2.0 
assign (resi   65  and name HB1  ) (resi   66  and name HN   ) 2.7 0.9 0.2 
assign (resi   65  and name HB1  ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HG   ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assign (resi   65  and name HG   ) (resi   88  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HG   ) (resi   89  and name HN   ) 5.0 3.2 2.0 
assign (resi   65  and name HD1# ) (resi   87  and name HA   ) 5.0 4.7 3.5 ! L65   
assign (resi   65  and name HD2# ) (resi   87  and name HA   ) 5.0 4.7 3.5 ! L65   
assign (resi   65  and name HD*  ) (resi   66  and name HN   ) 5.0 5.7 4.5 ! L65   
assign (resi   65  and name HD*  ) (resi   87  and name HA   ) 5.0 5.7 4.5 ! L65   
assign (resi   65  and name HD*  ) (resi   87  and name HB   ) 5.0 5.7 4.5 ! L65   
assign (resi   65  and name HD*  ) (resi   88  and name HN   ) 5.0 5.7 4.5 ! L65   

! residue H66 
assign (resi   66  and name HN   ) (resi   66  and name HB2  ) 3.0 1.2 0.5 
assign (resi   66  and name HN   ) (resi   66  and name HB1  ) 3.0 1.2 0.5 
assign (resi   66  and name HN   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   85  and name HA   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   85  and name HB2  ) 5.0 3.2 2.0 
assign (resi   66  and name HN   ) (resi   86  and name HN   ) 3.0 1.2 0.5 
assign (resi   66  and name HN   ) (resi   86  and name HB2  ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   86  and name HG#  ) 5.0 4.2 3.0 ! Q86   
assign (resi   66  and name HN   ) (resi   87  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   89  and name HB2  ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   89  and name HG2  ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   89  and name HG1  ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   89  and name HG#  ) 4.0 3.2 2.0 ! K89   
assign (resi   66  and name HA   ) (resi   67  and name HN   ) 2.7 0.9 0.2 
assign (resi   66  and name HA   ) (resi   67  and name HG   ) 4.0 2.2 1.0 
assign (resi   66  and name HB2  ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HB2  ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HB2  ) (resi   86  and name HB2  ) 5.0 3.2 2.0 
assign (resi   66  and name HB1  ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HB1  ) (resi   86  and name HN   ) 5.0 3.2 2.0 
assign (resi   66  and name HB1  ) (resi   98  and name HE#  ) 4.0 5.2 4.0 ! F98   

! residue L67 
assign (resi   67  and name HN   ) (resi   67  and name HB2  ) 2.7 0.9 0.2 
assign (resi   67  and name HN   ) (resi   67  and name HB1  ) 3.0 1.2 0.5 
assign (resi   67  and name HN   ) (resi   67  and name HG   ) 2.7 0.9 0.2 
assign (resi   67  and name HN   ) (resi   67  and name HD1# ) 5.0 4.7 3.5 ! L67   
assign (resi   67  and name HN   ) (resi   67  and name HD2# ) 5.0 4.7 3.5 ! L67   
assign (resi   67  and name HN   ) (resi   67  and name HD*  ) 4.0 4.7 3.5 ! L67   
assign (resi   67  and name HN   ) (resi   68  and name HN   ) 4.0 2.2 1.0 
assign (resi   67  and name HN   ) (resi   85  and name HA   ) 4.0 2.2 1.0 
assign (resi   67  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   67  and name HA   ) (resi   67  and name HG   ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   67  and name HD1# ) 5.0 4.7 3.5 ! L67   
assign (resi   67  and name HA   ) (resi   67  and name HD2# ) 5.0 4.7 3.5 ! L67   
assign (resi   67  and name HA   ) (resi   68  and name HN   ) 2.7 0.9 0.2 
assign (resi   67  and name HA   ) (resi   68  and name HB1  ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   67  and name HA   ) (resi   84  and name HN   ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   85  and name HN   ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   85  and name HA   ) 3.0 1.2 0.5 
assign (resi   67  and name HA   ) (resi   85  and name HB2  ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   85  and name HB1  ) 4.0 2.2 1.0 
assign (resi   67  and name HA   ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assign (resi   67  and name HB2  ) (resi   68  and name HN   ) 2.7 0.9 0.2 
assign (resi   67  and name HB2  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   67  and name HB1  ) (resi   68  and name HN   ) 2.7 0.9 0.2 
assign (resi   67  and name HB1  ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   67  and name HB1  ) (resi   86  and name HB2  ) 4.0 2.2 1.0 
assign (resi   67  and name HD*  ) (resi   86  and name HN   ) 5.0 5.7 4.5 ! L67   

! residue K68 
assign (resi   68  and name HN   ) (resi   68  and name HA   ) 2.7 0.9 0.2 
assign (resi   68  and name HN   ) (resi   68  and name HB2  ) 2.7 0.9 0.2 
assign (resi   68  and name HN   ) (resi   68  and name HB1  ) 2.7 0.9 0.2 
assign (resi   68  and name HN   ) (resi   68  and name HG2  ) 5.0 3.2 2.0 
assign (resi   68  and name HN   ) (resi   68  and name HG1  ) 5.0 3.2 2.0 
assign (resi   68  and name HN   ) (resi   68  and name HG#  ) 4.0 3.2 2.0 ! K68   
assign (resi   68  and name HN   ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HN   ) (resi   82  and name HG   ) 5.0 3.2 2.0 
assign (resi   68  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   68  and name HN   ) (resi   83  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HN   ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assign (resi   68  and name HN   ) (resi   84  and name HA#  ) 4.0 3.2 2.0 ! G84   
assign (resi   68  and name HN   ) (resi   85  and name HA   ) 3.0 1.2 0.5 
assign (resi   68  and name HN   ) (resi   85  and name HB2  ) 5.0 3.2 2.0 
assign (resi   68  and name HN   ) (resi   85  and name HB1  ) 4.0 2.2 1.0 
assign (resi   68  and name HN   ) (resi   85  and name HD#  ) 5.0 5.2 4.0 ! Y85   
assign (resi   68  and name HN   ) (resi   98  and name HE#  ) 5.0 6.2 5.0 ! F98   
assign (resi   68  and name HN   ) (resi   98  and name HZ   ) 4.0 2.2 1.0 
assign (resi   68  and name HA   ) (resi   69  and name HN   ) 2.7 0.9 0.2 
assign (resi   68  and name HA   ) (resi   69  and name HB   ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   83  and name HA   ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   84  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   85  and name HA   ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   85  and name HB2  ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   85  and name HB1  ) 4.0 2.2 1.0 
assign (resi   68  and name HB1  ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HB1  ) (resi   82  and name HB2  ) 3.0 1.2 0.5 
assign (resi   68  and name HB1  ) (resi   83  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HB1  ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assign (resi   68  and name HB1  ) (resi   84  and name HA2  ) 5.0 3.2 2.0 
assign (resi   68  and name HB1  ) (resi   84  and name HA1  ) 5.0 3.2 2.0 
assign (resi   68  and name HB1  ) (resi   84  and name HA#  ) 5.0 4.2 3.0 ! G84   
assign (resi   68  and name HB1  ) (resi   85  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HG#  ) (resi   69  and name HN   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HG#  ) (resi   70  and name HA   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HG#  ) (resi   84  and name HN   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HD2  ) (resi   83  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HD1  ) (resi   83  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HD#  ) (resi   83  and name HN   ) 4.0 3.2 2.0 ! K68   
assign (resi   68  and name HD#  ) (resi   84  and name HN   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HD#  ) (resi   98  and name HN   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HD#  ) (resi   98  and name HE#  ) 5.0 7.2 6.0 ! K68    F98  

! residue V69 
assign (resi   69  and name HN   ) (resi   69  and name HA   ) 2.7 0.9 0.2 
assign (resi   69  and name HN   ) (resi   69  and name HB   ) 2.7 0.9 0.2 
assign (resi   69  and name HN   ) (resi   69  and name HG1# ) 4.0 3.7 2.5 ! V69   
assign (resi   69  and name HN   ) (resi   69  and name HG2# ) 4.0 3.7 2.5 ! V69   
assign (resi   69  and name HN   ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assign (resi   69  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   69  and name HA   ) (resi   70  and name HN   ) 2.7 0.9 0.2 
assign (resi   69  and name HA   ) (resi   70  and name HB#  ) 4.0 3.2 2.0 ! F70   
assign (resi   69  and name HA   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   69  and name HB   ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assign (resi   69  and name HG*  ) (resi   70  and name HN   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   71  and name HN   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   71  and name HA   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   71  and name HB2  ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   81  and name HN   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   85  and name HD#  ) 5.0 7.7 6.5 ! V69    Y85  

! residue F70 
assign (resi   70  and name HN   ) (resi   70  and name HB2  ) 2.7 0.9 0.2 
assign (resi   70  and name HN   ) (resi   70  and name HB1  ) 2.7 0.9 0.2 
assign (resi   70  and name HN   ) (resi   70  and name HB#  ) 2.7 1.9 1.2 ! F70   
assign (resi   70  and name HN   ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assign (resi   70  and name HN   ) (resi   81  and name HN   ) 3.0 1.2 0.5 
assign (resi   70  and name HN   ) (resi   81  and name HA   ) 4.0 2.2 1.0 
assign (resi   70  and name HN   ) (resi   81  and name HB   ) 4.0 2.2 1.0 
assign (resi   70  and name HN   ) (resi   81  and name HG1# ) 5.0 4.7 3.5 ! V81   
assign (resi   70  and name HN   ) (resi   81  and name HG2# ) 5.0 4.7 3.5 ! V81   
assign (resi   70  and name HN   ) (resi   81  and name HG*  ) 5.0 5.7 4.5 ! V81   
assign (resi   70  and name HN   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assign (resi   70  and name HN   ) (resi   83  and name HN   ) 3.0 1.2 0.5 
assign (resi   70  and name HN   ) (resi   83  and name HG2# ) 4.0 3.7 2.5 ! T83   
assign (resi   70  and name HA   ) (resi   71  and name HN   ) 2.7 0.9 0.2 
assign (resi   70  and name HB2  ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assign (resi   70  and name HB2  ) (resi   81  and name HN   ) 5.0 3.2 2.0 
assign (resi   70  and name HB2  ) (resi   81  and name HB   ) 4.0 2.2 1.0 
assign (resi   70  and name HB2  ) (resi   83  and name HG2# ) 4.0 3.7 2.5 ! T83   
assign (resi   70  and name HB1  ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assign (resi   70  and name HB1  ) (resi   81  and name HN   ) 5.0 3.2 2.0 
assign (resi   70  and name HB1  ) (resi   81  and name HB   ) 4.0 2.2 1.0 
assign (resi   70  and name HB1  ) (resi   83  and name HG2# ) 4.0 3.7 2.5 ! T83   
assign (resi   70  and name HB#  ) (resi   71  and name HN   ) 4.0 3.2 2.0 ! F70   
assign (resi   70  and name HB#  ) (resi   81  and name HN   ) 4.0 3.2 2.0 ! F70   
assign (resi   70  and name HB#  ) (resi   81  and name HB   ) 4.0 3.2 2.0 ! F70   
assign (resi   70  and name HD#  ) (resi   71  and name HN   ) 5.0 5.2 4.0 ! F70   
assign (resi   70  and name HD#  ) (resi   72  and name HN   ) 5.0 5.2 4.0 ! F70   
assign (resi   70  and name HD#  ) (resi   81  and name HN   ) 5.0 5.2 4.0 ! F70   
assign (resi   70  and name HD#  ) (resi   81  and name HB   ) 4.0 4.2 3.0 ! F70   
assign (resi   70  and name HD#  ) (resi   81  and name HG1# ) 5.0 6.7 5.5 ! F70    V81  
assign (resi   70  and name HD#  ) (resi   81  and name HG2# ) 5.0 6.7 5.5 ! F70    V81  
assign (resi   70  and name HD#  ) (resi   81  and name HG*  ) 5.0 7.7 6.5 ! F70    V81  
assign (resi   70  and name HD#  ) (resi   83  and name HG2# ) 5.0 6.7 5.5 ! F70    T83  
assign (resi   70  and name HE#  ) (resi   72  and name HA   ) 4.0 5.2 4.0 ! F70   
assign (resi   70  and name HE#  ) (resi   73  and name HN   ) 5.0 6.2 5.0 ! F70   
assign (resi   70  and name HZ   ) (resi   72  and name HA   ) 2.7 0.9 0.2 
assign (resi   70  and name HZ   ) (resi   72  and name HB#  ) 3.0 2.2 1.5 ! S72   
assign (resi   70  and name HZ   ) (resi   73  and name HN   ) 5.0 3.2 2.0 

! residue K71 
assign (resi   71  and name HN   ) (resi   71  and name HB2  ) 2.7 0.9 0.2 
assign (resi   71  and name HN   ) (resi   71  and name HB1  ) 2.7 0.9 0.2 
assign (resi   71  and name HN   ) (resi   71  and name HG#  ) 5.0 4.2 3.0 ! K71   
assign (resi   71  and name HN   ) (resi   71  and name HD#  ) 5.0 4.2 3.0 ! K71   
assign (resi   71  and name HN   ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assign (resi   71  and name HN   ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assign (resi   71  and name HN   ) (resi   80  and name HA   ) 4.0 2.2 1.0 
assign (resi   71  and name HA   ) (resi   71  and name HB2  ) 2.7 0.9 0.2 
assign (resi   71  and name HA   ) (resi   71  and name HG2  ) 4.0 2.2 1.0 
assign (resi   71  and name HA   ) (resi   71  and name HG1  ) 4.0 2.2 1.0 
assign (resi   71  and name HA   ) (resi   71  and name HD#  ) 5.0 4.2 3.0 ! K71   
assign (resi   71  and name HA   ) (resi   72  and name HN   ) 2.7 0.9 0.2 
assign (resi   71  and name HA   ) (resi   80  and name HA   ) 3.0 1.2 0.5 
assign (resi   71  and name HA   ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assign (resi   71  and name HB2  ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assign (resi   71  and name HB2  ) (resi   80  and name HA   ) 5.0 3.2 2.0 
assign (resi   71  and name HG#  ) (resi   72  and name HN   ) 4.0 3.2 2.0 ! K71   
assign (resi   71  and name HD#  ) (resi   80  and name HN   ) 5.0 4.2 3.0 ! K71   

! residue S72 
assign (resi   72  and name HN   ) (resi   72  and name HA   ) 2.7 0.9 0.2 
assign (resi   72  and name HN   ) (resi   79  and name HB2  ) 5.0 3.2 2.0 
assign (resi   72  and name HN   ) (resi   80  and name HA   ) 4.0 2.2 1.0 
assign (resi   72  and name HN   ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   72  and name HN   ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assign (resi   72  and name HN   ) (resi   81  and name HG*  ) 5.0 5.7 4.5 ! V81   
assign (resi   72  and name HA   ) (resi   73  and name HN   ) 2.7 0.9 0.2 
assign (resi   72  and name HB#  ) (resi   73  and name HN   ) 4.0 3.2 2.0 ! S72   
assign (resi   72  and name HB#  ) (resi   79  and name HN   ) 5.0 4.2 3.0 ! S72   

! residue L73 
assign (resi   73  and name HN   ) (resi   73  and name HA   ) 2.7 0.9 0.2 
assign (resi   73  and name HN   ) (resi   73  and name HB#  ) 3.0 2.2 1.5 ! L73   
assign (resi   73  and name HN   ) (resi   73  and name HG   ) 2.7 0.9 0.2 
assign (resi   73  and name HN   ) (resi   73  and name HD1# ) 4.0 3.7 2.5 ! L73   
assign (resi   73  and name HN   ) (resi   73  and name HD2# ) 4.0 3.7 2.5 ! L73   
assign (resi   73  and name HN   ) (resi   74  and name HA   ) 4.0 2.2 1.0 
assign (resi   73  and name HN   ) (resi   74  and name HD2  ) 4.0 2.2 1.0 
assign (resi   73  and name HN   ) (resi   74  and name HD1  ) 4.0 2.2 1.0 
assign (resi   73  and name HN   ) (resi   74  and name HD#  ) 4.0 3.2 2.0 ! P74   
assign (resi   73  and name HN   ) (resi   76  and name HB#  ) 4.0 3.2 2.0 ! Q76   
assign (resi   73  and name HN   ) (resi   76  and name HG#  ) 5.0 4.2 3.0 ! Q76   
assign (resi   73  and name HN   ) (resi   78  and name HN   ) 3.0 1.2 0.5 
assign (resi   73  and name HN   ) (resi   78  and name HA   ) 3.0 1.2 0.5 
assign (resi   73  and name HA   ) (resi   73  and name HG   ) 2.7 0.9 0.2 
assign (resi   73  and name HA   ) (resi   73  and name HD1# ) 4.0 3.7 2.5 ! L73   
assign (resi   73  and name HA   ) (resi   73  and name HD2# ) 4.0 3.7 2.5 ! L73   
assign (resi   73  and name HA   ) (resi   74  and name HB#  ) 4.0 3.2 2.0 ! P74   
assign (resi   73  and name HA   ) (resi   74  and name HD2  ) 3.0 1.2 0.5 
assign (resi   73  and name HA   ) (resi   74  and name HD1  ) 3.0 1.2 0.5 
assign (resi   73  and name HA   ) (resi   74  and name HD#  ) 2.7 1.9 1.2 ! P74   
assign (resi   73  and name HA   ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assign (resi   73  and name HA   ) (resi   78  and name HB2  ) 5.0 3.2 2.0 
assign (resi   73  and name HB#  ) (resi   74  and name HD2  ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   74  and name HD1  ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   74  and name HD#  ) 5.0 5.2 4.0 ! L73    P74  
assign (resi   73  and name HB#  ) (resi   75  and name HN   ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   76  and name HN   ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   76  and name HE#  ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HD1# ) (resi   76  and name HE21 ) 5.0 4.7 3.5 ! L73   
assign (resi   73  and name HD1# ) (resi   76  and name HE22 ) 5.0 4.7 3.5 ! L73   
assign (resi   73  and name HD2# ) (resi   76  and name HE21 ) 5.0 4.7 3.5 ! L73   
assign (resi   73  and name HD2# ) (resi   76  and name HE22 ) 5.0 4.7 3.5 ! L73   
assign (resi   73  and name HD*  ) (resi   76  and name HE#  ) 5.0 5.7 4.5 ! L73   

! residue P74 
assign (resi   74  and name HA   ) (resi   75  and name HN   ) 3.0 1.2 0.5 
assign (resi   74  and name HB2  ) (resi   75  and name HN   ) 3.0 1.2 0.5 
assign (resi   74  and name HB1  ) (resi   75  and name HN   ) 3.0 1.2 0.5 
assign (resi   74  and name HB#  ) (resi   75  and name HN   ) 3.0 2.2 1.5 ! P74   
assign (resi   74  and name HG#  ) (resi   75  and name HN   ) 5.0 4.2 3.0 ! P74   
assign (resi   74  and name HD#  ) (resi   75  and name HN   ) 5.0 4.2 3.0 ! P74   

! residue G75 
assign (resi   75  and name HN   ) (resi   75  and name HA2  ) 2.7 0.9 0.2 
assign (resi   75  and name HN   ) (resi   75  and name HA1  ) 2.7 0.9 0.2 
assign (resi   75  and name HN   ) (resi   75  and name HA#  ) 2.7 1.9 1.2 ! G75   
assign (resi   75  and name HN   ) (resi   76  and name HN   ) 2.7 0.9 0.2 
assign (resi   75  and name HA2  ) (resi   76  and name HN   ) 2.7 0.9 0.5 
assign (resi   75  and name HA1  ) (resi   76  and name HN   ) 2.7 0.9 0.5 
assign (resi   75  and name HA#  ) (resi   76  and name HN   ) 2.7 1.9 1.2 ! G75   

! residue Q76 
assign (resi   76  and name HN   ) (resi   76  and name HB2  ) 3.0 1.2 0.5 
assign (resi   76  and name HN   ) (resi   76  and name HB1  ) 3.0 1.2 0.5 
assign (resi   76  and name HN   ) (resi   76  and name HB#  ) 2.7 1.9 1.2 ! Q76   
assign (resi   76  and name HN   ) (resi   76  and name HG#  ) 4.0 3.2 2.0 ! Q76   
assign (resi   76  and name HN   ) (resi   77  and name HN   ) 2.7 0.9 0.2 
assign (resi   76  and name HA   ) (resi   76  and name HE#  ) 5.0 3.2 2.0 
assign (resi   76  and name HA   ) (resi   77  and name HN   ) 3.0 1.2 0.5 
assign (resi   76  and name HB2  ) (resi   77  and name HN   ) 3.0 1.2 0.5 
assign (resi   76  and name HB1  ) (resi   77  and name HN   ) 3.0 1.2 0.5 
assign (resi   76  and name HB#  ) (resi   77  and name HN   ) 2.7 1.9 1.2 ! Q76   
assign (resi   76  and name HG#  ) (resi   77  and name HN   ) 5.0 4.2 3.0 ! Q76   

! residue N77 
assign (resi   77  and name HN   ) (resi   77  and name HA   ) 2.7 0.9 0.2 
assign (resi   77  and name HN   ) (resi   77  and name HB2  ) 3.0 1.2 0.5 
assign (resi   77  and name HN   ) (resi   77  and name HB1  ) 2.7 0.9 0.2 
assign (resi   77  and name HN   ) (resi   77  and name HD#  ) 5.0 3.2 2.0 
assign (resi   77  and name HN   ) (resi   78  and name HN   ) 2.7 0.9 0.2 
assign (resi   77  and name HA   ) (resi   77  and name HB2  ) 2.7 0.9 0.2 
assign (resi   77  and name HA   ) (resi   77  and name HB1  ) 2.7 0.9 0.2 
assign (resi   77  and name HA   ) (resi   78  and name HN   ) 2.7 0.9 0.2 
assign (resi   77  and name HB2  ) (resi   78  and name HN   ) 4.0 2.2 1.0 
assign (resi   77  and name HB2  ) (resi   79  and name HN   ) 4.0 2.2 1.0 
assign (resi   77  and name HB1  ) (resi   78  and name HN   ) 4.0 2.2 1.0 

! residue E78 
assign (resi   78  and name HN   ) (resi   78  and name HB2  ) 2.7 0.9 0.2 
assign (resi   78  and name HN   ) (resi   78  and name HB1  ) 2.7 0.9 0.2 
assign (resi   78  and name HN   ) (resi   78  and name HG#  ) 5.0 4.2 3.0 ! E78   
assign (resi   78  and name HN   ) (resi   79  and name HN   ) 2.7 0.9 0.2 
assign (resi   78  and name HA   ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assign (resi   78  and name HB2  ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assign (resi   78  and name HB1  ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assign (resi   78  and name HG#  ) (resi   79  and name HN   ) 5.0 4.2 3.0 ! E78   

! residue D79 
assign (resi   79  and name HN   ) (resi   79  and name HA   ) 2.7 0.9 0.2 
assign (resi   79  and name HN   ) (resi   79  and name HB2  ) 2.7 0.9 0.2 
assign (resi   79  and name HN   ) (resi   79  and name HB1  ) 3.0 1.2 0.5 
assign (resi   79  and name HN   ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   79  and name HA   ) (resi   79  and name HB2  ) 2.7 0.9 0.2 
assign (resi   79  and name HA   ) (resi   79  and name HB1  ) 2.7 0.9 0.2 
assign (resi   79  and name HA   ) (resi   80  and name HN   ) 2.7 0.9 0.2 
assign (resi   79  and name HB2  ) (resi   80  and name HN   ) 3.0 1.2 0.5 
assign (resi   79  and name HB1  ) (resi   80  and name HN   ) 2.7 0.9 0.2 

! residue L80 
assign (resi   80  and name HN   ) (resi   80  and name HB2  ) 2.7 0.9 0.2 
assign (resi   80  and name HN   ) (resi   80  and name HB1  ) 3.0 1.2 0.5 
assign (resi   80  and name HN   ) (resi   80  and name HG   ) 4.0 2.2 1.0 
assign (resi   80  and name HN   ) (resi   80  and name HD1# ) 4.0 3.7 2.5 ! L80   
assign (resi   80  and name HN   ) (resi   80  and name HD2# ) 4.0 3.7 2.5 ! L80   
assign (resi   80  and name HN   ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assign (resi   80  and name HN   ) (resi   81  and name HG*  ) 5.0 5.7 4.5 ! V81   
assign (resi   80  and name HA   ) (resi   80  and name HG   ) 4.0 2.2 1.0 
assign (resi   80  and name HA   ) (resi   80  and name HD1# ) 5.0 4.7 3.5 ! L80   
assign (resi   80  and name HA   ) (resi   80  and name HD2# ) 5.0 4.7 3.5 ! L80   
assign (resi   80  and name HA   ) (resi   81  and name HN   ) 2.7 0.9 0.2 
assign (resi   80  and name HA   ) (resi   81  and name HG*  ) 5.0 5.7 4.5 ! V81   
assign (resi   80  and name HB2  ) (resi   81  and name HN   ) 3.0 1.2 0.5 
assign (resi   80  and name HB1  ) (resi   81  and name HN   ) 3.0 1.2 0.5 

! residue V81 
assign (resi   81  and name HN   ) (resi   81  and name HB   ) 2.7 0.9 0.2 
assign (resi   81  and name HN   ) (resi   81  and name HG1# ) 4.0 3.7 2.5 ! V81   
assign (resi   81  and name HN   ) (resi   81  and name HG2# ) 4.0 3.7 2.5 ! V81   
assign (resi   81  and name HN   ) (resi   81  and name HG*  ) 4.0 4.7 3.5 ! V81   
assign (resi   81  and name HA   ) (resi   82  and name HN   ) 2.7 0.9 0.2 

! residue L82 
assign (resi   82  and name HN   ) (resi   82  and name HB2  ) 2.7 0.9 0.2 
assign (resi   82  and name HN   ) (resi   82  and name HB1  ) 2.7 0.9 0.2 
assign (resi   82  and name HN   ) (resi   82  and name HG   ) 4.0 2.2 1.0 
assign (resi   82  and name HN   ) (resi   82  and name HD1# ) 4.0 3.7 2.5 ! L82   
assign (resi   82  and name HN   ) (resi   82  and name HD2# ) 4.0 3.7 2.5 ! L82   
assign (resi   82  and name HN   ) (resi   82  and name HD*  ) 4.0 4.7 3.5 ! L82   
assign (resi   82  and name HA   ) (resi   82  and name HB2  ) 2.7 0.9 0.2 
assign (resi   82  and name HA   ) (resi   82  and name HD1# ) 4.0 3.7 2.5 ! L82   
assign (resi   82  and name HA   ) (resi   82  and name HD2# ) 4.0 3.7 2.5 ! L82   
assign (resi   82  and name HA   ) (resi   82  and name HD*  ) 4.0 4.7 3.5 ! L82   
assign (resi   82  and name HA   ) (resi   83  and name HN   ) 2.7 0.9 0.2 
assign (resi   82  and name HA   ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assign (resi   82  and name HB1  ) (resi   83  and name HN   ) 4.0 2.2 1.0 
assign (resi   82  and name HB1  ) (resi   84  and name HN   ) 4.0 2.2 1.0 
assign (resi   82  and name HG   ) (resi   83  and name HN   ) 4.0 2.2 1.0 
assign (resi   82  and name HG   ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assign (resi   82  and name HD1# ) (resi   85  and name HD#  ) 5.0 6.7 5.5 ! L82    Y85  
assign (resi   82  and name HD2# ) (resi   85  and name HD#  ) 5.0 6.7 5.5 ! L82    Y85  
assign (resi   82  and name HD*  ) (resi   83  and name HN   ) 5.0 5.7 4.5 ! L82   
assign (resi   82  and name HD*  ) (resi   85  and name HN   ) 5.0 5.7 4.5 ! L82   
assign (resi   82  and name HD*  ) (resi   85  and name HB2  ) 5.0 5.7 4.5 ! L82   
assign (resi   82  and name HD*  ) (resi   85  and name HB1  ) 5.0 5.7 4.5 ! L82   
assign (resi   82  and name HD*  ) (resi   85  and name HD#  ) 5.0 7.7 6.5 ! L82    Y85  
assign (resi   82  and name HD*  ) (resi   85  and name HE#  ) 5.0 8.7 7.5 ! L82    Y85  

! residue T83 
assign (resi   83  and name HN   ) (resi   83  and name HB   ) 4.0 2.2 1.0 
assign (resi   83  and name HN   ) (resi   83  and name HG2# ) 4.0 3.7 2.5 ! T83   
assign (resi   83  and name HN   ) (resi   84  and name HN   ) 2.7 0.9 0.2 
assign (resi   83  and name HA   ) (resi   83  and name HB   ) 2.7 0.9 0.2 
assign (resi   83  and name HA   ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assign (resi   83  and name HB   ) (resi   84  and name HN   ) 4.0 2.2 1.0 
assign (resi   83  and name HG2# ) (resi   84  and name HN   ) 4.0 3.7 2.5 ! T83   

! residue G84 
assign (resi   84  and name HN   ) (resi   85  and name HD#  ) 5.0 5.2 4.0 ! Y85   
assign (resi   84  and name HA2  ) (resi   85  and name HN   ) 2.7 0.9 0.2 
assign (resi   84  and name HA1  ) (resi   85  and name HN   ) 2.7 0.9 0.2 
assign (resi   84  and name HA#  ) (resi   85  and name HN   ) 2.7 1.9 1.2 ! G84   
assign (resi   84  and name HA#  ) (resi   98  and name HE#  ) 5.0 7.2 6.0 ! G84    F98  

! residue Y85 
assign (resi   85  and name HN   ) (resi   85  and name HB2  ) 3.0 1.2 0.5 
assign (resi   85  and name HN   ) (resi   85  and name HB1  ) 3.0 1.2 0.5 
assign (resi   85  and name HN   ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assign (resi   85  and name HN   ) (resi   98  and name HD#  ) 5.0 5.2 4.0 ! F98   
assign (resi   85  and name HN   ) (resi   98  and name HE#  ) 5.0 6.2 5.0 ! F98   
assign (resi   85  and name HN   ) (resi   98  and name HZ   ) 5.0 3.2 2.0 
assign (resi   85  and name HA   ) (resi   85  and name HB2  ) 2.7 0.9 0.2 
assign (resi   85  and name HA   ) (resi   85  and name HB1  ) 2.7 0.9 0.2 
assign (resi   85  and name HA   ) (resi   86  and name HN   ) 2.7 0.9 0.2 
assign (resi   85  and name HA   ) (resi   98  and name HE#  ) 4.0 5.2 4.0 ! F98   
assign (resi   85  and name HA   ) (resi   98  and name HZ   ) 2.7 0.9 0.2 
assign (resi   85  and name HB2  ) (resi   86  and name HN   ) 2.7 0.9 0.2 
assign (resi   85  and name HB1  ) (resi   86  and name HN   ) 3.0 1.2 0.5 
assign (resi   85  and name HD#  ) (resi   86  and name HN   ) 5.0 5.2 4.0 ! Y85   
assign (resi   85  and name HD#  ) (resi   87  and name HG*  ) 5.0 7.7 6.5 ! Y85    V87  
assign (resi   85  and name HE#  ) (resi   87  and name HG*  ) 5.0 8.7 7.5 ! Y85    V87  

! residue Q86 
assign (resi   86  and name HN   ) (resi   86  and name HB2  ) 3.0 1.2 0.5 
assign (resi   86  and name HN   ) (resi   86  and name HB1  ) 3.0 1.2 0.5 
assign (resi   86  and name HN   ) (resi   86  and name HG2  ) 4.0 2.2 1.0 
assign (resi   86  and name HN   ) (resi   86  and name HG1  ) 4.0 2.2 1.0 
assign (resi   86  and name HN   ) (resi   86  and name HG#  ) 4.0 3.2 2.0 ! Q86   
assign (resi   86  and name HN   ) (resi   86  and name HE#  ) 5.0 3.2 2.0 
assign (resi   86  and name HN   ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
assign (resi   86  and name HN   ) (resi   98  and name HE#  ) 5.0 6.2 5.0 ! F98   
assign (resi   86  and name HA   ) (resi   86  and name HB1  ) 2.7 0.9 0.2 
assign (resi   86  and name HA   ) (resi   86  and name HG#  ) 4.0 3.2 2.0 ! Q86   
assign (resi   86  and name HA   ) (resi   87  and name HN   ) 2.7 0.9 0.2 
assign (resi   86  and name HA   ) (resi   89  and name HD#  ) 4.0 3.2 2.0 ! K89   
assign (resi   86  and name HB2  ) (resi   87  and name HN   ) 4.0 2.2 1.0 
assign (resi   86  and name HB1  ) (resi   86  and name HE21 ) 4.0 2.2 1.0 
assign (resi   86  and name HB1  ) (resi   86  and name HE22 ) 4.0 2.2 1.0 
assign (resi   86  and name HB1  ) (resi   87  and name HN   ) 2.7 0.9 0.2 
assign (resi   86  and name HE21 ) (resi   98  and name HB2  ) 5.0 3.2 2.0 
assign (resi   86  and name HE21 ) (resi   98  and name HB1  ) 5.0 3.2 2.0 
assign (resi   86  and name HE22 ) (resi   98  and name HB2  ) 5.0 3.2 2.0 
assign (resi   86  and name HE22 ) (resi   98  and name HB1  ) 5.0 3.2 2.0 
assign (resi   86  and name HE#  ) (resi   98  and name HB#  ) 4.0 3.2 2.0 ! F98   
assign (resi   86  and name HE#  ) (resi   98  and name HD#  ) 5.0 5.2 4.0 ! F98   

! residue V87 
assign (resi   87  and name HN   ) (resi   87  and name HB   ) 3.0 1.2 0.5 
assign (resi   87  and name HN   ) (resi   87  and name HG1# ) 4.0 3.7 2.5 ! V87   
assign (resi   87  and name HN   ) (resi   87  and name HG2# ) 4.0 3.7 2.5 ! V87   
assign (resi   87  and name HN   ) (resi   87  and name HG*  ) 4.0 4.7 3.5 ! V87   
assign (resi   87  and name HN   ) (resi   88  and name HN   ) 3.0 1.2 0.5 
assign (resi   87  and name HN   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assign (resi   87  and name HA   ) (resi   87  and name HB   ) 2.7 0.9 0.2 
assign (resi   87  and name HA   ) (resi   88  and name HN   ) 2.7 0.9 0.2 
assign (resi   87  and name HA   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assign (resi   87  and name HA   ) (resi   89  and name HG#  ) 5.0 4.2 3.0 ! K89   
assign (resi   87  and name HB   ) (resi   88  and name HN   ) 2.7 0.9 0.2 
assign (resi   87  and name HG1# ) (resi   88  and name HN   ) 4.0 3.7 2.5 ! V87   
assign (resi   87  and name HG2# ) (resi   88  and name HN   ) 4.0 3.7 2.5 ! V87   
assign (resi   87  and name HG*  ) (resi   88  and name HN   ) 4.0 4.7 3.5 ! V87   
assign (resi   87  and name HG*  ) (resi   88  and name HB2  ) 5.0 5.7 4.5 ! V87   
assign (resi   87  and name HG*  ) (resi   88  and name HB1  ) 5.0 5.7 4.5 ! V87   

! residue D88 
assign (resi   88  and name HN   ) (resi   88  and name HA   ) 2.7 0.9 0.2 
assign (resi   88  and name HN   ) (resi   88  and name HB2  ) 3.0 1.2 0.5 
assign (resi   88  and name HN   ) (resi   88  and name HB1  ) 3.0 1.2 0.5 
assign (resi   88  and name HN   ) (resi   89  and name HN   ) 3.0 1.2 0.5 
assign (resi   88  and name HA   ) (resi   88  and name HB1  ) 2.7 0.9 0.2 
assign (resi   88  and name HA   ) (resi   89  and name HN   ) 2.7 0.9 0.2 

! residue K89 
assign (resi   89  and name HN   ) (resi   89  and name HB2  ) 3.0 1.2 0.5 
assign (resi   89  and name HN   ) (resi   89  and name HB1  ) 4.0 2.2 1.0 
assign (resi   89  and name HN   ) (resi   89  and name HG2  ) 4.0 2.2 1.0 
assign (resi   89  and name HN   ) (resi   89  and name HG1  ) 4.0 2.2 1.0 
assign (resi   89  and name HN   ) (resi   89  and name HG#  ) 4.0 3.2 2.0 ! K89   
assign (resi   89  and name HN   ) (resi   89  and name HD2  ) 4.0 2.2 1.0 
assign (resi   89  and name HN   ) (resi   89  and name HD1  ) 4.0 2.2 1.0 
assign (resi   89  and name HN   ) (resi   89  and name HD#  ) 4.0 3.2 2.0 ! K89   
assign (resi   89  and name HN   ) (resi   89  and name HE#  ) 5.0 4.2 3.0 ! K89   
assign (resi   89  and name HN   ) (resi   90  and name HD#  ) 5.0 3.2 2.0 
assign (resi   89  and name HA   ) (resi   89  and name HD2  ) 3.0 1.2 0.5 
assign (resi   89  and name HA   ) (resi   89  and name HD1  ) 3.0 1.2 0.5 
assign (resi   89  and name HA   ) (resi   89  and name HE#  ) 4.0 3.2 2.0 ! K89   
assign (resi   89  and name HA   ) (resi   90  and name HN   ) 2.7 0.9 0.2 
assign (resi   89  and name HB2  ) (resi   90  and name HN   ) 3.0 1.2 0.5 
assign (resi   89  and name HB2  ) (resi   94  and name HN   ) 5.0 3.2 2.0 
assign (resi   89  and name HB1  ) (resi   89  and name HE#  ) 5.0 4.2 3.0 ! K89   
assign (resi   89  and name HB1  ) (resi   90  and name HN   ) 2.7 0.9 0.2 
assign (resi   89  and name HB1  ) (resi   93  and name HN   ) 4.0 2.2 1.0 
assign (resi   89  and name HG#  ) (resi   90  and name HN   ) 5.0 4.2 3.0 ! K89   
assign (resi   89  and name HD#  ) (resi   93  and name HN   ) 5.0 4.2 3.0 ! K89   
assign (resi   89  and name HD#  ) (resi   98  and name HD#  ) 5.0 6.2 5.0 ! K89    F98  

! residue N90 
assign (resi   90  and name HN   ) (resi   90  and name HD21 ) 5.0 3.2 2.0 
assign (resi   90  and name HN   ) (resi   90  and name HD22 ) 5.0 3.2 2.0 
assign (resi   90  and name HN   ) (resi   91  and name HN   ) 4.0 2.2 1.0 
assign (resi   90  and name HN   ) (resi   92  and name HN   ) 4.0 2.2 1.0 
assign (resi   90  and name HN   ) (resi   93  and name HN   ) 4.0 2.2 1.0 
assign (resi   90  and name HN   ) (resi   93  and name HB2  ) 3.0 1.2 0.5 
assign (resi   90  and name HA   ) (resi   91  and name HN   ) 2.7 0.9 0.2 
assign (resi   90  and name HA   ) (resi   92  and name HN   ) 4.0 2.2 1.0 
assign (resi   90  and name HB#  ) (resi   91  and name HN   ) 4.0 3.2 2.0 ! N90   

! residue K91 
assign (resi   91  and name HN   ) (resi   91  and name HB2  ) 2.7 0.9 0.2 
assign (resi   91  and name HN   ) (resi   91  and name HB1  ) 2.7 0.9 0.2 
assign (resi   91  and name HN   ) (resi   91  and name HG2  ) 4.0 2.2 1.0 
assign (resi   91  and name HN   ) (resi   91  and name HG1  ) 4.0 2.2 1.0 
assign (resi   91  and name HN   ) (resi   91  and name HD#  ) 5.0 4.2 3.0 ! K91   
assign (resi   91  and name HN   ) (resi   92  and name HN   ) 2.7 0.9 0.2 
assign (resi   91  and name HN   ) (resi   92  and name HB2  ) 4.0 2.2 1.0 
assign (resi   91  and name HN   ) (resi   93  and name HN   ) 4.0 2.2 1.0 
assign (resi   91  and name HA   ) (resi   91  and name HG2  ) 3.0 1.2 0.5 
assign (resi   91  and name HA   ) (resi   91  and name HG1  ) 3.0 1.2 0.5 
assign (resi   91  and name HA   ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assign (resi   91  and name HB2  ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assign (resi   91  and name HB1  ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assign (resi   91  and name HB#  ) (resi   92  and name HN   ) 2.7 1.9 1.2 ! K91   
assign (resi   91  and name HG#  ) (resi   92  and name HN   ) 4.0 3.2 2.0 ! K91   
assign (resi   91  and name HD#  ) (resi   92  and name HN   ) 5.0 4.2 3.0 ! K91   

! residue D92 
assign (resi   92  and name HN   ) (resi   92  and name HB2  ) 2.7 0.9 0.2 
assign (resi   92  and name HN   ) (resi   92  and name HB1  ) 2.7 0.9 0.2 
assign (resi   92  and name HN   ) (resi   93  and name HN   ) 2.7 0.9 0.2 
assign (resi   92  and name HA   ) (resi   92  and name HB1  ) 2.7 0.9 0.2 

! residue D93 
assign (resi   93  and name HN   ) (resi   93  and name HB2  ) 2.7 0.9 0.2 
assign (resi   93  and name HN   ) (resi   93  and name HB1  ) 2.7 0.9 0.2 
assign (resi   93  and name HN   ) (resi   94  and name HN   ) 4.0 2.2 1.0 
assign (resi   93  and name HA   ) (resi   94  and name HN   ) 2.7 0.9 0.2 
assign (resi   93  and name HA   ) (resi   94  and name HB2  ) 4.0 2.2 1.0 
assign (resi   93  and name HB2  ) (resi   94  and name HN   ) 4.0 2.2 1.0 
assign (resi   93  and name HB1  ) (resi   94  and name HN   ) 3.0 1.2 0.5 

! residue E94 
assign (resi   94  and name HN   ) (resi   94  and name HB2  ) 2.7 0.9 0.2 
assign (resi   94  and name HN   ) (resi   94  and name HB1  ) 2.7 0.9 0.2 
assign (resi   94  and name HN   ) (resi   94  and name HG#  ) 5.0 4.2 3.0 ! E94   
assign (resi   94  and name HA   ) (resi   94  and name HB2  ) 2.7 0.9 0.2 
assign (resi   94  and name HA   ) (resi   95  and name HN   ) 2.7 0.9 0.2 
assign (resi   94  and name HB2  ) (resi   95  and name HN   ) 4.0 2.2 1.0 
assign (resi   94  and name HB1  ) (resi   95  and name HN   ) 3.0 1.2 0.5 
assign (resi   94  and name HB1  ) (resi   98  and name HD#  ) 4.0 4.2 3.0 ! F98   
assign (resi   94  and name HG#  ) (resi   95  and name HN   ) 5.0 4.2 3.0 ! E94   

! residue L95 
assign (resi   95  and name HN   ) (resi   95  and name HB2  ) 2.7 0.9 0.2 
assign (resi   95  and name HN   ) (resi   95  and name HB1  ) 3.0 1.2 0.5 
assign (resi   95  and name HN   ) (resi   95  and name HG   ) 3.0 1.2 0.5 
assign (resi   95  and name HN   ) (resi   95  and name HD1# ) 5.0 4.7 3.5 ! L95   
assign (resi   95  and name HN   ) (resi   95  and name HD2# ) 5.0 4.7 3.5 ! L95   
assign (resi   95  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   95  and name HN   ) (resi   96  and name HN   ) 3.0 1.2 0.5 
assign (resi   95  and name HN   ) (resi   98  and name HB#  ) 4.0 3.2 2.0 ! F98   
assign (resi   95  and name HA   ) (resi   95  and name HG   ) 4.0 2.2 1.0 
assign (resi   95  and name HA   ) (resi   95  and name HD1# ) 4.0 3.7 2.5 ! L95   
assign (resi   95  and name HA   ) (resi   95  and name HD2# ) 4.0 3.7 2.5 ! L95   
assign (resi   95  and name HA   ) (resi   96  and name HN   ) 3.0 1.2 0.5 
assign (resi   95  and name HB2  ) (resi   96  and name HN   ) 4.0 2.2 1.0 
assign (resi   95  and name HB1  ) (resi   96  and name HN   ) 3.0 1.2 0.5 
assign (resi   95  and name HG   ) (resi   98  and name HD#  ) 4.0 4.2 3.0 ! F98   
assign (resi   95  and name HD1# ) (resi   96  and name HN   ) 5.0 4.7 3.5 ! L95   
assign (resi   95  and name HD2# ) (resi   96  and name HN   ) 5.0 4.7 3.5 ! L95   

! residue T96 
assign (resi   96  and name HN   ) (resi   96  and name HB   ) 2.7 0.9 0.2 
assign (resi   96  and name HN   ) (resi   96  and name HG2# ) 4.0 3.7 2.5 ! T96   
assign (resi   96  and name HN   ) (resi   97  and name HN   ) 4.0 2.2 1.0 
assign (resi   96  and name HA   ) (resi   96  and name HB   ) 2.7 0.9 0.2 
assign (resi   96  and name HA   ) (resi   97  and name HN   ) 2.7 0.9 0.2 
assign (resi   96  and name HB   ) (resi   97  and name HN   ) 2.7 0.9 0.2 
assign (resi   96  and name HG2# ) (resi   97  and name HN   ) 4.0 3.7 2.5 ! T96   
assign (resi   96  and name HG2# ) (resi   98  and name HN   ) 5.0 4.7 3.5 ! T96   

! residue G97 
assign (resi   97  and name HN   ) (resi   98  and name HN   ) 4.0 2.2 1.0 

! residue F98 
assign (resi   98  and name HN   ) (resi   98  and name HB2  ) 3.0 1.2 0.5 
assign (resi   98  and name HN   ) (resi   98  and name HB1  ) 3.0 1.2 0.5 
assign (resi   98  and name HN   ) (resi   98  and name HB#  ) 3.0 2.2 1.5 ! F98   
 
! hydrogen bondings 
 
assign (resi   10  and name N    ) (resi   43  and name O    ) 3.3 0.8 0.2 ! K10   Y43   
assign (resi   10  and name HN   ) (resi   43  and name O    ) 2.3 0.8 0.2 ! K10   Y43   
assign (resi   18  and name N    ) (resi   14  and name O    ) 3.3 0.8 0.2 ! E18   P14   
assign (resi   18  and name HN   ) (resi   14  and name O    ) 2.3 0.8 0.2 ! E18   P14   
assign (resi   19  and name N    ) (resi   15  and name O    ) 3.3 0.8 0.2 ! I19   E15   
assign (resi   19  and name HN   ) (resi   15  and name O    ) 2.3 0.8 0.2 ! I19   E15   
assign (resi   20  and name N    ) (resi   16  and name O    ) 3.3 0.8 0.2 ! V20   I16   
assign (resi   20  and name HN   ) (resi   16  and name O    ) 2.3 0.8 0.2 ! V20   I16   
assign (resi   21  and name N    ) (resi   17  and name O    ) 3.3 0.8 0.2 ! D21   Q17   
assign (resi   21  and name HN   ) (resi   17  and name O    ) 2.3 0.8 0.2 ! D21   Q17   
assign (resi   22  and name N    ) (resi   18  and name O    ) 3.3 0.8 0.2 ! K22   E18   
assign (resi   22  and name HN   ) (resi   18  and name O    ) 2.3 0.8 0.2 ! K22   E18   
assign (resi   43  and name N    ) (resi   10  and name O    ) 3.3 0.8 0.2 ! Y43   K10   
assign (resi   43  and name HN   ) (resi   10  and name O    ) 2.3 0.8 0.2 ! Y43   K10   
assign (resi   44  and name N    ) (resi   54  and name O    ) 3.3 0.8 0.2 ! K44   Y54   
assign (resi   44  and name HN   ) (resi   54  and name O    ) 2.3 0.8 0.2 ! K44   Y54   
assign (resi   53  and name N    ) (resi   69  and name O    ) 3.3 0.8 0.2 ! Y53   V69   
assign (resi   53  and name HN   ) (resi   69  and name O    ) 2.3 0.8 0.2 ! Y53   V69   
assign (resi   54  and name N    ) (resi   44  and name O    ) 3.3 0.8 0.2 ! Y54   K44   
assign (resi   54  and name HN   ) (resi   44  and name O    ) 2.3 0.8 0.2 ! Y54   K44   
assign (resi   55  and name N    ) (resi   67  and name O    ) 3.3 0.8 0.2 ! I55   L67   
assign (resi   55  and name HN   ) (resi   67  and name O    ) 2.3 0.8 0.2 ! I55   L67   
assign (resi   56  and name N    ) (resi   42  and name O    ) 3.3 0.8 0.2 ! K56   Q42   
assign (resi   56  and name HN   ) (resi   42  and name O    ) 2.3 0.8 0.2 ! K56   Q42   
assign (resi   57  and name N    ) (resi   65  and name O    ) 3.3 0.8 0.2 ! V57   L65   
assign (resi   57  and name HN   ) (resi   65  and name O    ) 2.3 0.8 0.2 ! V57   L65   
assign (resi   65  and name N    ) (resi   57  and name O    ) 3.3 0.8 0.2 ! L65   V57   
assign (resi   65  and name HN   ) (resi   57  and name O    ) 2.3 0.8 0.2 ! L65   V57   
assign (resi   66  and name N    ) (resi   86  and name O    ) 3.3 0.8 0.2 ! H66   Q86   
assign (resi   66  and name HN   ) (resi   86  and name O    ) 2.3 0.8 0.2 ! H66   Q86   
assign (resi   67  and name N    ) (resi   55  and name O    ) 3.3 0.8 0.2 ! L67   I55   
assign (resi   67  and name HN   ) (resi   55  and name O    ) 2.3 0.8 0.2 ! L67   I55   
assign (resi   68  and name N    ) (resi   84  and name O    ) 3.3 0.8 0.2 ! K68   G84   
assign (resi   68  and name HN   ) (resi   84  and name O    ) 2.3 0.8 0.2 ! K68   G84   
assign (resi   69  and name N    ) (resi   53  and name O    ) 3.3 0.8 0.2 ! V69   Y53   
assign (resi   69  and name HN   ) (resi   53  and name O    ) 2.3 0.8 0.2 ! V69   Y53   
assign (resi   70  and name N    ) (resi   81  and name O    ) 3.3 0.8 0.2 ! F70   V81   
assign (resi   70  and name HN   ) (resi   81  and name O    ) 2.3 0.8 0.2 ! F70   V81   
assign (resi   71  and name N    ) (resi   51  and name O    ) 3.3 0.8 0.2 ! K71   T51   
assign (resi   71  and name HN   ) (resi   51  and name O    ) 2.3 0.8 0.2 ! K71   T51   
assign (resi   81  and name N    ) (resi   70  and name O    ) 3.3 0.8 0.2 ! V81   F70   
assign (resi   81  and name HN   ) (resi   70  and name O    ) 2.3 0.8 0.2 ! V81   F70   
assign (resi   70  and name N    ) (resi   81  and name O    ) 3.3 0.8 0.2 ! F70   V81   
assign (resi   70  and name HN   ) (resi   81  and name O    ) 2.3 0.8 0.2 ! F70   V81   
assign (resi   86  and name N    ) (resi   66  and name O    ) 3.3 0.8 0.2 ! Q86   H66   
assign (resi   86  and name HN   ) (resi   66  and name O    ) 2.3 0.8 0.2 ! Q86   H66   
 
  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1  57.260  -6.858 -17.333
    2   2H    MET   1          HT2       MET   1  57.635  -8.502 -17.528
    3   3H    MET   1          HT3       MET   1  58.858  -7.390 -17.131
    4    HA   MET   1           HA       MET   1  56.640  -7.453 -15.260
    5   1HB   MET   1          HB2       MET   1  57.432  -9.633 -14.328
    6   2HB   MET   1          HB1       MET   1  56.758  -9.801 -15.950
    7   1HG   MET   1          HG2       MET   1  59.011  -9.768 -16.915
    8   2HG   MET   1          HG1       MET   1  59.711  -9.537 -15.313
    9   1HE   MET   1          HE1       MET   1  60.852 -11.105 -14.402
   10   2HE   MET   1          HE2       MET   1  61.259 -11.941 -15.899
   11   3HE   MET   1          HE3       MET   1  60.711 -12.866 -14.502
   12    H    ILE   2           HN       ILE   2  58.200  -8.337 -13.105
   13    HA   ILE   2           HA       ILE   2  59.942  -6.029 -12.684
   14    HB   ILE   2           HB       ILE   2  60.081  -6.949 -10.437
   15   1HG1  ILE   2          HG12      ILE   2  58.908  -9.455 -11.688
   16   2HG1  ILE   2          HG11      ILE   2  60.546  -9.282 -11.056
   17   1HG2  ILE   2          HG21      ILE   2  57.683  -7.221  -9.929
   18   2HG2  ILE   2          HG22      ILE   2  57.346  -7.480 -11.641
   19   3HG2  ILE   2          HG23      ILE   2  57.934  -5.912 -11.084
   20   1HD1  ILE   2          HD11      ILE   2  58.721 -10.366  -9.534
   21   2HD1  ILE   2          HD12      ILE   2  58.176  -8.706  -9.292
   22   3HD1  ILE   2          HD13      ILE   2  59.813  -9.173  -8.830
   23    HA   PRO   3           HA       PRO   3  63.749  -7.920 -13.811
   24   1HB   PRO   3          HB2       PRO   3  65.469  -6.612 -12.132
   25   2HB   PRO   3          HB1       PRO   3  64.715  -5.834 -13.538
   26   1HG   PRO   3          HG2       PRO   3  63.993  -5.649 -10.659
   27   2HG   PRO   3          HG1       PRO   3  63.971  -4.399 -11.912
   28   1HD   PRO   3          HD2       PRO   3  61.739  -5.706 -11.018
   29   2HD   PRO   3          HD1       PRO   3  61.883  -4.981 -12.634
   30    H    GLY   4           HN       GLY   4  65.823  -8.856 -12.537
   31   1HA   GLY   4          HA2       GLY   4  64.945 -10.213 -10.039
   32   2HA   GLY   4          HA1       GLY   4  65.518 -11.203 -11.385
   33    H    GLY   5           HN       GLY   5  66.514  -8.499  -9.291
   34   1HA   GLY   5          HA2       GLY   5  68.922  -9.457  -8.385
   35   2HA   GLY   5          HA1       GLY   5  69.328  -8.842  -9.989
   36    H    LEU   6           HN       LEU   6  70.692  -7.299  -8.661
   37    HA   LEU   6           HA       LEU   6  69.307  -5.268  -7.078
   38   1HB   LEU   6          HB2       LEU   6  72.095  -5.760  -8.110
   39   2HB   LEU   6          HB1       LEU   6  71.691  -4.234  -7.324
   40    HG   LEU   6           HG       LEU   6  71.009  -6.878  -6.043
   41   1HD1  LEU   6          HD11      LEU   6  73.496  -6.674  -6.591
   42   2HD1  LEU   6          HD12      LEU   6  73.101  -6.884  -4.885
   43   3HD1  LEU   6          HD13      LEU   6  73.525  -5.287  -5.501
   44   1HD2  LEU   6          HD21      LEU   6  71.591  -4.134  -4.885
   45   2HD2  LEU   6          HD22      LEU   6  70.951  -5.533  -4.020
   46   3HD2  LEU   6          HD23      LEU   6  69.971  -4.730  -5.247
   47    H    SER   7           HN       SER   7  70.100  -2.859  -7.810
   48    HA   SER   7           HA       SER   7  68.667  -2.287 -10.253
   49   1HB   SER   7          HB2       SER   7  69.928  -0.025  -9.317
   50   2HB   SER   7          HB1       SER   7  68.363  -0.592  -8.785
   51    HG   SER   7           HG       SER   7  70.738  -0.497  -7.481
   52    H    GLU   8           HN       GLU   8  70.233  -0.076 -11.110
   53    HA   GLU   8           HA       GLU   8  72.102  -1.370 -12.923
   54   1HB   GLU   8          HB2       GLU   8  70.593   0.827 -12.999
   55   2HB   GLU   8          HB1       GLU   8  72.079   1.563 -12.458
   56   1HG   GLU   8          HG2       GLU   8  73.071   0.022 -14.421
   57   2HG   GLU   8          HG1       GLU   8  71.445   0.267 -15.058
   58    H    ALA   9           HN       ALA   9  73.811   1.117 -12.663
   59    HA   ALA   9           HA       ALA   9  75.282   0.852 -10.156
   60   1HB   ALA   9          HB1       ALA   9  77.351   0.015 -11.495
   61   2HB   ALA   9          HB2       ALA   9  76.177  -0.471 -12.718
   62   3HB   ALA   9          HB3       ALA   9  76.100  -1.161 -11.097
   63    H    LYS  10           HN       LYS  10  75.851   2.981  -9.871
   64    HA   LYS  10           HA       LYS  10  76.773   4.545 -12.260
   65   1HB   LYS  10          HB2       LYS  10  75.093   5.166  -9.832
   66   2HB   LYS  10          HB1       LYS  10  75.881   6.457 -10.732
   67   1HG   LYS  10          HG2       LYS  10  74.658   4.778 -12.656
   68   2HG   LYS  10          HG1       LYS  10  73.467   5.031 -11.380
   69   1HD   LYS  10          HD2       LYS  10  75.025   7.262 -12.715
   70   2HD   LYS  10          HD1       LYS  10  73.387   6.789 -13.166
   71   1HE   LYS  10          HE2       LYS  10  72.666   7.226 -10.792
   72   2HE   LYS  10          HE1       LYS  10  74.289   7.873 -10.475
   73   1HZ   LYS  10          HZ1       LYS  10  73.057   9.723 -11.158
   74   2HZ   LYS  10          HZ2       LYS  10  72.260   8.864 -12.388
   75   3HZ   LYS  10          HZ3       LYS  10  73.904   9.261 -12.553
   76    HA   PRO  11           HA       PRO  11  80.487   5.481 -10.087
   77   1HB   PRO  11          HB2       PRO  11  80.782   8.181 -10.467
   78   2HB   PRO  11          HB1       PRO  11  81.067   6.981 -11.742
   79   1HG   PRO  11          HG2       PRO  11  78.680   8.701 -11.260
   80   2HG   PRO  11          HG1       PRO  11  79.457   8.256 -12.788
   81   1HD   PRO  11          HD2       PRO  11  77.182   7.079 -11.903
   82   2HD   PRO  11          HD1       PRO  11  78.381   6.228 -12.901
   83    H    ALA  12           HN       ALA  12  81.345   6.731  -8.185
   84    HA   ALA  12           HA       ALA  12  79.102   7.420  -6.331
   85   1HB   ALA  12          HB1       ALA  12  80.352   6.389  -4.718
   86   2HB   ALA  12          HB2       ALA  12  81.874   7.009  -5.358
   87   3HB   ALA  12          HB3       ALA  12  81.102   5.616  -6.112
   88    H    THR  13           HN       THR  13  78.827   9.524  -5.837
   89    HA   THR  13           HA       THR  13  80.934  11.517  -6.451
   90    HB   THR  13           HB       THR  13  78.527  12.519  -5.180
   91    HG1  THR  13           HG1      THR  13  77.887  11.146  -7.511
   92   1HG2  THR  13          HG21      THR  13  80.232  13.192  -7.255
   93   2HG2  THR  13          HG22      THR  13  78.728  14.024  -6.857
   94   3HG2  THR  13          HG23      THR  13  78.738  12.763  -8.090
   95    HA   PRO  14           HA       PRO  14  82.049  12.237  -2.232
   96   1HB   PRO  14          HB2       PRO  14  81.258  14.756  -1.490
   97   2HB   PRO  14          HB1       PRO  14  82.611  14.453  -2.597
   98   1HG   PRO  14          HG2       PRO  14  79.813  15.257  -3.205
   99   2HG   PRO  14          HG1       PRO  14  81.327  15.779  -3.959
  100   1HD   PRO  14          HD2       PRO  14  79.653  13.956  -5.071
  101   2HD   PRO  14          HD1       PRO  14  81.404  13.969  -5.362
  102    H    GLU  15           HN       GLU  15  78.696  13.256  -2.812
  103    HA   GLU  15           HA       GLU  15  77.702  13.063  -0.158
  104   1HB   GLU  15          HB2       GLU  15  75.895  13.730  -1.340
  105   2HB   GLU  15          HB1       GLU  15  76.911  13.694  -2.747
  106   1HG   GLU  15          HG2       GLU  15  76.133  11.558  -3.398
  107   2HG   GLU  15          HG1       GLU  15  75.406  11.248  -1.821
  108    H    ILE  16           HN       ILE  16  77.687  10.767  -2.826
  109    HA   ILE  16           HA       ILE  16  76.535   8.536  -1.470
  110    HB   ILE  16           HB       ILE  16  78.452   8.802  -3.810
  111   1HG1  ILE  16          HG12      ILE  16  76.278   9.863  -4.163
  112   2HG1  ILE  16          HG11      ILE  16  76.372   8.388  -5.126
  113   1HG2  ILE  16          HG21      ILE  16  76.754   6.407  -3.667
  114   2HG2  ILE  16          HG22      ILE  16  77.985   6.478  -2.406
  115   3HG2  ILE  16          HG23      ILE  16  78.456   6.555  -4.103
  116   1HD1  ILE  16          HD11      ILE  16  74.211   8.434  -4.027
  117   2HD1  ILE  16          HD12      ILE  16  74.966   8.732  -2.462
  118   3HD1  ILE  16          HD13      ILE  16  75.188   7.178  -3.266
  119    H    GLN  17           HN       GLN  17  79.824   9.749  -1.774
  120    HA   GLN  17           HA       GLN  17  81.071   7.472  -0.498
  121   1HB   GLN  17          HB2       GLN  17  82.451   8.783  -1.905
  122   2HB   GLN  17          HB1       GLN  17  81.832  10.294  -1.240
  123   1HG   GLN  17          HG2       GLN  17  84.161   9.734  -0.473
  124   2HG   GLN  17          HG1       GLN  17  83.008   9.927   0.848
  125   1HE2  GLN  17          HE21      GLN  17  84.530   8.490   2.118
  126   2HE2  GLN  17          HE22      GLN  17  84.437   6.809   1.903
  127    H    GLU  18           HN       GLU  18  79.336  10.253   0.564
  128    HA   GLU  18           HA       GLU  18  80.424  10.316   3.264
  129   1HB   GLU  18          HB2       GLU  18  78.626  11.742   1.443
  130   2HB   GLU  18          HB1       GLU  18  77.982  11.653   3.071
  131   1HG   GLU  18          HG2       GLU  18  80.801  12.250   3.144
  132   2HG   GLU  18          HG1       GLU  18  79.959  13.409   2.120
  133    H    ILE  19           HN       ILE  19  77.610   9.168   1.493
  134    HA   ILE  19           HA       ILE  19  75.936   8.176   3.483
  135    HB   ILE  19           HB       ILE  19  76.702   7.704   0.677
  136   1HG1  ILE  19          HG12      ILE  19  74.758   9.065   1.691
  137   2HG1  ILE  19          HG11      ILE  19  74.407   8.057   0.291
  138   1HG2  ILE  19          HG21      ILE  19  75.324   5.490   2.232
  139   2HG2  ILE  19          HG22      ILE  19  76.858   5.374   1.375
  140   3HG2  ILE  19          HG23      ILE  19  75.357   5.593   0.475
  141   1HD1  ILE  19          HD11      ILE  19  73.866   7.369   3.193
  142   2HD1  ILE  19          HD12      ILE  19  73.627   6.255   1.847
  143   3HD1  ILE  19          HD13      ILE  19  72.660   7.726   1.957
  144    H    VAL  20           HN       VAL  20  78.810   6.675   2.025
  145    HA   VAL  20           HA       VAL  20  78.780   4.309   3.672
  146    HB   VAL  20           HB       VAL  20  80.850   5.814   2.057
  147   1HG1  VAL  20          HG11      VAL  20  82.441   4.049   2.466
  148   2HG1  VAL  20          HG12      VAL  20  81.258   3.125   3.389
  149   3HG1  VAL  20          HG13      VAL  20  81.897   4.637   4.037
  150   1HG2  VAL  20          HG21      VAL  20  79.527   4.687   0.541
  151   2HG2  VAL  20          HG22      VAL  20  79.068   3.448   1.709
  152   3HG2  VAL  20          HG23      VAL  20  80.653   3.388   0.939
  153    H    ASP  21           HN       ASP  21  80.613   7.363   3.840
  154    HA   ASP  21           HA       ASP  21  82.003   6.981   6.253
  155   1HB   ASP  21          HB2       ASP  21  80.977   9.058   4.467
  156   2HB   ASP  21          HB1       ASP  21  81.283   9.612   6.091
  157    H    LYS  22           HN       LYS  22  78.650   7.298   5.676
  158    HA   LYS  22           HA       LYS  22  77.854   8.549   8.163
  159   1HB   LYS  22          HB2       LYS  22  76.633   8.378   5.919
  160   2HB   LYS  22          HB1       LYS  22  76.258   6.717   6.364
  161   1HG   LYS  22          HG2       LYS  22  74.468   7.532   7.474
  162   2HG   LYS  22          HG1       LYS  22  75.608   8.202   8.641
  163   1HD   LYS  22          HD2       LYS  22  74.882   9.657   6.094
  164   2HD   LYS  22          HD1       LYS  22  73.958   9.856   7.584
  165   1HE   LYS  22          HE2       LYS  22  75.652  11.017   8.638
  166   2HE   LYS  22          HE1       LYS  22  76.929  10.126   7.787
  167   1HZ   LYS  22          HZ1       LYS  22  75.802  11.263   5.722
  168   2HZ   LYS  22          HZ2       LYS  22  76.988  12.074   6.629
  169   3HZ   LYS  22          HZ3       LYS  22  75.343  12.417   6.878
  170    H    VAL  23           HN       VAL  23  77.818   5.201   6.961
  171    HA   VAL  23           HA       VAL  23  77.717   4.275   9.815
  172    HB   VAL  23           HB       VAL  23  76.711   2.809   7.377
  173   1HG1  VAL  23          HG11      VAL  23  76.621   1.208   8.992
  174   2HG1  VAL  23          HG12      VAL  23  75.176   2.074   9.514
  175   3HG1  VAL  23          HG13      VAL  23  76.724   2.389  10.298
  176   1HG2  VAL  23          HG21      VAL  23  74.459   3.710   8.651
  177   2HG2  VAL  23          HG22      VAL  23  75.166   4.479   7.230
  178   3HG2  VAL  23          HG23      VAL  23  75.542   5.089   8.842
  179    H    LYS  24           HN       LYS  24  79.648   4.502   7.080
  180    HA   LYS  24           HA       LYS  24  80.921   1.878   7.311
  181   1HB   LYS  24          HB2       LYS  24  81.016   2.983   5.205
  182   2HB   LYS  24          HB1       LYS  24  81.664   4.454   5.932
  183   1HG   LYS  24          HG2       LYS  24  83.166   1.887   6.268
  184   2HG   LYS  24          HG1       LYS  24  83.298   2.768   4.745
  185   1HD   LYS  24          HD2       LYS  24  83.535   4.699   6.798
  186   2HD   LYS  24          HD1       LYS  24  84.558   3.343   7.275
  187   1HE   LYS  24          HE2       LYS  24  85.417   3.404   4.815
  188   2HE   LYS  24          HE1       LYS  24  84.730   5.040   4.786
  189   1HZ   LYS  24          HZ1       LYS  24  87.121   4.205   5.991
  190   2HZ   LYS  24          HZ2       LYS  24  86.060   4.676   7.231
  191   3HZ   LYS  24          HZ3       LYS  24  86.443   5.759   5.980
  192    HA   PRO  25           HA       PRO  25  83.966   4.479   9.998
  193   1HB   PRO  25          HB2       PRO  25  82.698   6.198  11.718
  194   2HB   PRO  25          HB1       PRO  25  83.362   6.720  10.170
  195   1HG   PRO  25          HG2       PRO  25  80.557   6.053  10.861
  196   2HG   PRO  25          HG1       PRO  25  81.192   7.404   9.911
  197   1HD   PRO  25          HD2       PRO  25  80.123   5.253   8.752
  198   2HD   PRO  25          HD1       PRO  25  81.491   6.107   8.013
  199    H    GLN  26           HN       GLN  26  80.597   4.202  10.996
  200    HA   GLN  26           HA       GLN  26  81.097   2.827  13.500
  201   1HB   GLN  26          HB2       GLN  26  78.963   3.980  12.180
  202   2HB   GLN  26          HB1       GLN  26  78.603   2.263  12.003
  203   1HG   GLN  26          HG2       GLN  26  78.788   1.952  14.431
  204   2HG   GLN  26          HG1       GLN  26  79.208   3.654  14.629
  205   1HE2  GLN  26          HE21      GLN  26  76.647   1.957  12.720
  206   2HE2  GLN  26          HE22      GLN  26  75.371   2.895  13.332
  207    H    LEU  27           HN       LEU  27  80.495   1.847  10.152
  208    HA   LEU  27           HA       LEU  27  80.313  -0.959  10.409
  209   1HB   LEU  27          HB2       LEU  27  80.124   0.483   8.322
  210   2HB   LEU  27          HB1       LEU  27  81.876   0.645   8.346
  211    HG   LEU  27           HG       LEU  27  80.437  -2.015   8.219
  212   1HD1  LEU  27          HD11      LEU  27  80.432  -1.885   5.950
  213   2HD1  LEU  27          HD12      LEU  27  81.971  -1.032   5.897
  214   3HD1  LEU  27          HD13      LEU  27  80.481  -0.147   6.225
  215   1HD2  LEU  27          HD21      LEU  27  83.300  -1.109   8.191
  216   2HD2  LEU  27          HD22      LEU  27  82.845  -2.560   7.298
  217   3HD2  LEU  27          HD23      LEU  27  82.575  -2.475   9.039
  218    H    GLU  28           HN       GLU  28  83.170   1.101   9.992
  219    HA   GLU  28           HA       GLU  28  85.218  -0.785  10.306
  220   1HB   GLU  28          HB2       GLU  28  84.661   2.117  10.636
  221   2HB   GLU  28          HB1       GLU  28  86.163   1.519  11.295
  222   1HG   GLU  28          HG2       GLU  28  85.758   0.372   8.702
  223   2HG   GLU  28          HG1       GLU  28  85.585   2.122   8.598
  224    H    GLU  29           HN       GLU  29  83.576   1.264  12.748
  225    HA   GLU  29           HA       GLU  29  85.019  -0.007  14.962
  226   1HB   GLU  29          HB2       GLU  29  84.197   2.433  14.671
  227   2HB   GLU  29          HB1       GLU  29  82.609   1.806  15.115
  228   1HG   GLU  29          HG2       GLU  29  83.202   1.480  17.292
  229   2HG   GLU  29          HG1       GLU  29  84.832   0.953  16.872
  230    H    LYS  30           HN       LYS  30  82.637  -1.226  13.074
  231    HA   LYS  30           HA       LYS  30  80.908  -2.233  15.228
  232   1HB   LYS  30          HB2       LYS  30  80.896  -1.779  12.339
  233   2HB   LYS  30          HB1       LYS  30  80.171  -3.304  12.797
  234   1HG   LYS  30          HG2       LYS  30  79.325  -1.160  14.569
  235   2HG   LYS  30          HG1       LYS  30  78.946  -0.792  12.886
  236   1HD   LYS  30          HD2       LYS  30  77.345  -2.391  12.784
  237   2HD   LYS  30          HD1       LYS  30  78.357  -3.571  13.619
  238   1HE   LYS  30          HE2       LYS  30  77.782  -1.771  15.638
  239   2HE   LYS  30          HE1       LYS  30  76.267  -1.817  14.714
  240   1HZ   LYS  30          HZ1       LYS  30  76.587  -4.304  14.663
  241   2HZ   LYS  30          HZ2       LYS  30  76.168  -3.646  16.173
  242   3HZ   LYS  30          HZ3       LYS  30  77.775  -4.098  15.855
  243    H    THR  31           HN       THR  31  82.822  -3.556  12.537
  244    HA   THR  31           HA       THR  31  82.992  -6.145  13.994
  245    HB   THR  31           HB       THR  31  83.877  -5.338  11.213
  246    HG1  THR  31           HG1      THR  31  81.546  -5.238  11.800
  247   1HG2  THR  31          HG21      THR  31  84.980  -7.325  11.511
  248   2HG2  THR  31          HG22      THR  31  83.403  -7.983  11.077
  249   3HG2  THR  31          HG23      THR  31  83.872  -7.865  12.773
  250    H    ASN  32           HN       ASN  32  84.338  -3.543  14.664
  251    HA   ASN  32           HA       ASN  32  86.447  -2.648  15.093
  252   1HB   ASN  32          HB2       ASN  32  87.652  -4.189  16.459
  253   2HB   ASN  32          HB1       ASN  32  85.959  -4.573  16.676
  254   1HD2  ASN  32          HD21      ASN  32  85.144  -6.551  15.741
  255   2HD2  ASN  32          HD22      ASN  32  86.183  -7.763  15.165
  256    H    GLU  33           HN       GLU  33  85.855  -3.500  12.366
  257    HA   GLU  33           HA       GLU  33  88.490  -4.507  11.468
  258   1HB   GLU  33          HB2       GLU  33  86.024  -5.337  10.860
  259   2HB   GLU  33          HB1       GLU  33  86.185  -4.086   9.626
  260   1HG   GLU  33          HG2       GLU  33  87.063  -5.952   8.527
  261   2HG   GLU  33          HG1       GLU  33  88.519  -5.204   9.185
  262    H    THR  34           HN       THR  34  89.874  -3.170  10.319
  263    HA   THR  34           HA       THR  34  88.896  -0.410   9.676
  264    HB   THR  34           HB       THR  34  91.791  -1.062   9.733
  265    HG1  THR  34           HG1      THR  34  91.393  -0.793  12.190
  266   1HG2  THR  34          HG21      THR  34  89.960   1.114  10.723
  267   2HG2  THR  34          HG22      THR  34  91.280   1.225   9.559
  268   3HG2  THR  34          HG23      THR  34  91.633   1.023  11.275
  269    H    TYR  35           HN       TYR  35  89.551   0.480   7.591
  270    HA   TYR  35           HA       TYR  35  90.182  -1.633   5.573
  271   1HB   TYR  35          HB2       TYR  35  88.625   0.949   5.559
  272   2HB   TYR  35          HB1       TYR  35  89.095   0.149   4.063
  273    HD1  TYR  35           HD1      TYR  35  86.306   0.598   5.749
  274    HD2  TYR  35           HD2      TYR  35  88.881  -2.700   4.780
  275    HE1  TYR  35           HE1      TYR  35  84.398  -0.965   5.999
  276    HE2  TYR  35           HE2      TYR  35  86.974  -4.264   5.029
  277    HH   TYR  35           HH       TYR  35  84.117  -3.727   4.799
  278    H    GLY  36           HN       GLY  36  90.601   1.907   5.858
  279   1HA   GLY  36          HA2       GLY  36  93.161   2.483   5.994
  280   2HA   GLY  36          HA1       GLY  36  93.199   1.612   4.474
  281    H    LYS  37           HN       LYS  37  90.589   3.681   5.454
  282    HA   LYS  37           HA       LYS  37  89.776   5.714   4.559
  283   1HB   LYS  37          HB2       LYS  37  92.707   5.766   4.440
  284   2HB   LYS  37          HB1       LYS  37  91.948   6.818   3.245
  285   1HG   LYS  37          HG2       LYS  37  90.935   6.839   6.069
  286   2HG   LYS  37          HG1       LYS  37  92.410   7.723   5.675
  287   1HD   LYS  37          HD2       LYS  37  91.175   8.889   3.844
  288   2HD   LYS  37          HD1       LYS  37  89.699   8.073   4.363
  289   1HE   LYS  37          HE2       LYS  37  91.043   9.337   6.620
  290   2HE   LYS  37          HE1       LYS  37  90.647  10.513   5.350
  291   1HZ   LYS  37          HZ1       LYS  37  88.858   8.742   6.861
  292   2HZ   LYS  37          HZ2       LYS  37  88.445   9.139   5.262
  293   3HZ   LYS  37          HZ3       LYS  37  88.642  10.366   6.421
  294    H    LEU  38           HN       LEU  38  88.538   4.342   3.001
  295    HA   LEU  38           HA       LEU  38  89.678   4.194   0.274
  296   1HB   LEU  38          HB2       LEU  38  87.502   2.873  -0.075
  297   2HB   LEU  38          HB1       LEU  38  88.728   2.160   0.947
  298    HG   LEU  38           HG       LEU  38  86.240   2.119   1.711
  299   1HD1  LEU  38          HD11      LEU  38  87.534   3.073   4.067
  300   2HD1  LEU  38          HD12      LEU  38  88.721   2.205   3.095
  301   3HD1  LEU  38          HD13      LEU  38  87.225   1.406   3.580
  302   1HD2  LEU  38          HD21      LEU  38  85.446   4.039   2.910
  303   2HD2  LEU  38          HD22      LEU  38  85.956   4.606   1.324
  304   3HD2  LEU  38          HD23      LEU  38  86.979   4.881   2.725
  305    H    GLU  39           HN       GLU  39  88.207   4.790  -1.524
  306    HA   GLU  39           HA       GLU  39  86.419   7.072  -0.850
  307   1HB   GLU  39          HB2       GLU  39  87.348   8.209  -2.749
  308   2HB   GLU  39          HB1       GLU  39  88.705   7.612  -1.812
  309   1HG   GLU  39          HG2       GLU  39  89.402   6.307  -3.513
  310   2HG   GLU  39          HG1       GLU  39  87.787   5.651  -3.755
  311    H    ALA  40           HN       ALA  40  84.524   7.213  -2.211
  312    HA   ALA  40           HA       ALA  40  83.624   4.640  -3.266
  313   1HB   ALA  40          HB1       ALA  40  82.311   7.348  -3.469
  314   2HB   ALA  40          HB2       ALA  40  82.322   6.402  -1.981
  315   3HB   ALA  40          HB3       ALA  40  81.533   5.766  -3.422
  316    H    VAL  41           HN       VAL  41  83.643   3.978  -5.331
  317    HA   VAL  41           HA       VAL  41  84.400   5.936  -7.471
  318    HB   VAL  41           HB       VAL  41  84.762   2.941  -7.126
  319   1HG1  VAL  41          HG11      VAL  41  84.558   4.517  -9.543
  320   2HG1  VAL  41          HG12      VAL  41  84.790   2.777  -9.373
  321   3HG1  VAL  41          HG13      VAL  41  86.185   3.856  -9.386
  322   1HG2  VAL  41          HG21      VAL  41  86.795   3.512  -6.343
  323   2HG2  VAL  41          HG22      VAL  41  86.334   5.211  -6.441
  324   3HG2  VAL  41          HG23      VAL  41  87.125   4.432  -7.812
  325    H    GLN  42           HN       GLN  42  82.107   3.572  -6.340
  326    HA   GLN  42           HA       GLN  42  80.130   4.421  -8.354
  327   1HB   GLN  42          HB2       GLN  42  81.238   1.597  -8.210
  328   2HB   GLN  42          HB1       GLN  42  79.839   2.072  -9.169
  329   1HG   GLN  42          HG2       GLN  42  81.390   3.813 -10.258
  330   2HG   GLN  42          HG1       GLN  42  82.718   2.912  -9.527
  331   1HE2  GLN  42          HE21      GLN  42  82.715   0.467 -10.057
  332   2HE2  GLN  42          HE22      GLN  42  82.195   0.009 -11.607
  333    H    TYR  43           HN       TYR  43  78.026   3.013  -7.933
  334    HA   TYR  43           HA       TYR  43  77.738   1.635  -5.424
  335   1HB   TYR  43          HB2       TYR  43  76.869   3.345  -4.031
  336   2HB   TYR  43          HB1       TYR  43  78.264   4.079  -4.803
  337    HD1  TYR  43           HD1      TYR  43  78.002   5.812  -6.524
  338    HD2  TYR  43           HD2      TYR  43  74.590   3.963  -4.680
  339    HE1  TYR  43           HE1      TYR  43  76.534   7.583  -7.455
  340    HE2  TYR  43           HE2      TYR  43  73.126   5.734  -5.612
  341    HH   TYR  43           HH       TYR  43  73.067   7.363  -7.310
  342    H    LYS  44           HN       LYS  44  75.244   1.989  -4.712
  343    HA   LYS  44           HA       LYS  44  73.391   2.342  -6.968
  344   1HB   LYS  44          HB2       LYS  44  73.075  -0.359  -5.802
  345   2HB   LYS  44          HB1       LYS  44  72.995   0.153  -7.486
  346   1HG   LYS  44          HG2       LYS  44  75.375   0.068  -7.737
  347   2HG   LYS  44          HG1       LYS  44  75.618  -0.114  -5.999
  348   1HD   LYS  44          HD2       LYS  44  75.846  -2.315  -6.796
  349   2HD   LYS  44          HD1       LYS  44  74.169  -2.263  -6.253
  350   1HE   LYS  44          HE2       LYS  44  73.423  -1.807  -8.567
  351   2HE   LYS  44          HE1       LYS  44  75.110  -1.862  -9.114
  352   1HZ   LYS  44          HZ1       LYS  44  73.754  -4.058  -7.644
  353   2HZ   LYS  44          HZ2       LYS  44  75.319  -4.093  -8.306
  354   3HZ   LYS  44          HZ3       LYS  44  73.962  -4.027  -9.327
  355    H    THR  45           HN       THR  45  71.429   0.591  -5.772
  356    HA   THR  45           HA       THR  45  71.046   1.406  -2.984
  357    HB   THR  45           HB       THR  45  68.820   2.484  -3.655
  358    HG1  THR  45           HG1      THR  45  70.168   2.535  -6.152
  359   1HG2  THR  45          HG21      THR  45  71.284   3.923  -4.668
  360   2HG2  THR  45          HG22      THR  45  70.923   3.717  -2.954
  361   3HG2  THR  45          HG23      THR  45  69.828   4.641  -3.982
  362    H    GLN  46           HN       GLN  46  69.451   0.027  -2.027
  363    HA   GLN  46           HA       GLN  46  68.576  -2.175  -3.825
  364   1HB   GLN  46          HB2       GLN  46  69.933  -2.038  -1.375
  365   2HB   GLN  46          HB1       GLN  46  68.316  -2.597  -0.963
  366   1HG   GLN  46          HG2       GLN  46  69.908  -3.818  -3.224
  367   2HG   GLN  46          HG1       GLN  46  70.029  -4.413  -1.567
  368   1HE2  GLN  46          HE21      GLN  46  67.508  -3.657  -4.034
  369   2HE2  GLN  46          HE22      GLN  46  66.473  -4.918  -3.575
  370    H    VAL  47           HN       VAL  47  66.662  -3.086  -1.738
  371    HA   VAL  47           HA       VAL  47  64.717  -0.951  -1.325
  372    HB   VAL  47           HB       VAL  47  64.765  -2.570  -3.767
  373   1HG1  VAL  47          HG11      VAL  47  62.133  -2.639  -3.723
  374   2HG1  VAL  47          HG12      VAL  47  62.355  -2.709  -1.975
  375   3HG1  VAL  47          HG13      VAL  47  63.050  -3.962  -3.003
  376   1HG2  VAL  47          HG21      VAL  47  63.284  -0.125  -2.784
  377   2HG2  VAL  47          HG22      VAL  47  63.070  -0.777  -4.408
  378   3HG2  VAL  47          HG23      VAL  47  64.651  -0.187  -3.896
  379    H    VAL  48           HN       VAL  48  64.185  -1.567   0.739
  380    HA   VAL  48           HA       VAL  48  63.039  -4.301   1.134
  381    HB   VAL  48           HB       VAL  48  64.993  -3.091   3.064
  382   1HG1  VAL  48          HG11      VAL  48  65.100  -5.266   3.970
  383   2HG1  VAL  48          HG12      VAL  48  64.463  -6.002   2.500
  384   3HG1  VAL  48          HG13      VAL  48  63.395  -5.080   3.557
  385   1HG2  VAL  48          HG21      VAL  48  65.523  -4.600   0.519
  386   2HG2  VAL  48          HG22      VAL  48  66.590  -4.832   1.904
  387   3HG2  VAL  48          HG23      VAL  48  66.400  -3.228   1.196
  388    H    ALA  49           HN       ALA  49  63.353  -3.316   4.112
  389    HA   ALA  49           HA       ALA  49  60.692  -2.075   4.277
  390   1HB   ALA  49          HB1       ALA  49  60.849  -2.661   6.549
  391   2HB   ALA  49          HB2       ALA  49  62.602  -2.468   6.571
  392   3HB   ALA  49          HB3       ALA  49  61.881  -3.882   5.803
  393    H    GLY  50           HN       GLY  50  62.673  -0.596   2.930
  394   1HA   GLY  50          HA2       GLY  50  62.476   2.016   3.793
  395   2HA   GLY  50          HA1       GLY  50  63.933   1.399   4.566
  396    H    THR  51           HN       THR  51  65.666   1.779   3.398
  397    HA   THR  51           HA       THR  51  65.732   1.052   0.545
  398    HB   THR  51           HB       THR  51  65.946   3.889   1.595
  399    HG1  THR  51           HG1      THR  51  64.480   4.167  -0.197
  400   1HG2  THR  51          HG21      THR  51  66.958   2.745  -1.018
  401   2HG2  THR  51          HG22      THR  51  67.879   3.638   0.192
  402   3HG2  THR  51          HG23      THR  51  66.653   4.464  -0.769
  403    H    ASN  52           HN       ASN  52  67.557  -0.240   0.700
  404    HA   ASN  52           HA       ASN  52  69.803   0.553   2.453
  405   1HB   ASN  52          HB2       ASN  52  69.314  -1.817   0.626
  406   2HB   ASN  52          HB1       ASN  52  70.655  -1.668   1.757
  407   1HD2  ASN  52          HD21      ASN  52  69.904  -3.528   3.002
  408   2HD2  ASN  52          HD22      ASN  52  68.534  -3.423   3.995
  409    H    TYR  53           HN       TYR  53  71.926   1.004   1.640
  410    HA   TYR  53           HA       TYR  53  72.016   1.617  -1.285
  411   1HB   TYR  53          HB2       TYR  53  73.573   2.785   1.023
  412   2HB   TYR  53          HB1       TYR  53  73.646   3.315  -0.637
  413    HD1  TYR  53           HD1      TYR  53  70.929   2.644   1.899
  414    HD2  TYR  53           HD2      TYR  53  72.490   5.239  -1.148
  415    HE1  TYR  53           HE1      TYR  53  69.053   4.209   2.270
  416    HE2  TYR  53           HE2      TYR  53  70.601   6.798  -0.778
  417    HH   TYR  53           HH       TYR  53  67.844   5.958   1.007
  418    H    TYR  54           HN       TYR  54  74.092   1.308  -2.271
  419    HA   TYR  54           HA       TYR  54  75.950  -0.624  -0.926
  420   1HB   TYR  54          HB2       TYR  54  74.070  -1.252  -2.868
  421   2HB   TYR  54          HB1       TYR  54  75.521  -0.961  -3.826
  422    HD1  TYR  54           HD1      TYR  54  73.728  -3.445  -2.199
  423    HD2  TYR  54           HD2      TYR  54  77.749  -1.993  -2.610
  424    HE1  TYR  54           HE1      TYR  54  74.599  -5.677  -1.561
  425    HE2  TYR  54           HE2      TYR  54  78.618  -4.225  -1.970
  426    HH   TYR  54           HH       TYR  54  77.109  -6.901  -2.145
  427    H    ILE  55           HN       ILE  55  77.827   0.663  -0.811
  428    HA   ILE  55           HA       ILE  55  78.401   2.385  -3.199
  429    HB   ILE  55           HB       ILE  55  79.577   2.583  -0.427
  430   1HG1  ILE  55          HG12      ILE  55  77.102   2.597  -0.260
  431   2HG1  ILE  55          HG11      ILE  55  77.779   4.187   0.099
  432   1HG2  ILE  55          HG21      ILE  55  79.123   5.090  -1.672
  433   2HG2  ILE  55          HG22      ILE  55  79.825   4.038  -2.901
  434   3HG2  ILE  55          HG23      ILE  55  80.674   4.305  -1.378
  435   1HD1  ILE  55          HD11      ILE  55  76.131   3.311  -2.207
  436   2HD1  ILE  55          HD12      ILE  55  77.452   4.418  -2.580
  437   3HD1  ILE  55          HD13      ILE  55  76.213   4.884  -1.415
  438    H    LYS  56           HN       LYS  56  80.092   1.806  -4.452
  439    HA   LYS  56           HA       LYS  56  81.979  -0.295  -3.569
  440   1HB   LYS  56          HB2       LYS  56  80.906  -0.221  -5.833
  441   2HB   LYS  56          HB1       LYS  56  81.734   1.305  -6.142
  442   1HG   LYS  56          HG2       LYS  56  83.897   0.246  -5.972
  443   2HG   LYS  56          HG1       LYS  56  83.166  -1.267  -5.433
  444   1HD   LYS  56          HD2       LYS  56  82.492  -1.851  -7.540
  445   2HD   LYS  56          HD1       LYS  56  82.163  -0.182  -8.008
  446   1HE   LYS  56          HE2       LYS  56  84.398   0.236  -8.589
  447   2HE   LYS  56          HE1       LYS  56  85.009  -1.079  -7.565
  448   1HZ   LYS  56          HZ1       LYS  56  84.990  -2.251  -9.468
  449   2HZ   LYS  56          HZ2       LYS  56  83.916  -1.189 -10.245
  450   3HZ   LYS  56          HZ3       LYS  56  83.323  -2.385  -9.194
  451    H    VAL  57           HN       VAL  57  83.700   0.473  -2.315
  452    HA   VAL  57           HA       VAL  57  84.714   3.199  -2.940
  453    HB   VAL  57           HB       VAL  57  85.749   1.939  -0.531
  454   1HG1  VAL  57          HG11      VAL  57  84.228   4.413  -1.296
  455   2HG1  VAL  57          HG12      VAL  57  85.848   4.272  -0.614
  456   3HG1  VAL  57          HG13      VAL  57  84.436   4.004   0.406
  457   1HG2  VAL  57          HG21      VAL  57  83.723   0.652  -0.409
  458   2HG2  VAL  57          HG22      VAL  57  82.742   2.035  -0.894
  459   3HG2  VAL  57          HG23      VAL  57  83.517   2.016   0.690
  460    H    ARG  58           HN       ARG  58  86.935   3.499  -3.353
  461    HA   ARG  58           HA       ARG  58  88.415   1.182  -4.354
  462   1HB   ARG  58          HB2       ARG  58  88.793   3.105  -5.592
  463   2HB   ARG  58          HB1       ARG  58  88.637   4.135  -4.187
  464   1HG   ARG  58          HG2       ARG  58  90.831   3.347  -3.372
  465   2HG   ARG  58          HG1       ARG  58  91.010   2.421  -4.865
  466   1HD   ARG  58          HD2       ARG  58  90.308   5.309  -5.138
  467   2HD   ARG  58          HD1       ARG  58  91.972   4.912  -4.664
  468    HE   ARG  58           HE       ARG  58  91.642   3.164  -6.684
  469   1HH1  ARG  58          HH21      ARG  58  92.668   6.166  -6.826
  470   2HH1  ARG  58          HH22      ARG  58  91.934   6.628  -8.325
  471   1HH2  ARG  58          HH11      ARG  58  89.835   3.867  -8.446
  472   2HH2  ARG  58          HH12      ARG  58  90.322   5.327  -9.241
  473    H    ALA  59           HN       ALA  59  90.850   1.152  -3.536
  474    HA   ALA  59           HA       ALA  59  91.035   1.724  -0.625
  475   1HB   ALA  59          HB1       ALA  59  90.305  -0.335  -0.078
  476   2HB   ALA  59          HB2       ALA  59  91.757  -0.987  -0.838
  477   3HB   ALA  59          HB3       ALA  59  90.271  -0.824  -1.772
  478    H    GLY  60           HN       GLY  60  92.698   2.993  -2.183
  479   1HA   GLY  60          HA2       GLY  60  95.196   3.024  -1.655
  480   2HA   GLY  60          HA1       GLY  60  95.184   1.377  -2.235
  481    H    ASP  61           HN       ASP  61  93.299   3.775  -3.701
  482    HA   ASP  61           HA       ASP  61  93.334   4.709  -5.861
  483   1HB   ASP  61          HB2       ASP  61  96.299   4.252  -5.408
  484   2HB   ASP  61          HB1       ASP  61  95.624   5.261  -6.687
  485    H    ASN  62           HN       ASN  62  93.535   1.669  -5.234
  486    HA   ASN  62           HA       ASN  62  93.500   0.853  -8.025
  487   1HB   ASN  62          HB2       ASN  62  95.817   0.557  -6.262
  488   2HB   ASN  62          HB1       ASN  62  95.337  -0.940  -7.050
  489   1HD2  ASN  62          HD21      ASN  62  94.560  -0.243  -9.561
  490   2HD2  ASN  62          HD22      ASN  62  95.781   0.601 -10.385
  491    H    LYS  63           HN       LYS  63  93.354  -0.129  -4.620
  492    HA   LYS  63           HA       LYS  63  92.028  -2.661  -5.338
  493   1HB   LYS  63          HB2       LYS  63  92.171  -1.565  -2.566
  494   2HB   LYS  63          HB1       LYS  63  92.386  -3.217  -3.114
  495   1HG   LYS  63          HG2       LYS  63  94.515  -2.230  -4.323
  496   2HG   LYS  63          HG1       LYS  63  94.371  -0.968  -3.099
  497   1HD   LYS  63          HD2       LYS  63  95.169  -2.332  -1.489
  498   2HD   LYS  63          HD1       LYS  63  94.042  -3.614  -1.933
  499   1HE   LYS  63          HE2       LYS  63  95.686  -4.754  -3.000
  500   2HE   LYS  63          HE1       LYS  63  96.110  -3.322  -3.959
  501   1HZ   LYS  63          HZ1       LYS  63  96.978  -3.951  -1.191
  502   2HZ   LYS  63          HZ2       LYS  63  97.205  -2.435  -1.923
  503   3HZ   LYS  63          HZ3       LYS  63  97.960  -3.814  -2.567
  504    H    TYR  64           HN       TYR  64  89.903  -3.027  -3.861
  505    HA   TYR  64           HA       TYR  64  88.303  -0.532  -3.859
  506   1HB   TYR  64          HB2       TYR  64  87.923  -3.039  -5.477
  507   2HB   TYR  64          HB1       TYR  64  86.561  -2.006  -5.092
  508    HD1  TYR  64           HD1      TYR  64  89.362  -2.517  -7.259
  509    HD2  TYR  64           HD2      TYR  64  86.734   0.501  -5.699
  510    HE1  TYR  64           HE1      TYR  64  89.988  -1.009  -9.126
  511    HE2  TYR  64           HE2      TYR  64  87.361   2.010  -7.565
  512    HH   TYR  64           HH       TYR  64  88.371   1.382 -10.172
  513    H    LEU  65           HN       LEU  65  85.970  -1.185  -3.164
  514    HA   LEU  65           HA       LEU  65  85.771  -3.406  -1.227
  515   1HB   LEU  65          HB2       LEU  65  86.233  -0.543  -0.606
  516   2HB   LEU  65          HB1       LEU  65  84.992  -1.338   0.334
  517    HG   LEU  65           HG       LEU  65  86.992  -3.212   0.383
  518   1HD1  LEU  65          HD11      LEU  65  89.076  -2.277   0.342
  519   2HD1  LEU  65          HD12      LEU  65  88.521  -0.770   1.070
  520   3HD1  LEU  65          HD13      LEU  65  88.289  -1.053  -0.655
  521   1HD2  LEU  65          HD21      LEU  65  86.222  -2.887   2.494
  522   2HD2  LEU  65          HD22      LEU  65  85.854  -1.192   2.184
  523   3HD2  LEU  65          HD23      LEU  65  87.492  -1.671   2.629
  524    H    HIS  66           HN       HIS  66  83.519  -2.933  -0.048
  525    HA   HIS  66           HA       HIS  66  81.509  -1.543  -1.682
  526   1HB   HIS  66          HB2       HIS  66  82.158  -4.416  -1.885
  527   2HB   HIS  66          HB1       HIS  66  80.448  -4.083  -1.639
  528    HD1  HIS  66           HD1      HIS  66  82.774  -4.468  -4.289
  529    HD2  HIS  66           HD2      HIS  66  79.648  -1.800  -3.584
  530    HE1  HIS  66           HE1      HIS  66  82.167  -3.466  -6.534
  531    H    LEU  67           HN       LEU  67  80.473  -0.565   0.157
  532    HA   LEU  67           HA       LEU  67  79.848  -2.488   2.351
  533   1HB   LEU  67          HB2       LEU  67  80.186   0.307   3.096
  534   2HB   LEU  67          HB1       LEU  67  80.878  -1.163   3.770
  535    HG   LEU  67           HG       LEU  67  81.913   0.104   1.238
  536   1HD1  LEU  67          HD11      LEU  67  83.805   0.393   3.286
  537   2HD1  LEU  67          HD12      LEU  67  82.276   0.887   4.014
  538   3HD1  LEU  67          HD13      LEU  67  82.851   1.681   2.548
  539   1HD2  LEU  67          HD21      LEU  67  82.236  -2.420   2.215
  540   2HD2  LEU  67          HD22      LEU  67  83.591  -1.595   2.984
  541   3HD2  LEU  67          HD23      LEU  67  83.434  -1.591   1.229
  542    H    LYS  68           HN       LYS  68  78.125  -1.695   3.771
  543    HA   LYS  68           HA       LYS  68  75.834  -0.866   2.112
  544   1HB   LYS  68          HB2       LYS  68  76.426  -2.753   3.990
  545   2HB   LYS  68          HB1       LYS  68  75.534  -1.570   4.924
  546   1HG   LYS  68          HG2       LYS  68  73.711  -2.716   4.091
  547   2HG   LYS  68          HG1       LYS  68  73.958  -1.614   2.742
  548   1HD   LYS  68          HD2       LYS  68  75.721  -3.693   2.204
  549   2HD   LYS  68          HD1       LYS  68  74.298  -4.515   2.845
  550   1HE   LYS  68          HE2       LYS  68  74.011  -2.354   0.752
  551   2HE   LYS  68          HE1       LYS  68  74.333  -4.038   0.294
  552   1HZ   LYS  68          HZ1       LYS  68  72.145  -3.137   2.093
  553   2HZ   LYS  68          HZ2       LYS  68  72.453  -4.740   1.623
  554   3HZ   LYS  68          HZ3       LYS  68  71.944  -3.598   0.473
  555    H    VAL  69           HN       VAL  69  74.183   0.438   3.051
  556    HA   VAL  69           HA       VAL  69  74.701   2.199   5.325
  557    HB   VAL  69           HB       VAL  69  74.489   3.303   2.502
  558   1HG1  VAL  69          HG11      VAL  69  73.554   5.025   3.678
  559   2HG1  VAL  69          HG12      VAL  69  75.228   5.373   4.108
  560   3HG1  VAL  69          HG13      VAL  69  74.207   4.456   5.215
  561   1HG2  VAL  69          HG21      VAL  69  76.782   3.107   4.466
  562   2HG2  VAL  69          HG22      VAL  69  76.795   4.220   3.098
  563   3HG2  VAL  69          HG23      VAL  69  76.719   2.480   2.819
  564    H    PHE  70           HN       PHE  70  72.739   0.794   5.746
  565    HA   PHE  70           HA       PHE  70  70.372   1.136   4.096
  566   1HB   PHE  70          HB2       PHE  70  70.777  -0.906   5.312
  567   2HB   PHE  70          HB1       PHE  70  70.912  -0.031   6.836
  568    HD1  PHE  70           HD1      PHE  70  69.117  -0.923   8.101
  569    HD2  PHE  70           HD2      PHE  70  68.421   0.519   4.115
  570    HE1  PHE  70           HE1      PHE  70  66.671  -1.149   8.447
  571    HE2  PHE  70           HE2      PHE  70  65.976   0.292   4.462
  572    HZ   PHE  70           HZ       PHE  70  65.101  -0.541   6.627
  573    H    LYS  71           HN       LYS  71  68.673   2.488   4.371
  574    HA   LYS  71           HA       LYS  71  68.791   4.466   6.621
  575   1HB   LYS  71          HB2       LYS  71  69.204   5.198   4.215
  576   2HB   LYS  71          HB1       LYS  71  67.531   4.754   3.879
  577   1HG   LYS  71          HG2       LYS  71  66.774   6.326   5.638
  578   2HG   LYS  71          HG1       LYS  71  68.450   6.796   5.923
  579   1HD   LYS  71          HD2       LYS  71  68.135   8.373   4.334
  580   2HD   LYS  71          HD1       LYS  71  68.170   7.048   3.170
  581   1HE   LYS  71          HE2       LYS  71  66.067   7.756   2.617
  582   2HE   LYS  71          HE1       LYS  71  65.567   6.940   4.112
  583   1HZ   LYS  71          HZ1       LYS  71  66.725   9.630   4.289
  584   2HZ   LYS  71          HZ2       LYS  71  65.585   8.879   5.299
  585   3HZ   LYS  71          HZ3       LYS  71  65.113   9.484   3.783
  586    H    SER  72           HN       SER  72  67.389   3.344   8.053
  587    HA   SER  72           HA       SER  72  65.005   1.956   7.399
  588   1HB   SER  72          HB2       SER  72  64.576   2.157   9.760
  589   2HB   SER  72          HB1       SER  72  66.319   2.000   9.543
  590    HG   SER  72           HG       SER  72  66.558   3.955  10.266
  591    H    LEU  73           HN       LEU  73  63.601   3.909   9.468
  592    HA   LEU  73           HA       LEU  73  62.612   5.880   7.477
  593   1HB   LEU  73          HB2       LEU  73  60.737   4.433   9.335
  594   2HB   LEU  73          HB1       LEU  73  60.391   5.177   7.775
  595    HG   LEU  73           HG       LEU  73  62.136   3.289   6.975
  596   1HD1  LEU  73          HD11      LEU  73  60.713   1.474   8.717
  597   2HD1  LEU  73          HD12      LEU  73  61.645   2.628   9.670
  598   3HD1  LEU  73          HD13      LEU  73  62.451   1.629   8.461
  599   1HD2  LEU  73          HD21      LEU  73  59.556   3.798   6.512
  600   2HD2  LEU  73          HD22      LEU  73  59.345   2.348   7.493
  601   3HD2  LEU  73          HD23      LEU  73  60.292   2.276   6.007
  602    HA   PRO  74           HA       PRO  74  62.773   8.752  10.762
  603   1HB   PRO  74          HB2       PRO  74  60.424  10.138  10.477
  604   2HB   PRO  74          HB1       PRO  74  61.790  10.307   9.374
  605   1HG   PRO  74          HG2       PRO  74  59.328   8.670   9.054
  606   2HG   PRO  74          HG1       PRO  74  60.145   9.711   7.873
  607   1HD   PRO  74          HD2       PRO  74  60.450   7.042   7.852
  608   2HD   PRO  74          HD1       PRO  74  61.784   8.138   7.422
  609    H    GLY  75           HN       GLY  75  59.550   7.408  10.425
  610   1HA   GLY  75          HA2       GLY  75  58.596   7.801  13.028
  611   2HA   GLY  75          HA1       GLY  75  58.052   6.498  11.986
  612    H    GLN  76           HN       GLN  76  61.200   5.774  12.216
  613    HA   GLN  76           HA       GLN  76  60.938   4.512  14.909
  614   1HB   GLN  76          HB2       GLN  76  60.501   3.248  12.453
  615   2HB   GLN  76          HB1       GLN  76  62.102   2.708  12.955
  616   1HG   GLN  76          HG2       GLN  76  61.112   1.271  14.372
  617   2HG   GLN  76          HG1       GLN  76  60.529   2.661  15.288
  618   1HE2  GLN  76          HE21      GLN  76  59.627   0.308  12.782
  619   2HE2  GLN  76          HE22      GLN  76  57.963   0.637  12.832
  620    H    ASN  77           HN       ASN  77  63.413   3.812  12.455
  621    HA   ASN  77           HA       ASN  77  65.416   5.072  14.265
  622   1HB   ASN  77          HB2       ASN  77  66.824   3.133  13.568
  623   2HB   ASN  77          HB1       ASN  77  65.355   2.652  14.406
  624   1HD2  ASN  77          HD21      ASN  77  67.081   1.334  12.159
  625   2HD2  ASN  77          HD22      ASN  77  65.923   0.880  11.004
  626    H    GLU  78           HN       GLU  78  64.324   6.479  12.053
  627    HA   GLU  78           HA       GLU  78  65.110   6.651   9.576
  628   1HB   GLU  78          HB2       GLU  78  64.817   8.856   9.946
  629   2HB   GLU  78          HB1       GLU  78  64.378   8.341  11.541
  630   1HG   GLU  78          HG2       GLU  78  67.253   9.007  10.942
  631   2HG   GLU  78          HG1       GLU  78  66.098  10.299  11.229
  632    H    ASP  79           HN       ASP  79  67.374   7.050  12.208
  633    HA   ASP  79           HA       ASP  79  69.739   7.790  10.993
  634   1HB   ASP  79          HB2       ASP  79  69.323   5.549  12.969
  635   2HB   ASP  79          HB1       ASP  79  70.842   6.386  12.704
  636    H    LEU  80           HN       LEU  80  71.620   6.323  10.315
  637    HA   LEU  80           HA       LEU  80  70.627   4.434   8.269
  638   1HB   LEU  80          HB2       LEU  80  73.376   5.557   8.885
  639   2HB   LEU  80          HB1       LEU  80  72.935   4.662   7.436
  640    HG   LEU  80           HG       LEU  80  72.750   6.881   6.714
  641   1HD1  LEU  80          HD11      LEU  80  69.960   6.692   7.789
  642   2HD1  LEU  80          HD12      LEU  80  70.524   5.443   6.678
  643   3HD1  LEU  80          HD13      LEU  80  70.509   7.134   6.172
  644   1HD2  LEU  80          HD21      LEU  80  72.492   8.669   8.098
  645   2HD2  LEU  80          HD22      LEU  80  72.769   7.495   9.384
  646   3HD2  LEU  80          HD23      LEU  80  71.122   7.942   8.937
  647    H    VAL  81           HN       VAL  81  72.073   2.440   7.925
  648    HA   VAL  81           HA       VAL  81  73.318   1.283  10.325
  649    HB   VAL  81           HB       VAL  81  70.612   0.480   9.251
  650   1HG1  VAL  81          HG11      VAL  81  72.082  -1.535   9.363
  651   2HG1  VAL  81          HG12      VAL  81  70.772  -1.590  10.542
  652   3HG1  VAL  81          HG13      VAL  81  72.405  -1.171  11.058
  653   1HG2  VAL  81          HG21      VAL  81  70.245   0.404  11.817
  654   2HG2  VAL  81          HG22      VAL  81  70.424   1.990  11.065
  655   3HG2  VAL  81          HG23      VAL  81  71.782   1.261  11.922
  656    H    LEU  82           HN       LEU  82  74.761  -0.332   9.717
  657    HA   LEU  82           HA       LEU  82  75.171  -0.792   6.845
  658   1HB   LEU  82          HB2       LEU  82  77.155  -0.476   7.939
  659   2HB   LEU  82          HB1       LEU  82  76.562  -1.151   9.449
  660    HG   LEU  82           HG       LEU  82  76.603  -3.430   8.136
  661   1HD1  LEU  82          HD11      LEU  82  78.685  -1.856   6.604
  662   2HD1  LEU  82          HD12      LEU  82  77.094  -2.253   5.953
  663   3HD1  LEU  82          HD13      LEU  82  78.227  -3.542   6.361
  664   1HD2  LEU  82          HD21      LEU  82  78.914  -1.879   9.266
  665   2HD2  LEU  82          HD22      LEU  82  79.161  -3.510   8.639
  666   3HD2  LEU  82          HD23      LEU  82  78.039  -3.238   9.972
  667    H    THR  83           HN       THR  83  74.223  -2.451   5.799
  668    HA   THR  83           HA       THR  83  73.101  -4.719   7.322
  669    HB   THR  83           HB       THR  83  72.920  -4.491   4.364
  670    HG1  THR  83           HG1      THR  83  71.158  -2.909   4.870
  671   1HG2  THR  83          HG21      THR  83  70.403  -4.748   5.305
  672   2HG2  THR  83          HG22      THR  83  71.299  -5.431   6.662
  673   3HG2  THR  83          HG23      THR  83  71.476  -6.124   5.049
  674    H    GLY  84           HN       GLY  84  75.894  -3.969   5.357
  675   1HA   GLY  84          HA2       GLY  84  77.324  -6.286   5.927
  676   2HA   GLY  84          HA1       GLY  84  76.398  -6.708   4.489
  677    H    TYR  85           HN       TYR  85  79.361  -6.246   4.819
  678    HA   TYR  85           HA       TYR  85  79.517  -4.211   2.666
  679   1HB   TYR  85          HB2       TYR  85  81.578  -3.423   3.904
  680   2HB   TYR  85          HB1       TYR  85  80.044  -3.085   4.667
  681    HD1  TYR  85           HD1      TYR  85  80.012  -3.412   6.957
  682    HD2  TYR  85           HD2      TYR  85  82.433  -5.998   4.528
  683    HE1  TYR  85           HE1      TYR  85  80.727  -4.644   8.983
  684    HE2  TYR  85           HE2      TYR  85  83.146  -7.231   6.555
  685    HH   TYR  85           HH       TYR  85  82.614  -7.595   8.767
  686    H    GLN  86           HN       GLN  86  82.265  -4.203   2.351
  687    HA   GLN  86           HA       GLN  86  83.134  -6.984   1.813
  688   1HB   GLN  86          HB2       GLN  86  82.016  -4.949  -0.011
  689   2HB   GLN  86          HB1       GLN  86  83.477  -5.761  -0.602
  690   1HG   GLN  86          HG2       GLN  86  82.316  -7.644  -1.060
  691   2HG   GLN  86          HG1       GLN  86  81.696  -7.701   0.588
  692   1HE2  GLN  86          HE21      GLN  86  80.199  -5.241   0.572
  693   2HE2  GLN  86          HE22      GLN  86  78.903  -5.422  -0.510
  694    H    VAL  87           HN       VAL  87  85.449  -7.012   1.173
  695    HA   VAL  87           HA       VAL  87  86.897  -4.537   1.961
  696    HB   VAL  87           HB       VAL  87  88.629  -6.169   2.635
  697   1HG1  VAL  87          HG11      VAL  87  86.591  -7.525   4.059
  698   2HG1  VAL  87          HG12      VAL  87  85.996  -5.891   3.762
  699   3HG1  VAL  87          HG13      VAL  87  87.531  -6.133   4.597
  700   1HG2  VAL  87          HG21      VAL  87  87.029  -8.554   2.500
  701   2HG2  VAL  87          HG22      VAL  87  88.613  -8.254   1.782
  702   3HG2  VAL  87          HG23      VAL  87  87.149  -7.848   0.887
  703    H    ASP  88           HN       ASP  88  89.144  -6.447   0.877
  704    HA   ASP  88           HA       ASP  88  89.655  -5.016  -1.547
  705   1HB   ASP  88          HB2       ASP  88  90.768  -7.446  -0.160
  706   2HB   ASP  88          HB1       ASP  88  91.388  -6.957  -1.738
  707    H    LYS  89           HN       LYS  89  87.102  -5.962  -2.004
  708    HA   LYS  89           HA       LYS  89  86.968  -8.509  -3.333
  709   1HB   LYS  89          HB2       LYS  89  85.376  -5.934  -3.612
  710   2HB   LYS  89          HB1       LYS  89  84.875  -7.487  -4.283
  711   1HG   LYS  89          HG2       LYS  89  85.222  -6.759  -1.363
  712   2HG   LYS  89          HG1       LYS  89  83.744  -7.266  -2.180
  713   1HD   LYS  89          HD2       LYS  89  84.773  -9.488  -2.617
  714   2HD   LYS  89          HD1       LYS  89  86.207  -8.978  -1.726
  715   1HE   LYS  89          HE2       LYS  89  85.212  -9.382   0.273
  716   2HE   LYS  89          HE1       LYS  89  83.739  -8.518  -0.211
  717   1HZ   LYS  89          HZ1       LYS  89  83.135 -10.433  -1.587
  718   2HZ   LYS  89          HZ2       LYS  89  83.269 -10.868   0.050
  719   3HZ   LYS  89          HZ3       LYS  89  84.506 -11.269  -1.043
  720    H    ASN  90           HN       ASN  90  85.931  -7.765  -5.905
  721    HA   ASN  90           HA       ASN  90  88.297  -6.448  -7.188
  722   1HB   ASN  90          HB2       ASN  90  87.388  -9.212  -7.278
  723   2HB   ASN  90          HB1       ASN  90  87.439  -8.507  -8.894
  724   1HD2  ASN  90          HD21      ASN  90  89.562  -7.890  -6.038
  725   2HD2  ASN  90          HD22      ASN  90  91.001  -8.310  -6.836
  726    H    LYS  91           HN       LYS  91  87.534  -6.586  -9.802
  727    HA   LYS  91           HA       LYS  91  85.239  -4.750  -9.892
  728   1HB   LYS  91          HB2       LYS  91  87.627  -5.050 -11.228
  729   2HB   LYS  91          HB1       LYS  91  86.477  -5.711 -12.389
  730   1HG   LYS  91          HG2       LYS  91  85.077  -3.587 -11.913
  731   2HG   LYS  91          HG1       LYS  91  86.556  -2.942 -11.197
  732   1HD   LYS  91          HD2       LYS  91  86.871  -4.220 -13.852
  733   2HD   LYS  91          HD1       LYS  91  85.959  -2.710 -13.835
  734   1HE   LYS  91          HE2       LYS  91  87.792  -1.455 -13.199
  735   2HE   LYS  91          HE1       LYS  91  88.508  -2.787 -12.269
  736   1HZ   LYS  91          HZ1       LYS  91  89.578  -2.243 -14.498
  737   2HZ   LYS  91          HZ2       LYS  91  88.196  -2.928 -15.207
  738   3HZ   LYS  91          HZ3       LYS  91  89.196  -3.870 -14.207
  739    H    ASP  92           HN       ASP  92  86.015  -8.061 -10.898
  740    HA   ASP  92           HA       ASP  92  83.387  -8.400 -12.190
  741   1HB   ASP  92          HB2       ASP  92  86.080  -9.553 -12.161
  742   2HB   ASP  92          HB1       ASP  92  84.813 -10.759 -12.213
  743    H    ASP  93           HN       ASP  93  83.806  -8.112  -9.139
  744    HA   ASP  93           HA       ASP  93  83.217 -10.746  -8.048
  745   1HB   ASP  93          HB2       ASP  93  83.843  -7.995  -7.249
  746   2HB   ASP  93          HB1       ASP  93  82.702  -8.783  -6.181
  747    H    GLU  94           HN       GLU  94  81.186 -10.755  -6.492
  748    HA   GLU  94           HA       GLU  94  78.834  -9.901  -8.122
  749   1HB   GLU  94          HB2       GLU  94  79.385 -12.319  -7.340
  750   2HB   GLU  94          HB1       GLU  94  78.852 -11.768  -5.751
  751   1HG   GLU  94          HG2       GLU  94  76.689 -11.920  -6.357
  752   2HG   GLU  94          HG1       GLU  94  76.976 -10.918  -7.781
  753    H    LEU  95           HN       LEU  95  76.947  -9.035  -6.893
  754    HA   LEU  95           HA       LEU  95  77.773  -7.619  -4.383
  755   1HB   LEU  95          HB2       LEU  95  76.533  -6.718  -6.948
  756   2HB   LEU  95          HB1       LEU  95  76.031  -5.908  -5.465
  757    HG   LEU  95           HG       LEU  95  78.952  -6.336  -6.030
  758   1HD1  LEU  95          HD11      LEU  95  77.793  -5.215  -8.011
  759   2HD1  LEU  95          HD12      LEU  95  79.087  -4.285  -7.255
  760   3HD1  LEU  95          HD13      LEU  95  77.402  -3.892  -6.914
  761   1HD2  LEU  95          HD21      LEU  95  79.096  -4.258  -4.654
  762   2HD2  LEU  95          HD22      LEU  95  78.297  -5.578  -3.800
  763   3HD2  LEU  95          HD23      LEU  95  77.340  -4.271  -4.498
  764    H    THR  96           HN       THR  96  75.190  -9.178  -6.210
  765    HA   THR  96           HA       THR  96  73.163  -8.709  -4.146
  766    HB   THR  96           HB       THR  96  72.778 -10.811  -6.178
  767    HG1  THR  96           HG1      THR  96  73.259  -9.638  -7.865
  768   1HG2  THR  96          HG21      THR  96  71.012  -8.687  -6.567
  769   2HG2  THR  96          HG22      THR  96  71.315  -8.690  -4.830
  770   3HG2  THR  96          HG23      THR  96  70.700 -10.142  -5.620
  771    H    GLY  97           HN       GLY  97  71.895 -11.001  -3.680
  772   1HA   GLY  97          HA2       GLY  97  71.998 -12.829  -2.190
  773   2HA   GLY  97          HA1       GLY  97  73.203 -13.425  -3.333
  774    H    PHE  98           HN       PHE  98  73.552 -10.495  -1.402
  775    HA   PHE  98           HA       PHE  98  75.623 -11.870   0.267
  776   1HB   PHE  98          HB2       PHE  98  77.028 -10.830  -1.232
  777   2HB   PHE  98          HB1       PHE  98  75.818  -9.638  -1.689
  778    HD1  PHE  98           HD1      PHE  98  78.770 -10.252   0.246
  779    HD2  PHE  98           HD2      PHE  98  75.254  -7.793   0.037
  780    HE1  PHE  98           HE1      PHE  98  79.854  -8.574   1.713
  781    HE2  PHE  98           HE2      PHE  98  76.339  -6.116   1.506
  782    HZ   PHE  98           HZ       PHE  98  78.639  -6.503   2.341