*HEADER    PROTEIN BINDING                         08-SEP-00   1GD4              
*TITLE     SOLUTION STRUCTURE OF P25S 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 1GD4    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 

! 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#  ) 5.0 4.2 3.0 ! 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 HA2  ) (resi    6  and name HN   ) 2.7 0.9 0.2 
assign (resi    5  and name HA2  ) (resi    7  and name HA   ) 4.0 2.2 1.0 
assign (resi    5  and name HA1  ) (resi    6  and name HN   ) 2.7 0.9 1.2 
assign (resi    5  and name HA1  ) (resi    7  and name HA   ) 4.0 2.2 1.0 
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    7  and name HA   ) 4.0 3.2 2.0 ! G5    

! residue L6  
assign (resi    6  and name HN   ) (resi    6  and name HB2  ) 2.7 0.9 1.2 
assign (resi    6  and name HN   ) (resi    6  and name HB1  ) 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*  ) 5.0 5.7 4.5 ! 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 HD1# ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HA   ) (resi    6  and name HD2# ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HA   ) (resi    7  and name HN   ) 2.7 0.9 0.2 
assign (resi    6  and name HA   ) (resi   46  and name HB2  ) 4.0 2.2 1.0 
assign (resi    6  and name HA   ) (resi   46  and name HB1  ) 4.0 2.2 1.0 
assign (resi    6  and name HB2  ) (resi    7  and name HN   ) 3.0 1.2 0.5 
assign (resi    6  and name HB2  ) (resi    8  and name HA   ) 4.0 2.2 1.0 
assign (resi    6  and name HB2  ) (resi   44  and name HB1  ) 4.0 2.2 1.0 
assign (resi    6  and name HB1  ) (resi    7  and name HN   ) 3.0 1.2 0.5 
assign (resi    6  and name HB1  ) (resi   44  and name HB1  ) 5.0 3.2 2.0 
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   44  and name HB1  ) 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   96  and name HA   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD1# ) (resi   97  and name HN   ) 5.0 4.7 3.5 ! 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   44  and name HB1  ) 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   96  and name HA   ) 5.0 4.7 3.5 ! L6    
assign (resi    6  and name HD2# ) (resi   97  and name HN   ) 5.0 4.7 3.5 ! 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   44  and name HB2  ) 5.0 5.7 4.5 ! L6    
assign (resi    6  and name HD*  ) (resi   44  and name HB1  ) 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   54  and name HE#  ) 5.0 8.7 7.5 ! L6     Y54  
assign (resi    6  and name HD*  ) (resi   96  and name HA   ) 4.0 4.7 3.5 ! L6    
assign (resi    6  and name HD*  ) (resi   97  and name HN   ) 4.0 4.7 3.5 ! 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    8  and name HN   ) 3.0 1.2 0.5 
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   46  and name HB1  ) 5.0 3.2 2.0 
assign (resi    7  and name HA   ) (resi    8  and name HB2  ) 4.0 2.2 1.0 
assign (resi    7  and name HA   ) (resi   44  and name HB2  ) 5.0 3.2 2.0 
assign (resi    7  and name HB#  ) (resi    8  and name HN   ) 4.0 3.2 2.0 ! S7    
assign (resi    7  and name HB#  ) (resi   45  and name HN   ) 4.0 3.2 2.0 ! S7    
assign (resi    7  and name HB#  ) (resi   46  and name HE#  ) 5.0 4.2 3.0 ! S7    
assign (resi    7  and name HB#  ) (resi   53  and name HA   ) 5.0 4.2 3.0 ! S7    

! 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#  ) 5.0 4.2 3.0 ! 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   10  and name HE#  ) 5.0 4.2 3.0 ! K10   
assign (resi    8  and name HA   ) (resi   44  and name HE#  ) 5.0 4.2 3.0 ! 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 HB1  ) (resi   10  and name HB#  ) 5.0 4.2 3.0 ! K10   
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 HE#  ) 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 HE#  ) 5.0 4.2 3.0 ! 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 HA   ) 4.0 2.2 1.0 
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   10  and name HG#  ) 5.0 4.2 3.0 ! 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   43  and name HB1  ) 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 HB1  ) 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 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 HB2  ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   42  and name HB1  ) 5.0 4.7 3.5 ! 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   43  and name HA   ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HN   ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HA   ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HB1  ) 5.0 4.7 3.5 ! A9    
assign (resi    9  and name HB#  ) (resi   44  and name HE#  ) 5.0 5.7 4.5 ! A9     K44  
assign (resi    9  and name HB#  ) (resi   55  and name HA   ) 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 HG#  ) 4.0 3.2 2.0 ! K10   
assign (resi   10  and name HN   ) (resi   10  and name HD#  ) 5.0 4.2 3.0 ! K10   
assign (resi   10  and name HN   ) (resi   11  and name HD#  ) 5.0 4.2 3.0 ! P11   
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  ) 4.0 2.2 1.0 
assign (resi   10  and name HN   ) (resi   42  and name HG#  ) 5.0 4.2 3.0 ! 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   43  and name HE#  ) 5.0 6.2 5.0 ! Y43   
assign (resi   10  and name HN   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! K44   
assign (resi   10  and name HA   ) (resi   10  and name HG2  ) 3.0 1.2 0.5 
assign (resi   10  and name HA   ) (resi   10  and name HG1  ) 3.0 1.2 0.5 
assign (resi   10  and name HA   ) (resi   10  and name HD#  ) 5.0 4.2 3.0 ! K10   
assign (resi   10  and name HA   ) (resi   10  and name HE#  ) 5.0 4.2 3.0 ! K10   
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  ) 2.7 0.9 0.2 
assign (resi   10  and name HA   ) (resi   11  and name HD1  ) 2.7 0.9 0.2 
assign (resi   10  and name HA   ) (resi   11  and name HD#  ) 2.7 1.9 1.2 ! P11   
assign (resi   10  and name HA   ) (resi   42  and name HB2  ) 4.0 2.2 1.0 
assign (resi   10  and name HA   ) (resi   42  and name HB1  ) 4.0 2.2 1.0 
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#  ) 4.0 4.2 3.0 ! K10    P11  
assign (resi   10  and name HB#  ) (resi   43  and name HN   ) 5.0 4.2 3.0 ! K10   
assign (resi   10  and name HB#  ) (resi   43  and name HB1  ) 5.0 4.2 3.0 ! K10   
assign (resi   10  and name HB#  ) (resi   43  and name HE#  ) 5.0 7.2 6.0 ! K10    Y43  
assign (resi   10  and name HG#  ) (resi   16  and name HD#  ) 4.0 3.2 2.0 ! K10   
assign (resi   10  and name HD#  ) (resi   16  and name HD#  ) 4.0 3.2 2.0 ! K10   

! 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   12  and name HB#  ) 5.0 4.7 3.5 ! A12   
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 HB#  ) (resi   42  and name HA   ) 5.0 4.2 3.0 ! P11   
assign (resi   11  and name HG#  ) (resi   12  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   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 HN   ) (resi   43  and name HE#  ) 5.0 6.2 5.0 ! 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 HG2# ) 5.0 4.7 3.5 ! I16   
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   40  and name HB#  ) 5.0 4.7 3.5 ! A40   
assign (resi   12  and name HA   ) (resi   42  and name HA   ) 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#  ) 5.0 6.2 5.0 ! 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 HB   ) 4.0 3.7 2.5 ! A12   
assign (resi   12  and name HB#  ) (resi   16  and name HG2# ) 5.0 6.2 5.0 ! A12    I16  
assign (resi   12  and name HB#  ) (resi   16  and name HG1# ) 5.0 5.7 4.5 ! A12    I16  
assign (resi   12  and name HB#  ) (resi   17  and name HN   ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   17  and name HE21 ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   17  and name HE22 ) 5.0 4.7 3.5 ! A12   
assign (resi   12  and name HB#  ) (resi   17  and name HE#  ) 5.0 4.7 3.5 ! 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   ) 5.0 4.7 3.5 ! A12   

! 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 HG2# ) 5.0 4.7 3.5 ! I16   
assign (resi   13  and name HN   ) (resi   16  and name HG12 ) 4.0 2.2 1.0 
assign (resi   13  and name HN   ) (resi   16  and name HG11 ) 4.0 2.2 1.0 
assign (resi   13  and name HN   ) (resi   16  and name HG1# ) 4.0 3.2 2.0 ! 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   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 HB#  ) 4.0 3.2 2.0 ! P14   
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   14  and name HD#  ) 2.7 1.9 1.2 ! P14   
assign (resi   13  and name HA   ) (resi   15  and name HN   ) 4.0 2.2 1.0 
assign (resi   13  and name HA   ) (resi   41  and name HA   ) 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   

! 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 HA   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assign (resi   14  and name HB2  ) (resi   17  and name HE21 ) 5.0 3.2 2.0 
assign (resi   14  and name HB2  ) (resi   17  and name HE22 ) 5.0 3.2 2.0 
assign (resi   14  and name HB1  ) (resi   17  and name HE21 ) 5.0 3.2 2.0 
assign (resi   14  and name HB1  ) (resi   17  and name HE22 ) 5.0 3.2 2.0 
assign (resi   14  and name HB#  ) (resi   15  and name HN   ) 4.0 3.2 2.0 ! P14   
assign (resi   14  and name HB#  ) (resi   17  and name HE#  ) 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   17  and name HN   ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   15  and name HB2  ) 2.7 0.9 0.2 
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  ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   15  and name HG1  ) 3.0 1.2 0.5 
assign (resi   15  and name HA   ) (resi   17  and name HN   ) 4.0 2.2 1.0 
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  ) 4.0 2.2 1.0 
assign (resi   15  and name HA   ) (resi   18  and name HB1  ) 4.0 2.2 1.0 
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 HB2  ) (resi   16  and name HA   ) 3.0 1.2 0.5 
assign (resi   15  and name HB2  ) (resi   16  and name HD#  ) 3.0 1.2 0.5 
assign (resi   15  and name HB2  ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assign (resi   15  and name HG#  ) (resi   16  and name HN   ) 5.0 4.2 3.0 ! E15   

! 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   18  and name HN   ) 3.0 1.2 0.5 
assign (resi   16  and name HA   ) (resi   16  and name HD#  ) 2.7 0.9 0.2 
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 HG2# ) 4.0 3.7 2.5 ! I19   
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 HD#  ) 4.0 2.2 1.0 
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 HB   ) (resi   40  and name HB#  ) 4.0 3.7 2.5 ! A40   
assign (resi   16  and name HG2# ) (resi   17  and name HN   ) 5.0 4.7 3.5 ! I16   
assign (resi   16  and name HG2# ) (resi   17  and name HA   ) 5.0 4.7 3.5 ! I16   
assign (resi   16  and name HG2# ) (resi   40  and name HB#  ) 5.0 6.2 5.0 ! I16    A40  
assign (resi   16  and name HG2# ) (resi   43  and name HA   ) 5.0 4.7 3.5 ! I16   
assign (resi   16  and name HG2# ) (resi   43  and name HB1  ) 5.0 4.7 3.5 ! I16   
assign (resi   16  and name HG2# ) (resi   43  and name HD#  ) 5.0 6.7 5.5 ! I16    Y43  
assign (resi   16  and name HG12 ) (resi   17  and name HN   ) 5.0 3.2 2.0 
assign (resi   16  and name HG11 ) (resi   17  and name HN   ) 5.0 3.2 2.0 
assign (resi   16  and name HG1# ) (resi   17  and name HN   ) 5.0 4.2 3.0 ! I16   
assign (resi   16  and name HG1# ) (resi   43  and name HD#  ) 5.0 6.2 5.0 ! I16    Y43  
assign (resi   16  and name HD#  ) (resi   17  and name HN   ) 5.0 3.2 2.0 

! residue Q17 
assign (resi   17  and name HN   ) (resi   17  and name HB#  ) 4.0 3.2 2.0 ! Q17   
assign (resi   17  and name HN   ) (resi   17  and name HE#  ) 3.0 1.2 0.5 
assign (resi   17  and name HN   ) (resi   18  and name HG2  ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   18  and name HG1  ) 4.0 2.2 1.0 
assign (resi   17  and name HN   ) (resi   19  and name HN   ) 2.7 0.9 1.2 
assign (resi   17  and name HN   ) (resi   20  and name HN   ) 2.7 0.9 1.2 
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#  ) 5.0 4.7 3.5 ! A40   
assign (resi   17  and name HA   ) (resi   17  and name HE21 ) 5.0 3.2 2.0 
assign (resi   17  and name HA   ) (resi   17  and name HE22 ) 5.0 3.2 2.0 
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   18  and name HG2  ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   18  and name HG1  ) 4.0 2.2 1.0 
assign (resi   17  and name HA   ) (resi   18  and name HG#  ) 4.0 3.2 2.0 ! E18   
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   ) 3.0 1.2 0.5 
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*  ) 4.0 4.7 3.5 ! V20   
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   36  and name HA#  ) 5.0 5.2 4.0 ! Q17    G36  
assign (resi   17  and name HB#  ) (resi   40  and name HB#  ) 5.0 5.7 4.5 ! Q17    A40  
assign (resi   17  and name HE21 ) (resi   20  and name HB   ) 4.0 2.2 1.0 
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   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 HE22 ) (resi   20  and name HB   ) 4.0 2.2 1.0 
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   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 HE#  ) (resi   20  and name HB   ) 3.0 1.2 0.5 
assign (resi   17  and name HE#  ) (resi   20  and name HG*  ) 5.0 5.7 4.5 ! V20   
assign (resi   17  and name HE#  ) (resi   38  and name HN   ) 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   ) 4.0 2.2 1.0 
assign (resi   17  and name HE#  ) (resi   40  and name HN   ) 4.0 2.2 1.0 

! 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 1.2 
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  ) 4.0 2.2 1.0 
assign (resi   18  and name HN   ) (resi   18  and name HG1  ) 4.0 2.2 1.0 
assign (resi   18  and name HN   ) (resi   18  and name HG#  ) 4.0 3.2 2.0 ! E18   
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   ) 4.0 2.2 1.0 
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   20  and name HB   ) 3.0 1.2 0.5 
assign (resi   18  and name HN   ) (resi   21  and name HN   ) 2.7 0.9 1.2 
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   18  and name HB2  ) 2.7 0.9 0.2 
assign (resi   18  and name HA   ) (resi   18  and name HB1  ) 2.7 0.9 0.2 
assign (resi   18  and name HA   ) (resi   18  and name HG2  ) 4.0 2.2 1.0 
assign (resi   18  and name HA   ) (resi   18  and name HG1  ) 4.0 2.2 1.0 
assign (resi   18  and name HA   ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HA   ) (resi   21  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HA   ) (resi   21  and name HA   ) 4.0 2.2 1.0 
assign (resi   18  and name HA   ) (resi   21  and name HB2  ) 2.7 0.9 0.2 
assign (resi   18  and name HA   ) (resi   21  and name HB1  ) 3.0 1.2 0.5 
assign (resi   18  and name HA   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assign (resi   18  and name HB2  ) (resi   19  and name HN   ) 2.7 0.9 0.2 
assign (resi   18  and name HB1  ) (resi   19  and name HN   ) 3.0 1.2 0.5 
assign (resi   18  and name HB1  ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assign (resi   18  and name HG#  ) (resi   19  and name HN   ) 5.0 4.2 3.0 ! E18   
assign (resi   18  and name HG#  ) (resi   21  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 HB   ) 4.0 2.2 1.0 
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   19  and name HG1# ) 3.0 2.2 1.5 ! I19   
assign (resi   19  and name HA   ) (resi   20  and name HG*  ) 5.0 5.7 4.5 ! V20   
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  ) 3.0 1.2 0.5 
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 HG#  ) 4.0 3.2 2.0 ! 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   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   19  and name HB   ) (resi   20  and name HN   ) 2.7 0.9 0.2 
assign (resi   19  and name HB   ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assign (resi   19  and name HB   ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   19  and name HG2# ) (resi   20  and name HN   ) 4.0 3.7 2.5 ! I19   
assign (resi   19  and name HG2# ) (resi   20  and name HA   ) 5.0 4.7 3.5 ! I19   
assign (resi   19  and name HG2# ) (resi   21  and name HN   ) 5.0 4.7 3.5 ! I19   
assign (resi   19  and name HG2# ) (resi   22  and name HN   ) 5.0 4.7 3.5 ! I19   
assign (resi   19  and name HG2# ) (resi   23  and name HN   ) 5.0 4.7 3.5 ! I19   
assign (resi   19  and name HG2# ) (resi   53  and name HN   ) 5.0 4.7 3.5 ! I19   
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   22  and name HN   ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HG1# ) (resi   22  and name HB2  ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HG1# ) (resi   22  and name HB1  ) 5.0 4.2 3.0 ! I19   
assign (resi   19  and name HD#  ) (resi   20  and name HN   ) 5.0 3.2 2.0 
assign (resi   19  and name HD#  ) (resi   52  and name HB2  ) 5.0 3.2 2.0 
assign (resi   19  and name HD#  ) (resi   52  and name HB1  ) 5.0 3.2 2.0 
assign (resi   19  and name HD#  ) (resi   53  and name HD#  ) 5.0 5.2 4.0 ! Y53   
assign (resi   19  and name HD#  ) (resi   53  and name HE#  ) 5.0 6.2 5.0 ! Y53   
assign (resi   19  and name HD#  ) (resi   69  and name HN   ) 5.0 3.2 2.0 

! residue V20 
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   22  and name HN   ) 4.0 2.2 1.0 
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   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   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   21  and name HA   ) 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   21  and name HA   ) 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   24  and name HN   ) 5.0 5.7 4.5 ! V20   
assign (resi   20  and name HG*  ) (resi   35  and name HE#  ) 5.0 8.7 7.5 ! V20    Y35  

! residue D21 
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  ) 3.0 1.2 0.5 
assign (resi   21  and name HN   ) (resi   22  and name HN   ) 2.7 0.9 0.2 
assign (resi   21  and name HN   ) (resi   23  and name HN   ) 4.0 2.2 1.0 
assign (resi   21  and name HN   ) (resi   24  and name HB#  ) 5.0 4.2 3.0 ! K24   
assign (resi   21  and name HA   ) (resi   21  and name HB1  ) 2.7 0.9 0.2 
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 HB#  ) 4.0 3.2 2.0 ! 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 HB2  ) (resi   22  and name HB2  ) 5.0 3.2 2.0 
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 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   22  and name HE#  ) 5.0 4.2 3.0 ! 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 HG1# ) 5.0 4.7 3.5 ! V23   
assign (resi   22  and name HN   ) (resi   23  and name HG2# ) 5.0 4.7 3.5 ! V23   
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   ) 4.0 2.2 1.0 
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   22  and name HG#  ) 3.0 2.2 1.5 ! K22   
assign (resi   22  and name HA   ) (resi   22  and name HD#  ) 5.0 4.2 3.0 ! K22   
assign (resi   22  and name HA   ) (resi   22  and name HE#  ) 5.0 4.2 3.0 ! K22   
assign (resi   22  and name HA   ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   22  and name HA   ) (resi   23  and name HG1# ) 5.0 4.7 3.5 ! V23   
assign (resi   22  and name HA   ) (resi   23  and name HG2# ) 5.0 4.7 3.5 ! V23   
assign (resi   22  and name HA   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   22  and name HA   ) (resi   25  and name HN   ) 4.0 2.2 1.0 
assign (resi   22  and name HB2  ) (resi   23  and name HN   ) 2.7 0.9 0.2 
assign (resi   22  and name HB2  ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
assign (resi   22  and name HB1  ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assign (resi   22  and name HB1  ) (resi   23  and name HG*  ) 5.0 5.7 4.5 ! V23   
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 

! residue V23 
assign (resi   23  and name HN   ) (resi   23  and name HB   ) 3.0 1.2 0.5 
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   23  and name HG*  ) 3.0 3.7 3.0 ! V23   
assign (resi   23  and name HN   ) (resi   24  and name HN   ) 2.7 0.9 0.2 
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   27  and name HB1  ) 4.0 2.2 1.0 
assign (resi   23  and name HN   ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
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 HN   ) 3.0 1.2 0.5 
assign (resi   23  and name HA   ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   23  and name HA   ) (resi   26  and name HB#  ) 4.0 3.2 2.0 ! 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   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   24  and name HA   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   23  and name HB   ) (resi   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   24  and name HA   ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG1# ) (resi   26  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   24  and name HA   ) 5.0 4.7 3.5 ! V23   
assign (resi   23  and name HG2# ) (resi   26  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   70  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   

! 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 HB#  ) 3.0 2.2 1.5 ! K24   
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 HN   ) 2.7 0.9 0.2 
assign (resi   24  and name HN   ) (resi   26  and name HE#  ) 5.0 3.2 2.0 
assign (resi   24  and name HN   ) (resi   27  and name HD*  ) 5.0 5.7 4.5 ! 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   24  and name HD#  ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HA   ) (resi   25  and name HN   ) 3.0 1.2 0.5 
assign (resi   24  and name HA   ) (resi   25  and name HA   ) 4.0 2.2 1.0 
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   ) 2.7 0.9 0.2 
assign (resi   24  and name HA   ) (resi   27  and name HB2  ) 3.0 1.2 0.5 
assign (resi   24  and name HA   ) (resi   27  and name HB1  ) 3.0 1.2 0.5 
assign (resi   24  and name HA   ) (resi   27  and name HD1# ) 5.0 4.7 3.5 ! L27   
assign (resi   24  and name HA   ) (resi   27  and name HD2# ) 5.0 4.7 3.5 ! L27   
assign (resi   24  and name HA   ) (resi   27  and name HD*  ) 4.0 4.7 3.5 ! 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   67  and name HD*  ) 5.0 5.7 4.5 ! L67   
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 HN   ) 4.0 3.2 2.0 ! K24   
assign (resi   24  and name HB#  ) (resi   25  and name HA   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HB#  ) (resi   27  and name HD*  ) 5.0 6.7 5.5 ! K24    L27  
assign (resi   24  and name HB#  ) (resi   35  and name HD#  ) 5.0 6.2 5.0 ! K24    Y35  
assign (resi   24  and name HG2  ) (resi   25  and name HN   ) 5.0 3.2 2.0 
assign (resi   24  and name HG1  ) (resi   25  and name HN   ) 5.0 3.2 2.0 
assign (resi   24  and name HG#  ) (resi   25  and name HN   ) 4.0 3.2 2.0 ! K24   
assign (resi   24  and name HG#  ) (resi   25  and name HA   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HG#  ) (resi   35  and name HE#  ) 5.0 7.2 6.0 ! K24    Y35  
assign (resi   24  and name HG#  ) (resi   37  and name HN   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HD#  ) (resi   25  and name HN   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HD#  ) (resi   25  and name HA   ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HD#  ) (resi   35  and name HB2  ) 5.0 4.2 3.0 ! K24   
assign (resi   24  and name HE#  ) (resi   34  and name HA   ) 5.0 4.2 3.0 ! K24   

! residue P25 
assign (resi   25  and name HN   ) (resi   25  and name HB2  ) 2.7 0.9 0.2 
assign (resi   25  and name HN   ) (resi   25  and name HB1  ) 2.7 0.9 0.2 
assign (resi   25  and name HN   ) (resi   26  and name HN   ) 2.7 0.9 0.2 
assign (resi   25  and name HN   ) (resi   26  and name HB#  ) 4.0 3.2 2.0 ! Q26   
assign (resi   25  and name HN   ) (resi   26  and name HG#  ) 5.0 4.2 3.0 ! Q26   
assign (resi   25  and name HN   ) (resi   26  and name HE21 ) 5.0 3.2 2.0 
assign (resi   25  and name HN   ) (resi   26  and name HE22 ) 5.0 3.2 2.0 
assign (resi   25  and name HN   ) (resi   26  and name HE#  ) 4.0 2.2 1.0 
assign (resi   25  and name HN   ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   25  and name HA   ) (resi   25  and name HB2  ) 2.7 0.9 0.2 
assign (resi   25  and name HA   ) (resi   25  and name HB1  ) 2.7 0.9 0.2 
assign (resi   25  and name HA   ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HA   ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   25  and name HA   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HA   ) (resi   28  and name HB2  ) 3.0 1.2 0.5 
assign (resi   25  and name HA   ) (resi   28  and name HB1  ) 4.0 2.2 1.0 
assign (resi   25  and name HA   ) (resi   28  and name HG#  ) 5.0 4.2 3.0 ! E28   
assign (resi   25  and name HB2  ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HB2  ) (resi   28  and name HB2  ) 5.0 3.2 2.0 
assign (resi   25  and name HB1  ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assign (resi   25  and name HB1  ) (resi   28  and name HB2  ) 5.0 3.2 2.0 
assign (resi   25  and name HB#  ) (resi   28  and name HB2  ) 5.0 4.2 3.0 ! P25   

! residue Q26 
assign (resi   26  and name HN   ) (resi   26  and name HB2  ) 2.7 0.9 0.2 
assign (resi   26  and name HN   ) (resi   26  and name HB1  ) 2.7 0.9 1.2 
assign (resi   26  and name HN   ) (resi   26  and name HB#  ) 2.7 1.9 1.2 ! Q26   
assign (resi   26  and name HN   ) (resi   26  and name HG2  ) 3.0 1.2 0.5 
assign (resi   26  and name HN   ) (resi   26  and name HG1  ) 3.0 1.2 0.5 
assign (resi   26  and name HN   ) (resi   26  and name HG#  ) 2.7 1.9 1.2 ! 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 HB2  ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   27  and name HB1  ) 4.0 2.2 1.0 
assign (resi   26  and name HN   ) (resi   28  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HA   ) (resi   26  and name HG2  ) 4.0 2.2 1.0 
assign (resi   26  and name HA   ) (resi   26  and name HG1  ) 4.0 2.2 1.0 
assign (resi   26  and name HA   ) (resi   26  and name HG#  ) 3.0 2.2 1.5 ! 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   ) 4.0 2.2 1.0 
assign (resi   26  and name HA   ) (resi   29  and name HB#  ) 4.0 3.2 2.0 ! E29   
assign (resi   26  and name HA   ) (resi   29  and name HG#  ) 5.0 4.2 3.0 ! E29   
assign (resi   26  and name HB2  ) (resi   26  and name HE21 ) 5.0 3.2 2.0 
assign (resi   26  and name HB2  ) (resi   26  and name HE22 ) 5.0 3.2 2.0 
assign (resi   26  and name HB2  ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HB1  ) (resi   26  and name HE21 ) 5.0 3.2 2.0 
assign (resi   26  and name HB1  ) (resi   26  and name HE22 ) 5.0 3.2 2.0 
assign (resi   26  and name HB1  ) (resi   27  and name HN   ) 4.0 2.2 1.0 
assign (resi   26  and name HB#  ) (resi   26  and name HE#  ) 4.0 3.2 2.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   27  and name HN   ) 3.0 2.2 1.5 ! Q26   
assign (resi   26  and name HB#  ) (resi   27  and name HB1  ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   82  and name HB2  ) 4.0 3.2 2.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   82  and name HB1  ) 5.0 4.2 3.0 ! Q26   
assign (resi   26  and name HB#  ) (resi   82  and name HD*  ) 5.0 6.7 5.5 ! Q26    L82  
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   80  and name HD1# ) 5.0 4.7 3.5 ! L80   
assign (resi   26  and name HE21 ) (resi   80  and name HD2# ) 5.0 4.7 3.5 ! L80   
assign (resi   26  and name HE21 ) (resi   82  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HE22 ) (resi   80  and name HD1# ) 5.0 4.7 3.5 ! L80   
assign (resi   26  and name HE22 ) (resi   80  and name HD2# ) 5.0 4.7 3.5 ! L80   
assign (resi   26  and name HE22 ) (resi   82  and name HN   ) 5.0 3.2 2.0 
assign (resi   26  and name HE#  ) (resi   27  and name HB1  ) 5.0 3.2 2.0 
assign (resi   26  and name HE#  ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   26  and name HE#  ) (resi   82  and name HN   ) 4.0 2.2 1.0 

! 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   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  ) 4.0 2.2 1.0 
assign (resi   27  and name HA   ) (resi   30  and name HG#  ) 5.0 4.2 3.0 ! K30   
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 HB   ) 4.0 2.2 1.0 
assign (resi   27  and name HA   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   27  and name HB2  ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   27  and name HB1  ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assign (resi   27  and name HB1  ) (resi   35  and name HB2  ) 5.0 3.2 2.0 
assign (resi   27  and name HB1  ) (resi   35  and name HE#  ) 5.0 6.2 5.0 ! Y35   
assign (resi   27  and name HB1  ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
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 HD1# ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HD1# ) (resi   35  and name HE#  ) 5.0 7.7 6.5 ! L27    Y35  
assign (resi   27  and name HD2# ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! L27   
assign (resi   27  and name HD2# ) (resi   35  and name HE#  ) 5.0 7.7 6.5 ! L27    Y35  
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   31  and name HN   ) 5.0 5.7 4.5 ! L27   
assign (resi   27  and name HD*  ) (resi   35  and name HD#  ) 5.0 7.7 6.5 ! L27    Y35  
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   67  and name HN   ) 5.0 5.7 4.5 ! L27   
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 1.2 
assign (resi   28  and name HN   ) (resi   28  and name HG#  ) 4.0 3.2 2.0 ! 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   30  and name HN   ) 4.0 2.2 1.0 
assign (resi   28  and name HN   ) (resi   34  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 HA   ) (resi   28  and name HB1  ) 2.7 0.9 0.2 
assign (resi   28  and name HA   ) (resi   29  and name HN   ) 2.7 0.9 1.2 
assign (resi   28  and name HA   ) (resi   30  and name HN   ) 2.7 0.9 1.2 
assign (resi   28  and name HA   ) (resi   33  and name HN   ) 3.0 1.2 0.5 
assign (resi   28  and name HA   ) (resi   34  and name HB   ) 4.0 2.2 1.0 
assign (resi   28  and name HA   ) (resi   35  and name HD#  ) 5.0 5.2 4.0 ! Y35   
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   34  and name HA   ) 4.0 2.2 1.0 
assign (resi   28  and name HB1  ) (resi   29  and name HN   ) 3.0 1.2 0.5 
assign (resi   28  and name HB1  ) (resi   29  and name HA   ) 4.0 2.2 1.0 
assign (resi   28  and name HB1  ) (resi   34  and name HA   ) 4.0 2.2 1.0 
assign (resi   28  and name HG#  ) (resi   29  and name HN   ) 5.0 4.2 3.0 ! E28   
assign (resi   28  and name HG#  ) (resi   34  and name HA   ) 4.0 3.2 2.0 ! E28   
assign (resi   28  and name HG#  ) (resi   34  and name HB   ) 5.0 4.2 3.0 ! E28   
assign (resi   28  and name HG#  ) (resi   35  and name HD#  ) 5.0 6.2 5.0 ! E28    Y35  
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 HG#  ) 5.0 4.2 3.0 ! K30   
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 HA   ) (resi   32  and name HN   ) 3.0 1.2 0.5 
assign (resi   29  and name HA   ) (resi   32  and name HA   ) 2.7 0.9 0.2 
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   30  and name HG#  ) 5.0 5.2 4.0 ! E29    K30  
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 HA   ) 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 HN   ) 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   31  and name HG2# ) 5.0 4.7 3.5 ! T31   
assign (resi   30  and name HA   ) (resi   32  and name HN   ) 4.0 2.2 1.0 
assign (resi   30  and name HB2  ) (resi   31  and name HN   ) 2.7 0.9 0.2 
assign (resi   30  and name HB2  ) (resi   31  and name HA   ) 4.0 2.2 1.0 
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 HA   ) 4.0 2.2 1.0 
assign (resi   30  and name HB1  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
assign (resi   30  and name HG#  ) (resi   31  and name HN   ) 5.0 4.2 3.0 ! K30   
assign (resi   30  and name HD#  ) (resi   85  and name HE#  ) 5.0 7.2 6.0 ! 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 HG2# ) 3.0 2.7 2.0 ! T31   
assign (resi   31  and name HA   ) (resi   32  and name HN   ) 2.7 0.9 0.2 
assign (resi   31  and name HA   ) (resi   32  and name HB2  ) 4.0 2.2 1.0 
assign (resi   31  and name HA   ) (resi   32  and name HB1  ) 4.0 2.2 1.0 
assign (resi   31  and name HA   ) (resi   33  and name HG#  ) 5.0 4.2 3.0 ! E33   
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 HB   ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
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   
assign (resi   31  and name HG2# ) (resi   85  and name HD#  ) 5.0 6.7 5.5 ! T31    Y85  
assign (resi   31  and name HG2# ) (resi   85  and name HE#  ) 5.0 7.7 6.5 ! T31    Y85  

! 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  ) 3.0 1.2 0.5 
assign (resi   32  and name HN   ) (resi   33  and name HN   ) 2.7 0.9 0.2 
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 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 HA   ) (resi   34  and name HB   ) 3.0 1.2 0.5 
assign (resi   33  and name HA   ) (resi   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
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   34  and name HA   ) 5.0 4.2 3.0 ! E33   
assign (resi   33  and name HG#  ) (resi   34  and name HN   ) 5.0 4.2 3.0 ! E33   
assign (resi   33  and name HG#  ) (resi   35  and name HD#  ) 5.0 6.2 5.0 ! E33    Y35  
assign (resi   33  and name HG#  ) (resi   59  and name HB#  ) 5.0 5.7 4.5 ! E33    A59  

! 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   35  and name HA   ) 4.0 2.2 1.0 
assign (resi   34  and name HA   ) (resi   34  and name HB   ) 2.7 0.9 0.2 
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   88  and name HN   ) 5.0 4.7 3.5 ! T34   

! residue Y35 
assign (resi   35  and name HN   ) (resi   65  and name HB2  ) 5.0 3.2 2.0 
assign (resi   35  and name HA   ) (resi   35  and name HB2  ) 2.7 0.9 0.2 
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   ) 2.7 0.9 0.2 
assign (resi   35  and name HA   ) (resi   37  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 HB2  ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
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   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   57  and name HB   ) 4.0 4.2 3.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   57  and name HG*  ) 5.0 7.7 6.5 ! Y35    V57  
assign (resi   35  and name HD#  ) (resi   65  and name HB2  ) 4.0 4.2 3.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   65  and name HB1  ) 5.0 5.2 4.0 ! Y35   
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 HD#  ) (resi   85  and name HB1  ) 4.0 4.2 3.0 ! Y35   
assign (resi   35  and name HD#  ) (resi   87  and name HG*  ) 5.0 7.7 6.5 ! Y35    V87  
assign (resi   35  and name HE#  ) (resi   38  and name HB1  ) 4.0 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   57  and name HG*  ) 5.0 8.7 7.5 ! Y35    V57  
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   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   38  and name HB2  ) 4.0 2.2 1.0 
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 1.2 
assign (resi   36  and name HA1  ) (resi   37  and name HN   ) 3.0 1.2 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 HG#  ) 5.0 4.2 3.0 ! 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 HE#  ) 5.0 4.2 3.0 ! 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 HG#  ) (resi   38  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 1.2 
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 HD*  ) 5.0 5.7 4.5 ! L38   
assign (resi   38  and name HN   ) (resi   57  and name HB   ) 5.0 3.2 2.0 
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   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   38  and name HA   ) (resi   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
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   58  and name HB1  ) 4.0 2.2 1.0 
assign (resi   38  and name HB1  ) (resi   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
assign (resi   38  and name HB1  ) (resi   58  and name HB1  ) 5.0 3.2 2.0 
assign (resi   38  and name HD*  ) (resi   39  and name HN   ) 5.0 5.7 4.5 ! 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   

! 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  ) 2.7 0.9 1.2 
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   ) 3.0 1.2 0.5 
assign (resi   39  and name HN   ) (resi   58  and name HB1  ) 4.0 2.2 1.0 
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   40  and name HA   ) 4.0 2.2 1.0 
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 HG#  ) (resi   40  and name HN   ) 5.0 4.2 3.0 ! E39   
assign (resi   39  and name HG#  ) (resi   40  and name HA   ) 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 HG1# ) 5.0 4.7 3.5 ! V57   
assign (resi   40  and name HN   ) (resi   57  and name HG2# ) 5.0 4.7 3.5 ! V57   
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   42  and name HN   ) 3.0 1.2 0.5 
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 HG1# ) 4.0 3.7 2.5 ! V57   
assign (resi   40  and name HA   ) (resi   57  and name HG2# ) 4.0 3.7 2.5 ! V57   
assign (resi   40  and name HA   ) (resi   57  and name HG*  ) 4.0 4.7 3.5 ! 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   41  and name HA   ) 5.0 4.7 3.5 ! A40   
assign (resi   40  and name HB#  ) (resi   42  and name HA   ) 4.0 3.7 2.5 ! A40   
assign (resi   40  and name HB#  ) (resi   43  and name HB1  ) 5.0 4.7 3.5 ! A40   
assign (resi   40  and name HB#  ) (resi   56  and name HN   ) 5.0 4.7 3.5 ! A40   
assign (resi   40  and name HB#  ) (resi   57  and name HN   ) 5.0 4.7 3.5 ! A40   
assign (resi   40  and name HB#  ) (resi   57  and name HA   ) 4.0 3.7 2.5 ! A40   
assign (resi   40  and name HB#  ) (resi   57  and name HB   ) 5.0 4.7 3.5 ! A40   

! 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   41  and name HG1# ) 4.0 3.7 2.5 ! V41   
assign (resi   41  and name HN   ) (resi   41  and name HG2# ) 4.0 3.7 2.5 ! V41   
assign (resi   41  and name HN   ) (resi   42  and name HN   ) 2.7 0.9 0.2 
assign (resi   41  and name HN   ) (resi   57  and name HA   ) 2.7 0.9 0.2 
assign (resi   41  and name HA   ) (resi   41  and name HG1# ) 3.0 2.7 2.0 ! V41   
assign (resi   41  and name HA   ) (resi   41  and name HG2# ) 3.0 2.7 2.0 ! V41   
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 HN   ) 2.7 0.9 0.2 
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 HB2  ) 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   57  and name HA   ) 5.0 3.2 2.0 
assign (resi   41  and name HB   ) (resi   58  and name HN   ) 4.0 2.2 1.0 
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 HG1# ) (resi   42  and name HN   ) 4.0 3.7 2.5 ! V41   
assign (resi   41  and name HG2# ) (resi   42  and name HN   ) 4.0 3.7 2.5 ! 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   64  and name HD#  ) 5.0 7.7 6.5 ! V41    Y64  
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 HB1  ) 3.0 1.2 0.5 
assign (resi   42  and name HN   ) (resi   42  and name HG#  ) 5.0 4.2 3.0 ! 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   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   42  and name HN   ) (resi   55  and name HG2# ) 5.0 4.7 3.5 ! I55   
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 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   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
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#  ) 5.0 5.2 4.0 ! Y43   
assign (resi   42  and name HB2  ) (resi   42  and name HE21 ) 5.0 3.2 2.0 
assign (resi   42  and name HB2  ) (resi   42  and name HE22 ) 5.0 3.2 2.0 
assign (resi   42  and name HB2  ) (resi   42  and name HE#  ) 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 HB1  ) 4.0 2.2 1.0 
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   42  and name HE#  ) 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 HB1  ) (resi   56  and name HB1  ) 5.0 3.2 2.0 
assign (resi   42  and name HG#  ) (resi   43  and name HN   ) 5.0 4.2 3.0 ! 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   44  and name HG#  ) 5.0 4.2 3.0 ! K44   
assign (resi   43  and name HN   ) (resi   55  and name HD#  ) 5.0 3.2 2.0 
assign (resi   43  and name HA   ) (resi   43  and name HB2  ) 2.7 0.9 0.2 
assign (resi   43  and name HA   ) (resi   43  and name HB1  ) 2.7 0.9 0.2 
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   45  and name HG2# ) 5.0 4.7 3.5 ! T45   
assign (resi   43  and name HA   ) (resi   55  and name HA   ) 2.7 0.9 0.2 
assign (resi   43  and name HA   ) (resi   55  and name HG2# ) 4.0 3.7 2.5 ! I55   
assign (resi   43  and name HA   ) (resi   55  and name HD#  ) 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   55  and name HG2# ) 4.0 3.7 2.5 ! I55   
assign (resi   43  and name HB1  ) (resi   55  and name HD#  ) 5.0 3.2 2.0 
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   44  and name HG#  ) 5.0 6.2 5.0 ! Y43    K44  
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 HE#  ) (resi   45  and name HG2# ) 5.0 7.7 6.5 ! Y43    T45  

! 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 HG#  ) 5.0 4.2 3.0 ! 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   54  and name HN   ) 3.0 1.2 0.5 
assign (resi   44  and name HN   ) (resi   54  and name HB1  ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   55  and name HG2# ) 5.0 4.7 3.5 ! I55   
assign (resi   44  and name HN   ) (resi   55  and name HD#  ) 4.0 2.2 1.0 
assign (resi   44  and name HN   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
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   45  and name HN   ) 3.0 1.2 0.5 
assign (resi   44  and name HB2  ) (resi   54  and name HN   ) 5.0 3.2 2.0 
assign (resi   44  and name HB2  ) (resi   54  and name HB2  ) 4.0 2.2 1.0 
assign (resi   44  and name HB2  ) (resi   54  and name HB1  ) 4.0 2.2 1.0 
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 HB2  ) 5.0 3.2 2.0 
assign (resi   44  and name HB1  ) (resi   54  and name HB1  ) 5.0 3.2 2.0 
assign (resi   44  and name HG#  ) (resi   45  and name HN   ) 5.0 4.2 3.0 ! K44   
assign (resi   44  and name HG#  ) (resi   54  and name HB2  ) 5.0 4.2 3.0 ! K44   
assign (resi   44  and name HG#  ) (resi   54  and name HB1  ) 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 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   46  and name HA   ) 4.0 2.2 1.0 
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 HN   ) 4.0 2.2 1.0 
assign (resi   45  and name HA   ) (resi   53  and name HA   ) 2.7 0.9 0.2 
assign (resi   45  and name HA   ) (resi   54  and name HN   ) 3.0 1.2 0.5 
assign (resi   45  and name HB   ) (resi   46  and name HN   ) 2.7 0.9 0.2 
assign (resi   45  and name HB   ) (resi   46  and name HA   ) 4.0 2.2 1.0 
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   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   53  and name HA   ) 4.0 2.2 1.0 
assign (resi   46  and name HN   ) (resi   54  and name HD#  ) 5.0 5.2 4.0 ! Y54   
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 HB2  ) 2.7 0.9 0.2 
assign (resi   46  and name HA   ) (resi   46  and name HB1  ) 2.7 0.9 0.2 
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 HA   ) 4.0 2.2 1.0 
assign (resi   46  and name HA   ) (resi   47  and name HG*  ) 5.0 5.7 4.5 ! V47   
assign (resi   46  and name HA   ) (resi   52  and name HB2  ) 5.0 3.2 2.0 
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 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   47  and name HA   ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   48  and name HG*  ) 5.0 5.7 4.5 ! V48   
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 ) 5.0 3.2 2.0 
assign (resi   46  and name HB1  ) (resi   52  and name HD22 ) 5.0 3.2 2.0 
assign (resi   46  and name HB1  ) (resi   52  and name HD#  ) 4.0 2.2 1.0 
assign (resi   46  and name HB1  ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! 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 HG*  ) 4.0 4.7 3.5 ! V47   
assign (resi   47  and name HN   ) (resi   48  and name HN   ) 4.0 2.2 1.0 
assign (resi   47  and name HA   ) (resi   48  and name HN   ) 2.7 0.9 0.2 
assign (resi   47  and name HA   ) (resi   50  and name HN   ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resi   47  and name HB   ) (resi   48  and name HN   ) 4.0 2.2 1.0 
assign (resi   47  and name HG1# ) (resi   48  and name HN   ) 4.0 3.7 2.5 ! V47   
assign (resi   47  and name HG2# ) (resi   48  and name HN   ) 4.0 3.7 2.5 ! 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   ) 4.0 2.2 1.0 
assign (resi   48  and name HN   ) (resi   50  and name HN   ) 3.0 1.2 0.5 
assign (resi   48  and name HN   ) (resi   51  and name HA   ) 3.0 1.2 0.5 
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 HA   ) (resi   49  and name HB#  ) 5.0 4.7 3.5 ! A49   
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 HG1# ) (resi   49  and name HN   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG1# ) (resi   50  and name HN   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG1# ) (resi   50  and name HA2  ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG1# ) (resi   50  and name HA1  ) 5.0 4.7 3.5 ! 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   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   50  and name HN   ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   50  and name HA2  ) 5.0 4.7 3.5 ! V48   
assign (resi   48  and name HG2# ) (resi   50  and name HA1  ) 5.0 4.7 3.5 ! 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   ) 4.0 4.7 3.5 ! 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 HA   ) 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 HD#  ) 5.0 7.7 6.5 ! V48    F70  

! residue A49 
assign (resi   49  and name HN   ) (resi   50  and name HN   ) 4.0 2.2 1.0 
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 HB#  ) 5.0 4.2 3.0 ! L73   
assign (resi   49  and name HA   ) (resi   73  and name HD*  ) 5.0 5.7 4.5 ! L73   
assign (resi   49  and name HB#  ) (resi   51  and name HG2# ) 5.0 6.2 5.0 ! A49    T51  

! 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   70  and name HZ   ) 5.0 3.2 2.0 
assign (resi   50  and name HN   ) (resi   73  and name HB#  ) 5.0 4.2 3.0 ! 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   71  and name HD2  ) 5.0 3.2 2.0 
assign (resi   50  and name HA2  ) (resi   71  and name HD1  ) 5.0 3.2 2.0 
assign (resi   50  and name HA2  ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assign (resi   50  and name HA2  ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assign (resi   50  and name HA2  ) (resi   73  and name HB#  ) 4.0 3.2 2.0 ! L73   
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   71  and name HD2  ) 5.0 3.2 2.0 
assign (resi   50  and name HA1  ) (resi   71  and name HD1  ) 5.0 3.2 2.0 
assign (resi   50  and name HA1  ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assign (resi   50  and name HA1  ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assign (resi   50  and name HA1  ) (resi   73  and name HB#  ) 4.0 3.2 2.0 ! L73   
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 HD#  ) 5.0 6.2 5.0 ! G50    F70  
assign (resi   50  and name HA#  ) (resi   70  and name HE#  ) 5.0 7.2 6.0 ! G50    F70  
assign (resi   50  and name HA#  ) (resi   71  and name HD#  ) 5.0 5.2 4.0 ! G50    K71  
assign (resi   50  and name HA#  ) (resi   72  and name HB#  ) 5.0 5.2 4.0 ! G50    S72  
assign (resi   50  and name HA#  ) (resi   73  and name HN   ) 4.0 3.2 2.0 ! G50   
assign (resi   50  and name HA#  ) (resi   73  and name HA   ) 4.0 3.2 2.0 ! G50   
assign (resi   50  and name HA#  ) (resi   73  and name HB#  ) 4.0 4.2 3.0 ! G50    L73  
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 HD#  ) 5.0 5.2 4.0 ! F70   
assign (resi   51  and name HN   ) (resi   70  and name HE#  ) 5.0 6.2 5.0 ! F70   
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 HB#  ) 5.0 4.2 3.0 ! S72   
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  ) 3.0 1.2 0.5 
assign (resi   51  and name HB   ) (resi   73  and name HB#  ) 5.0 4.2 3.0 ! L73   
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 HA   ) 5.0 4.7 3.5 ! T51   
assign (resi   51  and name HG2# ) (resi   53  and name HD#  ) 5.0 6.7 5.5 ! T51    Y53  
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   70  and name HA   ) 3.0 2.7 2.0 ! T51   
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 HD#  ) 5.0 3.2 2.0 
assign (resi   52  and name HN   ) (resi   70  and name HA   ) 4.0 2.2 1.0 
assign (resi   52  and name HN   ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assign (resi   52  and name HA   ) (resi   53  and name HN   ) 2.7 0.9 0.2 
assign (resi   52  and name HA   ) (resi   53  and name HB2  ) 4.0 2.2 1.0 
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   ) 2.7 0.9 0.2 
assign (resi   52  and name HA   ) (resi   71  and name HN   ) 4.0 2.2 1.0 
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#  ) 4.0 2.2 1.0 
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   ) 3.0 1.2 0.5 
assign (resi   52  and name HB1  ) (resi   53  and name HA   ) 4.0 2.2 1.0 
assign (resi   52  and name HB1  ) (resi   53  and name HD#  ) 5.0 5.2 4.0 ! Y53   
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   70  and name HA   ) 5.0 3.2 2.0 
assign (resi   52  and name HD#  ) (resi   54  and name HE#  ) 5.0 6.2 5.0 ! Y54   
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   69  and name HN   ) 3.0 1.2 0.5 
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 HA   ) 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   55  and name HG1# ) 5.0 4.2 3.0 ! I55   
assign (resi   53  and name HB2  ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assign (resi   53  and name HB2  ) (resi   55  and name HD#  ) 5.0 3.2 2.0 
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   ) 3.0 1.2 0.5 
assign (resi   53  and name HB1  ) (resi   55  and name HD#  ) 4.0 2.2 1.0 
assign (resi   53  and name HB1  ) (resi   69  and name HN   ) 5.0 3.2 2.0 
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   71  and name HN   ) 5.0 5.2 4.0 ! Y53   
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 HD2  ) 5.0 6.2 5.0 ! Y53   
assign (resi   53  and name HE#  ) (resi   71  and name HD1  ) 5.0 6.2 5.0 ! Y53   

! residue Y54 
assign (resi   54  and name HN   ) (resi   54  and name HB2  ) 2.7 0.9 0.2 
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 HG2# ) 5.0 4.7 3.5 ! I55   
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   55  and name HD#  ) 5.0 3.2 2.0 
assign (resi   54  and name HA   ) (resi   54  and name HB1  ) 2.7 0.9 0.2 
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 HB   ) 4.0 2.2 1.0 
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   55  and name HD#  ) 5.0 3.2 2.0 
assign (resi   54  and name HA   ) (resi   68  and name HA   ) 2.7 0.9 0.2 
assign (resi   54  and name HA   ) (resi   68  and name HB2  ) 4.0 2.2 1.0 
assign (resi   54  and name HA   ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   54  and name HB2  ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   54  and name HB1  ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assign (resi   54  and name HB1  ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
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 HB#  ) 5.0 7.2 6.0 ! Y54    F98  
assign (resi   54  and name HE#  ) (resi   98  and name HD#  ) 5.0 8.2 7.0 ! Y54    F98  
assign (resi   54  and name HE#  ) (resi   98  and name HE#  ) 5.0 9.2 8.0 ! 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 HG2# ) 4.0 3.7 2.5 ! I55   
assign (resi   55  and name HN   ) (resi   55  and name HG1# ) 5.0 4.2 3.0 ! 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   ) 3.0 1.2 0.5 
assign (resi   55  and name HN   ) (resi   67  and name HB1  ) 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   55  and name HD#  ) 4.0 2.2 1.0 
assign (resi   55  and name HA   ) (resi   56  and name HN   ) 2.7 0.9 0.2 
assign (resi   55  and name HA   ) (resi   56  and name HA   ) 4.0 2.2 1.0 
assign (resi   55  and name HA   ) (resi   56  and name HB1  ) 4.0 2.2 1.0 
assign (resi   55  and name HB   ) (resi   56  and name HN   ) 4.0 2.2 1.0 
assign (resi   55  and name HB   ) (resi   57  and name HN   ) 3.0 1.2 0.5 
assign (resi   55  and name HB   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   55  and name HB   ) (resi   67  and name HG   ) 4.0 2.2 1.0 
assign (resi   55  and name HB   ) (resi   67  and name HD*  ) 5.0 5.7 4.5 ! L67   
assign (resi   55  and name HG2# ) (resi   56  and name HN   ) 4.0 3.7 2.5 ! I55   
assign (resi   55  and name HG2# ) (resi   56  and name HA   ) 5.0 4.7 3.5 ! I55   
assign (resi   55  and name HD#  ) (resi   56  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   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   57  and name HG*  ) 5.0 5.7 4.5 ! V57   
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   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   66  and name HA   ) 5.0 3.2 2.0 
assign (resi   56  and name HB2  ) (resi   95  and name HD1# ) 5.0 4.7 3.5 ! L95   
assign (resi   56  and name HB2  ) (resi   95  and name HD2# ) 5.0 4.7 3.5 ! L95   
assign (resi   56  and name HB1  ) (resi   56  and name HE#  ) 5.0 4.2 3.0 ! K56   
assign (resi   56  and name HB1  ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
assign (resi   56  and name HG2  ) (resi   57  and name HN   ) 4.0 2.2 1.0 
assign (resi   56  and name HG1  ) (resi   57  and name HN   ) 4.0 2.2 1.0 
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   66  and name HB2  ) 5.0 4.2 3.0 ! K56   
assign (resi   56  and name HE#  ) (resi   94  and name HA   ) 5.0 4.2 3.0 ! K56   

! 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   ) 3.0 1.2 0.5 
assign (resi   57  and name HN   ) (resi   65  and name HB1  ) 5.0 3.2 2.0 
assign (resi   57  and name HN   ) (resi   66  and name HA   ) 4.0 2.2 1.0 
assign (resi   57  and name HA   ) (resi   57  and name HB   ) 2.7 0.9 0.2 
assign (resi   57  and name HA   ) (resi   57  and name HG1# ) 3.0 2.7 2.0 ! V57   
assign (resi   57  and name HA   ) (resi   57  and name HG2# ) 3.0 2.7 2.0 ! V57   
assign (resi   57  and name HA   ) (resi   57  and name HG*  ) 2.7 3.4 2.7 ! V57   
assign (resi   57  and name HA   ) (resi   58  and name HN   ) 2.7 0.9 0.2 
assign (resi   57  and name HA   ) (resi   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
assign (resi   57  and name HB   ) (resi   58  and name HN   ) 4.0 2.2 1.0 
assign (resi   57  and name HG1# ) (resi   58  and name HN   ) 5.0 4.7 3.5 ! V57   
assign (resi   57  and name HG2# ) (resi   58  and name HN   ) 5.0 4.7 3.5 ! V57   
assign (resi   57  and name HG*  ) (resi   58  and name HN   ) 4.0 4.7 3.5 ! 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#  ) 5.0 4.2 3.0 ! 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 HB2  ) 2.7 0.9 0.2 
assign (resi   58  and name HA   ) (resi   58  and name HG#  ) 4.0 3.2 2.0 ! 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   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
assign (resi   58  and name HA   ) (resi   60  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   64  and name HA   ) 2.7 0.9 0.2 
assign (resi   58  and name HA   ) (resi   64  and name HB1  ) 5.0 3.2 2.0 
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   ) 4.0 2.2 1.0 
assign (resi   58  and name HA   ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
assign (resi   58  and name HB2  ) (resi   59  and name HN   ) 3.0 1.2 0.5 
assign (resi   58  and name HB2  ) (resi   64  and name HB2  ) 4.0 2.2 1.0 
assign (resi   58  and name HB2  ) (resi   64  and name HB1  ) 4.0 2.2 1.0 
assign (resi   58  and name HB1  ) (resi   59  and name HN   ) 4.0 2.2 1.0 
assign (resi   58  and name HB1  ) (resi   64  and name HA   ) 5.0 3.2 2.0 
assign (resi   58  and name HB1  ) (resi   64  and name HD#  ) 4.0 4.2 3.0 ! 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   60  and name HN   ) 4.0 3.2 2.0 ! R58   
assign (resi   58  and name HG#  ) (resi   63  and name HN   ) 5.0 4.2 3.0 ! R58   
assign (resi   58  and name HD#  ) (resi   59  and name HB#  ) 5.0 5.7 4.5 ! R58    A59  
assign (resi   58  and name HD#  ) (resi   61  and name HA   ) 5.0 4.2 3.0 ! R58   

! 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   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   ) 3.0 1.2 0.5 
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 HN   ) 4.0 2.2 1.0 
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 HA   ) (resi   60  and name HA#  ) 5.0 4.2 3.0 ! G60   
assign (resi   59  and name HA   ) (resi   63  and name HD#  ) 5.0 4.2 3.0 ! K63   
assign (resi   59  and name HA   ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
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   60  and name HA2  ) 5.0 4.7 3.5 ! A59   
assign (resi   59  and name HB#  ) (resi   60  and name HA1  ) 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 HB#  ) 5.0 5.7 4.5 ! A59    K63  
assign (resi   59  and name HB#  ) (resi   63  and name HD#  ) 5.0 5.7 4.5 ! A59    K63  
assign (resi   59  and name HB#  ) (resi   63  and name HE#  ) 5.0 5.7 4.5 ! A59    K63  
assign (resi   59  and name HB#  ) (resi   64  and name HA   ) 5.0 4.7 3.5 ! A59   
assign (resi   59  and name HB#  ) (resi   88  and name HA   ) 4.0 3.7 2.5 ! 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   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 HN   ) (resi   65  and name HD*  ) 5.0 5.7 4.5 ! L65   
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 HB#  ) 4.0 3.2 2.0 ! K63   
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 HB#  ) 4.0 3.2 2.0 ! K63   
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   ) 5.0 4.2 3.0 ! 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 HN   ) (resi   63  and name HB#  ) 5.0 4.2 3.0 ! K63   
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 HB#  ) 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   ) 2.7 0.9 0.2 
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 
assign (resi   62  and name HB1  ) (resi   63  and name HN   ) 4.0 2.2 1.0 

! residue K63 
assign (resi   63  and name HN   ) (resi   63  and name HB#  ) 4.0 3.2 2.0 ! K63   
assign (resi   63  and name HN   ) (resi   63  and name HG#  ) 5.0 4.2 3.0 ! K63   
assign (resi   63  and name HN   ) (resi   63  and name HD#  ) 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 HD2  ) 4.0 2.2 1.0 
assign (resi   63  and name HA   ) (resi   63  and name HD1  ) 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#  ) 5.0 5.2 4.0 ! Y64   
assign (resi   63  and name HB#  ) (resi   63  and name HE#  ) 5.0 5.2 4.0 ! K63    K63  
assign (resi   63  and name HB#  ) (resi   64  and name HN   ) 4.0 3.2 2.0 ! K63   
assign (resi   63  and name HB#  ) (resi   64  and name HA   ) 5.0 4.2 3.0 ! K63   
assign (resi   63  and name HB#  ) (resi   88  and name HN   ) 5.0 4.2 3.0 ! K63   
assign (resi   63  and name HG#  ) (resi   64  and name HN   ) 5.0 4.2 3.0 ! K63   
assign (resi   63  and name HG#  ) (resi   64  and name HD#  ) 5.0 6.2 5.0 ! K63    Y64  
assign (resi   63  and name HG#  ) (resi   64  and name HE#  ) 5.0 7.2 6.0 ! K63    Y64  
assign (resi   63  and name HD#  ) (resi   64  and name HE#  ) 5.0 7.2 6.0 ! K63    Y64  

! 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   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   89  and name HB1  ) 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 HB1  ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resi   64  and name HB2  ) (resi   89  and name HB2  ) 4.0 2.2 1.0 
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   ) 3.0 1.2 0.5 
assign (resi   64  and name HB1  ) (resi   89  and name HB2  ) 4.0 2.2 1.0 
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   

! residue L65 
assign (resi   65  and name HN   ) (resi   65  and name HB2  ) 3.0 1.2 0.5 
assign (resi   65  and name HN   ) (resi   65  and name HB1  ) 2.7 0.9 1.2 
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 HB2  ) 2.7 0.9 0.2 
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   ) 2.7 0.9 0.2 
assign (resi   65  and name HA   ) (resi   65  and name HD1# ) 4.0 3.7 2.5 ! L65   
assign (resi   65  and name HA   ) (resi   65  and name HD2# ) 4.0 3.7 2.5 ! L65   
assign (resi   65  and name HA   ) (resi   65  and name HD*  ) 3.0 3.7 3.0 ! 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   66  and name HA   ) 4.0 2.2 1.0 
assign (resi   65  and name HA   ) (resi   87  and name HA   ) 2.7 0.9 0.2 
assign (resi   65  and name HA   ) (resi   87  and name HB   ) 5.0 3.2 2.0 
assign (resi   65  and name HA   ) (resi   87  and name HG1# ) 5.0 4.7 3.5 ! V87   
assign (resi   65  and name HA   ) (resi   87  and name HG2# ) 5.0 4.7 3.5 ! V87   
assign (resi   65  and name HA   ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
assign (resi   65  and name HA   ) (resi   88  and name HN   ) 4.0 2.2 1.0 
assign (resi   65  and name HB2  ) (resi   66  and name HN   ) 2.7 0.9 1.2 
assign (resi   65  and name HB2  ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assign (resi   65  and name HB1  ) (resi   66  and name HN   ) 3.0 1.2 0.5 
assign (resi   65  and name HB1  ) (resi   87  and name HA   ) 5.0 3.2 2.0 
assign (resi   65  and name HG   ) (resi   87  and name HA   ) 3.0 1.2 0.5 
assign (resi   65  and name HG   ) (resi   87  and name HB   ) 5.0 3.2 2.0 
assign (resi   65  and name HG   ) (resi   88  and name HA   ) 4.0 2.2 1.0 
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 HA   ) 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  ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   67  and name HD1# ) 5.0 4.7 3.5 ! L67   
assign (resi   66  and name HN   ) (resi   67  and name HD2# ) 5.0 4.7 3.5 ! L67   
assign (resi   66  and name HN   ) (resi   67  and name HD*  ) 5.0 5.7 4.5 ! L67   
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   87  and name HA   ) 4.0 2.2 1.0 
assign (resi   66  and name HN   ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
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 HA   ) (resi   95  and name HD*  ) 5.0 5.7 4.5 ! L95   
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#  ) 5.0 6.2 5.0 ! F98   
assign (resi   66  and name HD2  ) (resi   93  and name HA   ) 2.7 0.9 0.2 

! residue L67 
assign (resi   67  and name HN   ) (resi   67  and name HB2  ) 3.0 1.2 0.5 
assign (resi   67  and name HN   ) (resi   67  and name HB1  ) 2.7 0.9 0.2 
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   82  and name HG   ) 5.0 3.2 2.0 
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   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   67  and name HA   ) (resi   85  and name HA   ) 2.7 0.9 0.2 
assign (resi   67  and name HA   ) (resi   85  and name HB2  ) 3.0 1.2 0.5 
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   ) 3.0 1.2 0.5 
assign (resi   67  and name HB2  ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   67  and name HB1  ) (resi   68  and name HN   ) 3.0 1.2 0.5 
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   85  and name HA   ) 5.0 3.2 2.0 

! residue K68 
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   69  and name HN   ) 4.0 2.2 1.0 
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   84  and name HN   ) 3.0 1.2 0.5 
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 HB1  ) 5.0 3.2 2.0 
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 HA   ) (resi   69  and name HG*  ) 5.0 5.7 4.5 ! V69   
assign (resi   68  and name HB2  ) (resi   83  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HB2  ) (resi   84  and name HA#  ) 5.0 4.2 3.0 ! G84   
assign (resi   68  and name HB2  ) (resi   85  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HB2  ) (resi   85  and name HA   ) 2.7 0.9 0.2 
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 HB2  ) (resi   98  and name HD#  ) 4.0 4.2 3.0 ! F98   
assign (resi   68  and name HB1  ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assign (resi   68  and name HB1  ) (resi   70  and name HB1  ) 4.0 2.2 1.0 
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#  ) 4.0 3.2 2.0 ! G84   
assign (resi   68  and name HD2  ) (resi   98  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HD1  ) (resi   98  and name HN   ) 5.0 3.2 2.0 
assign (resi   68  and name HD#  ) (resi   83  and name HB   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HD#  ) (resi   84  and name HA#  ) 5.0 5.2 4.0 ! K68    G84  
assign (resi   68  and name HD#  ) (resi   85  and name HA   ) 5.0 4.2 3.0 ! K68   
assign (resi   68  and name HD#  ) (resi   98  and name HD#  ) 5.0 6.2 5.0 ! 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   70  and name HN   ) 4.0 2.2 1.0 
assign (resi   69  and name HN   ) (resi   82  and name HB2  ) 5.0 3.2 2.0 
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 HB2  ) 4.0 2.2 1.0 
assign (resi   69  and name HA   ) (resi   82  and name HB2  ) 4.0 2.2 1.0 
assign (resi   69  and name HB   ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assign (resi   69  and name HG1# ) (resi   70  and name HN   ) 4.0 3.7 2.5 ! V69   
assign (resi   69  and name HG1# ) (resi   81  and name HN   ) 5.0 4.7 3.5 ! V69   
assign (resi   69  and name HG2# ) (resi   70  and name HN   ) 4.0 3.7 2.5 ! V69   
assign (resi   69  and name HG2# ) (resi   81  and name HN   ) 5.0 4.7 3.5 ! V69   
assign (resi   69  and name HG*  ) (resi   70  and name HN   ) 4.0 4.7 3.5 ! V69   
assign (resi   69  and name HG*  ) (resi   70  and name HA   ) 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   81  and name HN   ) 4.0 4.7 3.5 ! V69   
assign (resi   69  and name HG*  ) (resi   82  and name HN   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   82  and name HA   ) 5.0 5.7 4.5 ! V69   
assign (resi   69  and name HG*  ) (resi   84  and name HN   ) 5.0 5.7 4.5 ! V69   

! 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   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 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   82  and name HA   ) 2.7 0.9 0.2 
assign (resi   70  and name HN   ) (resi   82  and name HB2  ) 4.0 2.2 1.0 
assign (resi   70  and name HN   ) (resi   82  and name HD*  ) 5.0 5.7 4.5 ! L82   
assign (resi   70  and name HN   ) (resi   83  and name HN   ) 4.0 2.2 1.0 
assign (resi   70  and name HA   ) (resi   70  and name HB1  ) 2.7 0.9 0.2 
assign (resi   70  and name HA   ) (resi   71  and name HN   ) 2.7 0.9 0.2 
assign (resi   70  and name HA   ) (resi   82  and name HA   ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
assign (resi   70  and name HB2  ) (resi   81  and name HB   ) 4.0 2.2 1.0 
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   82  and name HA   ) 5.0 3.2 2.0 
assign (resi   70  and name HB1  ) (resi   82  and name HB2  ) 4.0 2.2 1.0 
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 HB2  ) 4.0 4.2 3.0 ! F70   
assign (resi   70  and name HD#  ) (resi   72  and name HB1  ) 4.0 4.2 3.0 ! 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   ) 5.0 5.2 4.0 ! 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 HB2  ) 4.0 5.2 4.0 ! F70   
assign (resi   70  and name HE#  ) (resi   72  and name HB1  ) 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 HN   ) 4.0 2.2 1.0 
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   72  and name HN   ) 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   72  and name HN   ) 2.7 0.9 0.2 
assign (resi   71  and name HA   ) (resi   72  and name HB#  ) 4.0 3.2 2.0 ! S72   
assign (resi   71  and name HA   ) (resi   81  and name HB   ) 4.0 2.2 1.0 
assign (resi   71  and name HB2  ) (resi   71  and name HE#  ) 5.0 4.2 3.0 ! K71   
assign (resi   71  and name HB2  ) (resi   72  and name HN   ) 3.0 1.2 1.5 
assign (resi   71  and name HB2  ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   71  and name HB1  ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assign (resi   71  and name HB1  ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! L80   
assign (resi   71  and name HG#  ) (resi   72  and name HN   ) 5.0 4.2 3.0 ! K71   
assign (resi   71  and name HD2  ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assign (resi   71  and name HD2  ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assign (resi   71  and name HD1  ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assign (resi   71  and name HD1  ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assign (resi   71  and name HD#  ) (resi   72  and name HB#  ) 5.0 5.2 4.0 ! K71    S72  
assign (resi   71  and name HD#  ) (resi   79  and name HA   ) 5.0 4.2 3.0 ! K71   

! residue S72 
assign (resi   72  and name HN   ) (resi   72  and name HB2  ) 2.7 0.9 0.2 
assign (resi   72  and name HN   ) (resi   72  and name HB1  ) 2.7 0.9 0.2 
assign (resi   72  and name HN   ) (resi   72  and name HB#  ) 2.7 1.9 1.2 ! S72   
assign (resi   72  and name HN   ) (resi   73  and name HB#  ) 4.0 3.2 2.0 ! L73   
assign (resi   72  and name HN   ) (resi   79  and name HN   ) 2.7 0.9 0.2 
assign (resi   72  and name HN   ) (resi   79  and name HA   ) 2.7 0.9 0.2 
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 HB2  ) (resi   73  and name HN   ) 3.0 1.2 0.5 
assign (resi   72  and name HB2  ) (resi   74  and name HB2  ) 5.0 3.2 2.0 
assign (resi   72  and name HB2  ) (resi   74  and name HB1  ) 5.0 3.2 2.0 
assign (resi   72  and name HB2  ) (resi   74  and name HG#  ) 5.0 4.2 3.0 ! P74   
assign (resi   72  and name HB2  ) (resi   74  and name HD2  ) 5.0 3.2 2.0 
assign (resi   72  and name HB2  ) (resi   74  and name HD1  ) 5.0 3.2 2.0 
assign (resi   72  and name HB2  ) (resi   78  and name HG#  ) 5.0 4.2 3.0 ! E78   
assign (resi   72  and name HB1  ) (resi   73  and name HN   ) 3.0 1.2 0.5 
assign (resi   72  and name HB1  ) (resi   74  and name HB2  ) 5.0 3.2 2.0 
assign (resi   72  and name HB1  ) (resi   74  and name HB1  ) 5.0 3.2 2.0 
assign (resi   72  and name HB1  ) (resi   74  and name HG#  ) 5.0 4.2 3.0 ! P74   
assign (resi   72  and name HB1  ) (resi   74  and name HD2  ) 5.0 3.2 2.0 
assign (resi   72  and name HB1  ) (resi   74  and name HD1  ) 5.0 3.2 2.0 
assign (resi   72  and name HB1  ) (resi   78  and name HG#  ) 5.0 4.2 3.0 ! E78   
assign (resi   72  and name HB#  ) (resi   73  and name HN   ) 2.7 1.9 1.2 ! S72   
assign (resi   72  and name HB#  ) (resi   74  and name HB#  ) 5.0 5.2 4.0 ! S72    P74  
assign (resi   72  and name HB#  ) (resi   74  and name HG#  ) 5.0 5.2 4.0 ! S72    P74  
assign (resi   72  and name HB#  ) (resi   74  and name HD#  ) 4.0 4.2 3.0 ! S72    P74  
assign (resi   72  and name HB#  ) (resi   76  and name HN   ) 4.0 3.2 2.0 ! S72   

! residue L73 
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 HD*  ) 5.0 5.7 4.5 ! L73   
assign (resi   73  and name HN   ) (resi   74  and name HD2  ) 5.0 3.2 2.0 
assign (resi   73  and name HN   ) (resi   74  and name HD1  ) 5.0 3.2 2.0 
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 HN   ) 3.0 1.2 0.5 
assign (resi   73  and name HN   ) (resi   76  and name HA   ) 2.7 0.9 0.2 
assign (resi   73  and name HA   ) (resi   74  and name HD2  ) 2.7 0.9 1.2 
assign (resi   73  and name HA   ) (resi   74  and name HD1  ) 2.7 0.9 1.2 
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   76  and name HG#  ) 5.0 4.2 3.0 ! Q76   
assign (resi   73  and name HB#  ) (resi   74  and name HB2  ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   74  and name HB1  ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   74  and name HG#  ) 5.0 5.2 4.0 ! L73    P74  
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   76  and name HN   ) 5.0 4.2 3.0 ! L73   
assign (resi   73  and name HB#  ) (resi   76  and name HA   ) 5.0 4.2 3.0 ! L73   

! residue P74 
assign (resi   74  and name HD#  ) (resi   76  and name HN   ) 4.0 3.2 2.0 ! P74   

! residue G75 
assign (resi   75  and name HN   ) (resi   76  and name HN   ) 2.7 0.9 0.2 
assign (resi   75  and name HN   ) (resi   76  and name HA   ) 3.0 1.2 0.5 

! 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  ) 2.7 0.9 0.2 
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 HB2  ) 2.7 0.9 0.2 
assign (resi   76  and name HA   ) (resi   76  and name HB1  ) 2.7 0.9 0.2 
assign (resi   76  and name HA   ) (resi   76  and name HG#  ) 4.0 3.2 2.0 ! Q76   
assign (resi   76  and name HA   ) (resi   77  and name HN   ) 2.7 0.9 1.2 
assign (resi   76  and name HB2  ) (resi   77  and name HN   ) 2.7 0.9 0.2 
assign (resi   76  and name HB1  ) (resi   77  and name HN   ) 3.0 1.2 0.5 
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   78  and name HN   ) 2.7 0.9 0.2 
assign (resi   77  and name HB2  ) (resi   78  and name HN   ) 3.0 1.2 0.5 
assign (resi   77  and name HB1  ) (resi   78  and name HN   ) 3.0 1.2 0.5 

! residue E78 
assign (resi   78  and name HN   ) (resi   78  and name HB2  ) 3.0 1.2 0.5 
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   ) 3.0 1.2 0.5 
assign (resi   78  and name HA   ) (resi   78  and name HB2  ) 2.7 0.9 0.2 
assign (resi   78  and name HA   ) (resi   78  and name HB1  ) 2.7 0.9 0.2 
assign (resi   78  and name HA   ) (resi   79  and name HN   ) 2.7 0.9 1.2 
assign (resi   78  and name HB2  ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assign (resi   78  and name HB2  ) (resi   81  and name HB   ) 2.7 0.9 0.2 
assign (resi   78  and name HB1  ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assign (resi   78  and name HB1  ) (resi   81  and name HB   ) 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   81  and name HN   ) 4.0 2.2 1.0 
assign (resi   79  and name HA   ) (resi   80  and name HN   ) 2.7 0.9 0.2 
assign (resi   79  and name HA   ) (resi   80  and name HA   ) 4.0 2.2 1.0 
assign (resi   79  and name HB2  ) (resi   80  and name HN   ) 4.0 2.2 1.0 
assign (resi   79  and name HB2  ) (resi   81  and name HG*  ) 5.0 5.7 4.5 ! V81   
assign (resi   79  and name HB1  ) (resi   80  and name HN   ) 3.0 1.2 0.5 

! residue L80 
assign (resi   80  and name HN   ) (resi   80  and name HB2  ) 3.0 1.2 0.5 
assign (resi   80  and name HN   ) (resi   80  and name HB1  ) 2.7 0.9 0.2 
assign (resi   80  and name HN   ) (resi   80  and name HD1# ) 5.0 4.7 3.5 ! L80   
assign (resi   80  and name HN   ) (resi   80  and name HD2# ) 5.0 4.7 3.5 ! L80   
assign (resi   80  and name HN   ) (resi   80  and name HD*  ) 5.0 5.7 4.5 ! 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 HB1  ) 2.7 0.9 0.2 
assign (resi   80  and name HA   ) (resi   80  and name HD1# ) 4.0 3.7 2.5 ! L80   
assign (resi   80  and name HA   ) (resi   80  and name HD2# ) 4.0 3.7 2.5 ! L80   
assign (resi   80  and name HA   ) (resi   80  and name HD*  ) 4.0 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 HB2  ) (resi   81  and name HN   ) 3.0 1.2 1.5 
assign (resi   80  and name HB1  ) (resi   81  and name HN   ) 4.0 2.2 1.0 

! residue V81 
assign (resi   81  and name HN   ) (resi   81  and name HB   ) 2.7 0.9 0.2 
assign (resi   81  and name HA   ) (resi   82  and name HN   ) 2.7 0.9 0.2 
assign (resi   81  and name HB   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assign (resi   81  and name HB   ) (resi   83  and name HN   ) 4.0 2.2 1.0 
assign (resi   81  and name HB   ) (resi   83  and name HG2# ) 5.0 4.7 3.5 ! T83   
assign (resi   81  and name HG*  ) (resi   82  and name HN   ) 5.0 5.7 4.5 ! V81   
assign (resi   81  and name HG*  ) (resi   82  and name HA   ) 5.0 5.7 4.5 ! V81   
assign (resi   81  and name HG*  ) (resi   83  and name HA   ) 5.0 5.7 4.5 ! V81   
assign (resi   81  and name HG*  ) (resi   84  and name HN   ) 5.0 5.7 4.5 ! V81   

! 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 HA   ) (resi   82  and name HB2  ) 2.7 0.9 0.2 
assign (resi   82  and name HA   ) (resi   82  and name HG   ) 4.0 2.2 1.0 
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 HB2  ) (resi   85  and name HD#  ) 4.0 4.2 3.0 ! Y85   
assign (resi   82  and name HB2  ) (resi   85  and name HE#  ) 4.0 5.2 4.0 ! Y85   
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   84  and name HN   ) 4.0 3.7 2.5 ! L82   
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   84  and name HN   ) 4.0 3.7 2.5 ! L82   
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   84  and name HN   ) 4.0 4.7 3.5 ! L82   
assign (resi   82  and name HD*  ) (resi   85  and name HA   ) 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  
assign (resi   82  and name HD*  ) (resi   86  and name HN   ) 5.0 5.7 4.5 ! L82   

! 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 HB   ) (resi   84  and name HA#  ) 4.0 3.2 2.0 ! G84   

! 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   85  and name HB1  ) 4.0 3.2 2.0 ! G84   

! residue Y85 
assign (resi   85  and name HN   ) (resi   85  and name HB2  ) 4.0 2.2 1.0 
assign (resi   85  and name HN   ) (resi   85  and name HB1  ) 4.0 2.2 1.0 
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 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#  ) 5.0 6.2 5.0 ! 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 

! 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 HE#  ) 5.0 3.2 2.0 
assign (resi   86  and name HN   ) (resi   87  and name HN   ) 4.0 2.2 1.0 
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 HN   ) (resi   98  and name HZ   ) 4.0 2.2 1.0 
assign (resi   86  and name HA   ) (resi   86  and name HB1  ) 2.7 0.9 0.2 
assign (resi   86  and name HA   ) (resi   87  and name HN   ) 2.7 0.9 0.2 
assign (resi   86  and name HA   ) (resi   87  and name HG1# ) 5.0 4.7 3.5 ! V87   
assign (resi   86  and name HA   ) (resi   87  and name HG2# ) 5.0 4.7 3.5 ! V87   
assign (resi   86  and name HA   ) (resi   87  and name HG*  ) 4.0 4.7 3.5 ! V87   
assign (resi   86  and name HB2  ) (resi   87  and name HN   ) 4.0 2.2 1.0 
assign (resi   86  and name HB2  ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
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   ) 3.0 1.2 0.5 
assign (resi   86  and name HB1  ) (resi   87  and name HG*  ) 5.0 5.7 4.5 ! V87   
assign (resi   86  and name HB1  ) (resi   92  and name HN   ) 5.0 3.2 2.0 
assign (resi   86  and name HE21 ) (resi   98  and name HB2  ) 4.0 2.2 1.0 
assign (resi   86  and name HE21 ) (resi   98  and name HB1  ) 4.0 2.2 1.0 
assign (resi   86  and name HE22 ) (resi   98  and name HB2  ) 4.0 2.2 1.0 
assign (resi   86  and name HE22 ) (resi   98  and name HB1  ) 4.0 2.2 1.0 
assign (resi   86  and name HE#  ) (resi   91  and name HN   ) 5.0 3.2 2.0 
assign (resi   86  and name HE#  ) (resi   98  and name HB#  ) 4.0 3.2 2.0 ! F98   

! residue V87 
assign (resi   87  and name HN   ) (resi   87  and name HB   ) 4.0 2.2 1.0 
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   ) 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 HB   ) (resi   88  and name HN   ) 2.7 0.9 0.2 
assign (resi   87  and name HG*  ) (resi   88  and name HN   ) 5.0 5.7 4.5 ! V87   
assign (resi   87  and name HG*  ) (resi   88  and name HA   ) 5.0 5.7 4.5 ! 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  ) 4.0 2.2 1.0 
assign (resi   88  and name HN   ) (resi   88  and name HB1  ) 4.0 2.2 1.0 
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 HB2  ) 2.7 0.9 0.2 
assign (resi   88  and name HA   ) (resi   89  and name HN   ) 3.0 1.2 0.5 

! 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 HD#  ) 4.0 3.2 2.0 ! K89   
assign (resi   89  and name HN   ) (resi   90  and name HA   ) 4.0 2.2 1.0 
assign (resi   89  and name HA   ) (resi   89  and name HD2  ) 4.0 2.2 1.0 
assign (resi   89  and name HA   ) (resi   89  and name HD1  ) 4.0 2.2 1.0 
assign (resi   89  and name HA   ) (resi   89  and name HD#  ) 4.0 3.2 2.0 ! K89   
assign (resi   89  and name HA   ) (resi   89  and name HE2  ) 5.0 3.2 2.0 
assign (resi   89  and name HA   ) (resi   89  and name HE1  ) 5.0 3.2 2.0 
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   91  and name HN   ) 3.0 1.2 0.5 
assign (resi   89  and name HB2  ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assign (resi   89  and name HB2  ) (resi   93  and name HN   ) 4.0 2.2 1.0 
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   ) 3.0 1.2 0.5 
assign (resi   89  and name HB1  ) (resi   90  and name HA   ) 4.0 2.2 1.0 
assign (resi   89  and name HB1  ) (resi   90  and name HB#  ) 5.0 4.2 3.0 ! N90   
assign (resi   89  and name HB1  ) (resi   91  and name HN   ) 2.7 0.9 0.2 
assign (resi   89  and name HB1  ) (resi   92  and name HN   ) 2.7 0.9 0.2 

! 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   90  and name HD#  ) 5.0 3.2 2.0 
assign (resi   90  and name HN   ) (resi   92  and name HN   ) 4.0 2.2 1.0 
assign (resi   90  and name HN   ) (resi   92  and name HB#  ) 4.0 3.2 2.0 ! D92   
assign (resi   90  and name HN   ) (resi   93  and name HN   ) 4.0 2.2 1.0 
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 HA   ) (resi   93  and name HB#  ) 4.0 3.2 2.0 ! D93   
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 HB#  ) 2.7 1.9 1.2 ! 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   93  and name HN   ) 4.0 2.2 1.0 
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   ) 3.0 2.2 1.5 ! K91   
assign (resi   91  and name HB#  ) (resi   92  and name HA   ) 4.0 3.2 2.0 ! 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 HB2  ) 2.7 0.9 0.2 
assign (resi   92  and name HA   ) (resi   92  and name HB1  ) 2.7 0.9 0.2 
assign (resi   92  and name HA   ) (resi   93  and name HN   ) 2.7 0.9 0.2 
assign (resi   92  and name HA   ) (resi   94  and name HN   ) 3.0 1.2 0.5 

! 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 HB2  ) (resi   94  and name HN   ) 4.0 2.2 1.0 
assign (resi   93  and name HB1  ) (resi   94  and name HN   ) 4.0 2.2 1.0 
assign (resi   93  and name HB#  ) (resi   94  and name HN   ) 3.0 2.2 1.5 ! D93   

! residue E94 
assign (resi   94  and name HN   ) (resi   94  and name HB2  ) 2.7 0.9 1.2 
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 HN   ) (resi   95  and name HB1  ) 4.0 2.2 1.0 
assign (resi   94  and name HA   ) (resi   94  and name HB2  ) 2.7 0.9 0.2 
assign (resi   94  and name HA   ) (resi   94  and name HB1  ) 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 HA   ) (resi   95  and name HB2  ) 4.0 2.2 1.0 
assign (resi   94  and name HA   ) (resi   95  and name HB1  ) 4.0 2.2 1.0 
assign (resi   94  and name HA   ) (resi   95  and name HG   ) 5.0 3.2 2.0 
assign (resi   94  and name HB2  ) (resi   95  and name HN   ) 3.0 1.2 0.5 
assign (resi   94  and name HB2  ) (resi   95  and name HB2  ) 4.0 2.2 1.0 
assign (resi   94  and name HB2  ) (resi   95  and name HB1  ) 4.0 2.2 1.0 
assign (resi   94  and name HB1  ) (resi   95  and name HN   ) 4.0 2.2 1.0 
assign (resi   94  and name HB1  ) (resi   95  and name HB1  ) 4.0 2.2 1.0 
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   ) 4.0 2.2 1.0 
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   98  and name HB#  ) 4.0 3.2 2.0 ! F98   
assign (resi   95  and name HA   ) (resi   95  and name HB1  ) 2.7 0.9 0.2 
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   95  and name HD*  ) 4.0 4.7 3.5 ! L95   
assign (resi   95  and name HB1  ) (resi   97  and name HN   ) 3.0 1.2 0.5 
assign (resi   95  and name HG   ) (resi   96  and name HA   ) 4.0 2.2 1.0 
assign (resi   95  and name HD*  ) (resi   96  and name HN   ) 5.0 5.7 4.5 ! 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 1.2 
assign (resi   96  and name HA   ) (resi   98  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 

! 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  ) 4.0 2.2 1.0 
assign (resi   98  and name HN   ) (resi   98  and name HB1  ) 4.0 2.2 1.0 
assign (resi   98  and name HN   ) (resi   98  and name HB#  ) 3.0 2.2 1.5 ! F98   
assign (resi   98  and name HA   ) (resi   98  and name HB2  ) 2.7 0.9 0.2 
assign (resi   98  and name HA   ) (resi   98  and name HB1  ) 2.7 0.9 0.2 
assign (resi   98  and name HA   ) (resi   98  and name HB#  ) 2.7 1.9 1.2 ! F98   
 
! hydrogen bondings 
 
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   23  and name N    ) (resi   19  and name O    ) 3.3 0.8 0.2 ! V23   I19   
assign (resi   23  and name HN   ) (resi   19  and name O    ) 2.3 0.8 0.2 ! V23   I19   
assign (resi   24  and name N    ) (resi   20  and name O    ) 3.3 0.8 0.2 ! K24   V20   
assign (resi   24  and name HN   ) (resi   20  and name O    ) 2.3 0.8 0.2 ! K24   V20   
assign (resi   27  and name N    ) (resi   23  and name O    ) 3.3 0.8 0.2 ! L27   V23   
assign (resi   27  and name HN   ) (resi   23  and name O    ) 2.3 0.8 0.2 ! L27   V23   
assign (resi   28  and name N    ) (resi   24  and name O    ) 3.3 0.8 0.2 ! E28   K24   
assign (resi   28  and name HN   ) (resi   24  and name O    ) 2.3 0.8 0.2 ! E28   K24   
assign (resi   29  and name N    ) (resi   25  and name O    ) 3.3 0.8 0.2 ! E29   S25   
assign (resi   29  and name HN   ) (resi   25  and name O    ) 2.3 0.8 0.2 ! E29   S25   
assign (resi   30  and name N    ) (resi   26  and name O    ) 3.3 0.8 0.2 ! K30   Q26   
assign (resi   30  and name HN   ) (resi   26  and name O    ) 2.3 0.8 0.2 ! K30   Q26   
assign (resi   31  and name N    ) (resi   27  and name O    ) 3.3 0.8 0.2 ! T31   L27   
assign (resi   31  and name HN   ) (resi   27  and name O    ) 2.3 0.8 0.2 ! T31   L27   
assign (resi   42  and name N    ) (resi   56  and name O    ) 3.3 0.8 0.2 ! Q42   K56   
assign (resi   42  and name HN   ) (resi   56  and name O    ) 2.3 0.8 0.2 ! Q42   K56   
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   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   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   46  and name N    ) (resi   52  and name O    ) 3.3 0.8 0.2 ! Q46   N52   
assign (resi   46  and name HN   ) (resi   52  and name O    ) 2.3 0.8 0.2 ! Q46   N52   
assign (resi   52  and name N    ) (resi   46  and name O    ) 3.3 0.8 0.2 ! N52   Q46   
assign (resi   52  and name HN   ) (resi   46  and name O    ) 2.3 0.8 0.2 ! N52   Q46   
assign (resi   48  and name N    ) (resi   50  and name O    ) 3.3 0.8 0.2 ! V48   G50   
assign (resi   48  and name HN   ) (resi   50  and name O    ) 2.3 0.8 0.2 ! V48   G50   
assign (resi   59  and name N    ) (resi   63  and name O    ) 3.3 0.8 0.2 ! A59   K63   
assign (resi   59  and name HN   ) (resi   63  and name O    ) 2.3 0.8 0.2 ! A59   K63   
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   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   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   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   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   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   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   51  and name N    ) (resi   71  and name O    ) 3.3 0.8 0.2 ! T51   K71   
assign (resi   51  and name HN   ) (resi   71  and name O    ) 2.3 0.8 0.2 ! T51   K71   
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   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   
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   84  and name N    ) (resi   68  and name O    ) 3.3 0.8 0.2 ! G84   K68   
assign (resi   84  and name HN   ) (resi   68  and name O    ) 2.3 0.8 0.2 ! G84   K68   
 
  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1  81.433 -14.303 -14.417
    2   2H    MET   1          HT2       MET   1  81.583 -15.995 -14.396
    3   3H    MET   1          HT3       MET   1  82.919 -15.026 -14.800
    4    HA   MET   1           HA       MET   1  81.621 -15.266 -12.134
    5   1HB   MET   1          HB2       MET   1  84.220 -16.076 -13.446
    6   2HB   MET   1          HB1       MET   1  84.079 -15.964 -11.692
    7   1HG   MET   1          HG2       MET   1  81.922 -17.458 -13.089
    8   2HG   MET   1          HG1       MET   1  83.510 -18.223 -13.063
    9   1HE   MET   1          HE1       MET   1  83.752 -19.998 -11.517
   10   2HE   MET   1          HE2       MET   1  83.929 -19.691  -9.791
   11   3HE   MET   1          HE3       MET   1  84.875 -18.756 -10.946
   12    H    ILE   2           HN       ILE   2  82.353 -13.754 -10.567
   13    HA   ILE   2           HA       ILE   2  84.021 -11.488 -11.601
   14    HB   ILE   2           HB       ILE   2  81.597 -10.970 -11.583
   15   1HG1  ILE   2          2HG1      ILE   2  81.840  -9.089  -9.698
   16   2HG1  ILE   2          1HG1      ILE   2  83.527  -9.601  -9.756
   17   1HG2  ILE   2          1HG2      ILE   2  81.579 -12.526  -9.270
   18   2HG2  ILE   2          2HG2      ILE   2  80.234 -11.565  -9.882
   19   3HG2  ILE   2          3HG2      ILE   2  81.324 -10.886  -8.675
   20   1HD1  ILE   2          1HD1      ILE   2  82.929  -7.715 -11.345
   21   2HD1  ILE   2          2HD1      ILE   2  81.936  -8.874 -12.227
   22   3HD1  ILE   2          3HD1      ILE   2  83.679  -9.118 -12.106
   23    HA   PRO   3           HA       PRO   3  86.266 -12.412  -7.879
   24   1HB   PRO   3          HB2       PRO   3  87.924 -10.236  -7.891
   25   2HB   PRO   3          HB1       PRO   3  88.150 -11.628  -8.969
   26   1HG   PRO   3          HG2       PRO   3  86.963  -8.963  -9.542
   27   2HG   PRO   3          HG1       PRO   3  87.985  -9.988 -10.561
   28   1HD   PRO   3          HD2       PRO   3  85.272  -9.775 -10.846
   29   2HD   PRO   3          HD1       PRO   3  86.213 -11.198 -11.343
   30    H    GLY   4           HN       GLY   4  87.186 -10.569  -6.048
   31   1HA   GLY   4          HA2       GLY   4  86.412  -8.572  -4.799
   32   2HA   GLY   4          HA1       GLY   4  84.768  -8.978  -5.296
   33    H    GLY   5           HN       GLY   5  84.205 -11.396  -4.620
   34   1HA   GLY   5          HA2       GLY   5  84.139 -13.059  -2.906
   35   2HA   GLY   5          HA1       GLY   5  85.401 -12.186  -2.049
   36    H    LEU   6           HN       LEU   6  82.278 -10.851  -3.203
   37    HA   LEU   6           HA       LEU   6  81.719  -9.401  -0.891
   38   1HB   LEU   6          HB2       LEU   6  79.235 -10.314  -1.432
   39   2HB   LEU   6          HB1       LEU   6  80.040  -9.060  -2.349
   40    HG   LEU   6           HG       LEU   6  80.622 -11.822  -3.242
   41   1HD1  LEU   6          1HD1      LEU   6  78.330 -11.605  -4.568
   42   2HD1  LEU   6          2HD1      LEU   6  77.853 -10.694  -3.135
   43   3HD1  LEU   6          3HD1      LEU   6  78.388 -12.367  -2.979
   44   1HD2  LEU   6          1HD2      LEU   6  80.431  -9.097  -4.305
   45   2HD2  LEU   6          2HD2      LEU   6  79.667 -10.285  -5.360
   46   3HD2  LEU   6          3HD2      LEU   6  81.361 -10.468  -4.907
   47    H    SER   7           HN       SER   7  81.689 -10.021   1.099
   48    HA   SER   7           HA       SER   7  81.993 -12.734   1.867
   49   1HB   SER   7          HB2       SER   7  82.819 -10.972   3.267
   50   2HB   SER   7          HB1       SER   7  81.239 -10.202   3.362
   51    HG   SER   7           HG       SER   7  80.991 -11.364   5.090
   52    H    GLU   8           HN       GLU   8  79.228 -10.666   2.896
   53    HA   GLU   8           HA       GLU   8  77.414 -12.977   2.395
   54   1HB   GLU   8          HB2       GLU   8  78.348 -12.318   4.821
   55   2HB   GLU   8          HB1       GLU   8  76.974 -11.248   4.755
   56   1HG   GLU   8          HG2       GLU   8  76.101 -13.235   5.695
   57   2HG   GLU   8          HG1       GLU   8  75.639 -13.329   3.995
   58    H    ALA   9           HN       ALA   9  75.415 -11.304   3.849
   59    HA   ALA   9           HA       ALA   9  74.780  -8.796   2.730
   60   1HB   ALA   9          HB1       ALA   9  74.572 -11.080   0.865
   61   2HB   ALA   9          HB2       ALA   9  74.584  -9.351   0.514
   62   3HB   ALA   9          HB3       ALA   9  73.081 -10.146   0.981
   63    H    LYS  10           HN       LYS  10  74.166  -9.476   5.091
   64    HA   LYS  10           HA       LYS  10  71.519 -10.792   5.240
   65   1HB   LYS  10          HB2       LYS  10  72.216 -11.340   7.376
   66   2HB   LYS  10          HB1       LYS  10  73.805 -10.976   6.712
   67   1HG   LYS  10          HG2       LYS  10  73.280  -8.520   7.391
   68   2HG   LYS  10          HG1       LYS  10  72.046  -9.231   8.424
   69   1HD   LYS  10          HD2       LYS  10  75.033  -9.718   8.511
   70   2HD   LYS  10          HD1       LYS  10  74.025  -8.999   9.766
   71   1HE   LYS  10          HE2       LYS  10  72.749 -11.364   9.528
   72   2HE   LYS  10          HE1       LYS  10  74.382 -11.872   9.053
   73   1HZ   LYS  10          HZ1       LYS  10  75.256 -10.745  11.015
   74   2HZ   LYS  10          HZ2       LYS  10  74.140 -11.948  11.457
   75   3HZ   LYS  10          HZ3       LYS  10  73.685 -10.311  11.486
   76    HA   PRO  11           HA       PRO  11  69.138  -7.273   6.014
   77   1HB   PRO  11          HB2       PRO  11  68.316  -7.314   8.641
   78   2HB   PRO  11          HB1       PRO  11  67.600  -8.298   7.351
   79   1HG   PRO  11          HG2       PRO  11  69.689  -9.044   9.358
   80   2HG   PRO  11          HG1       PRO  11  68.265  -9.962   8.830
   81   1HD   PRO  11          HD2       PRO  11  70.678 -10.542   7.871
   82   2HD   PRO  11          HD1       PRO  11  69.253 -10.587   6.810
   83    H    ALA  12           HN       ALA  12  69.310  -5.154   6.668
   84    HA   ALA  12           HA       ALA  12  71.715  -4.469   8.316
   85   1HB   ALA  12          HB1       ALA  12  72.092  -4.058   5.951
   86   2HB   ALA  12          HB2       ALA  12  71.858  -2.500   6.741
   87   3HB   ALA  12          HB3       ALA  12  70.548  -3.222   5.810
   88    H    THR  13           HN       THR  13  71.407  -2.908   9.844
   89    HA   THR  13           HA       THR  13  68.705  -1.630   9.973
   90    HB   THR  13           HB       THR  13  70.203  -2.220  12.476
   91    HG1  THR  13           HG1      THR  13  69.115  -4.267  10.856
   92   1HG2  THR  13          1HG2      THR  13  67.478  -3.260  11.999
   93   2HG2  THR  13          2HG2      THR  13  67.643  -1.510  11.862
   94   3HG2  THR  13          3HG2      THR  13  68.099  -2.325  13.358
   95    HA   PRO  14           HA       PRO  14  70.922   2.103  10.928
   96   1HB   PRO  14          HB2       PRO  14  71.353   2.682  13.554
   97   2HB   PRO  14          HB1       PRO  14  69.782   2.873  12.756
   98   1HG   PRO  14          HG2       PRO  14  70.746   0.681  14.520
   99   2HG   PRO  14          HG1       PRO  14  69.147   1.435  14.426
  100   1HD   PRO  14          HD2       PRO  14  69.732  -0.969  13.322
  101   2HD   PRO  14          HD1       PRO  14  68.479   0.110  12.678
  102    H    GLU  15           HN       GLU  15  72.317  -0.750  12.211
  103    HA   GLU  15           HA       GLU  15  74.918   0.176  12.953
  104   1HB   GLU  15          HB2       GLU  15  75.230  -2.308  11.948
  105   2HB   GLU  15          HB1       GLU  15  74.741  -1.994  13.613
  106   1HG   GLU  15          HG2       GLU  15  72.454  -2.377  13.084
  107   2HG   GLU  15          HG1       GLU  15  72.764  -2.250  11.352
  108    H    ILE  16           HN       ILE  16  73.333  -0.472   9.971
  109    HA   ILE  16           HA       ILE  16  75.879  -0.536   8.499
  110    HB   ILE  16           HB       ILE  16  72.987  -1.181   8.092
  111   1HG1  ILE  16          2HG1      ILE  16  73.975  -3.105   6.869
  112   2HG1  ILE  16          1HG1      ILE  16  75.575  -2.397   7.071
  113   1HG2  ILE  16          1HG2      ILE  16  74.789  -0.367   5.789
  114   2HG2  ILE  16          2HG2      ILE  16  73.319   0.463   6.303
  115   3HG2  ILE  16          3HG2      ILE  16  73.223  -1.160   5.621
  116   1HD1  ILE  16          1HD1      ILE  16  75.166  -4.110   8.785
  117   2HD1  ILE  16          2HD1      ILE  16  73.724  -3.244   9.315
  118   3HD1  ILE  16          3HD1      ILE  16  75.316  -2.515   9.524
  119    H    GLN  17           HN       GLN  17  73.382   1.432   9.612
  120    HA   GLN  17           HA       GLN  17  73.295   3.612   7.760
  121   1HB   GLN  17          HB2       GLN  17  71.733   2.735   9.733
  122   2HB   GLN  17          HB1       GLN  17  72.659   3.921  10.653
  123   1HG   GLN  17          HG2       GLN  17  70.696   5.027   9.768
  124   2HG   GLN  17          HG1       GLN  17  72.102   5.617   8.881
  125   1HE2  GLN  17          1HE2      GLN  17  71.672   2.477   7.807
  126   2HE2  GLN  17          2HE2      GLN  17  70.691   2.788   6.472
  127    H    GLU  18           HN       GLU  18  75.325   2.617  10.310
  128    HA   GLU  18           HA       GLU  18  76.525   5.265  10.805
  129   1HB   GLU  18          HB2       GLU  18  78.253   3.559  11.905
  130   2HB   GLU  18          HB1       GLU  18  76.703   3.888  12.643
  131   1HG   GLU  18          HG2       GLU  18  75.759   1.881  11.922
  132   2HG   GLU  18          HG1       GLU  18  76.999   1.656  10.694
  133    H    ILE  19           HN       ILE  19  77.405   2.189   9.376
  134    HA   ILE  19           HA       ILE  19  79.844   2.977   8.082
  135    HB   ILE  19           HB       ILE  19  77.795   0.836   8.000
  136   1HG1  ILE  19          2HG1      ILE  19  80.636   1.174   8.440
  137   2HG1  ILE  19          1HG1      ILE  19  79.597  -0.165   8.908
  138   1HG2  ILE  19          1HG2      ILE  19  78.483  -0.063   5.801
  139   2HG2  ILE  19          2HG2      ILE  19  79.455   1.381   5.520
  140   3HG2  ILE  19          3HG2      ILE  19  77.701   1.508   5.634
  141   1HD1  ILE  19          1HD1      ILE  19  80.928   0.206   6.205
  142   2HD1  ILE  19          2HD1      ILE  19  79.805  -1.094   6.602
  143   3HD1  ILE  19          3HD1      ILE  19  81.360  -0.991   7.427
  144    H    VAL  20           HN       VAL  20  76.424   3.343   7.465
  145    HA   VAL  20           HA       VAL  20  76.735   4.383   4.725
  146    HB   VAL  20           HB       VAL  20  74.629   3.767   6.747
  147   1HG1  VAL  20          1HG1      VAL  20  74.244   5.781   4.505
  148   2HG1  VAL  20          2HG1      VAL  20  73.919   6.015   6.223
  149   3HG1  VAL  20          3HG1      VAL  20  72.906   4.927   5.274
  150   1HG2  VAL  20          1HG2      VAL  20  74.893   3.355   3.750
  151   2HG2  VAL  20          2HG2      VAL  20  73.594   2.706   4.750
  152   3HG2  VAL  20          3HG2      VAL  20  75.253   2.164   5.000
  153    H    ASP  21           HN       ASP  21  76.357   5.660   7.990
  154    HA   ASP  21           HA       ASP  21  76.016   8.443   7.148
  155   1HB   ASP  21          HB2       ASP  21  76.358   6.848   9.650
  156   2HB   ASP  21          HB1       ASP  21  76.692   8.576   9.736
  157    H    LYS  22           HN       LYS  22  78.660   6.294   7.872
  158    HA   LYS  22           HA       LYS  22  80.679   8.292   8.359
  159   1HB   LYS  22          HB2       LYS  22  80.299   5.392   8.105
  160   2HB   LYS  22          HB1       LYS  22  81.875   5.946   7.598
  161   1HG   LYS  22          HG2       LYS  22  82.312   6.976   9.723
  162   2HG   LYS  22          HG1       LYS  22  80.636   6.761  10.228
  163   1HD   LYS  22          HD2       LYS  22  81.936   4.250   9.428
  164   2HD   LYS  22          HD1       LYS  22  82.706   5.025  10.813
  165   1HE   LYS  22          HE2       LYS  22  80.849   4.759  12.166
  166   2HE   LYS  22          HE1       LYS  22  79.715   4.873  10.805
  167   1HZ   LYS  22          HZ1       LYS  22  80.355   2.729  10.046
  168   2HZ   LYS  22          HZ2       LYS  22  80.009   2.577  11.702
  169   3HZ   LYS  22          HZ3       LYS  22  81.622   2.627  11.169
  170    H    VAL  23           HN       VAL  23  79.456   6.608   5.472
  171    HA   VAL  23           HA       VAL  23  81.663   7.804   3.884
  172    HB   VAL  23           HB       VAL  23  80.933   6.143   2.223
  173   1HG1  VAL  23          1HG1      VAL  23  81.520   4.147   3.482
  174   2HG1  VAL  23          2HG1      VAL  23  81.083   4.935   4.996
  175   3HG1  VAL  23          3HG1      VAL  23  82.480   5.498   4.079
  176   1HG2  VAL  23          1HG2      VAL  23  78.777   5.486   2.231
  177   2HG2  VAL  23          2HG2      VAL  23  78.518   6.217   3.814
  178   3HG2  VAL  23          3HG2      VAL  23  79.114   4.562   3.694
  179    H    LYS  24           HN       LYS  24  78.217   8.071   4.443
  180    HA   LYS  24           HA       LYS  24  77.412   9.201   1.979
  181   1HB   LYS  24          HB2       LYS  24  75.565  10.141   3.295
  182   2HB   LYS  24          HB1       LYS  24  75.928   8.513   3.860
  183   1HG   LYS  24          HG2       LYS  24  77.080   9.328   5.779
  184   2HG   LYS  24          HG1       LYS  24  77.148  10.967   5.137
  185   1HD   LYS  24          HD2       LYS  24  74.566   9.531   5.806
  186   2HD   LYS  24          HD1       LYS  24  75.385  10.639   6.907
  187   1HE   LYS  24          HE2       LYS  24  75.152  11.887   4.311
  188   2HE   LYS  24          HE1       LYS  24  73.557  11.328   4.853
  189   1HZ   LYS  24          HZ1       LYS  24  74.092  13.517   5.771
  190   2HZ   LYS  24          HZ2       LYS  24  75.485  12.877   6.503
  191   3HZ   LYS  24          HZ3       LYS  24  73.946  12.353   6.997
  192    H    SER  25           HN       SER  25  79.432  10.549   4.470
  193    HA   SER  25           HA       SER  25  79.021  13.330   3.750
  194   1HB   SER  25          HB2       SER  25  80.239  11.961   5.777
  195   2HB   SER  25          HB1       SER  25  81.634  12.428   4.813
  196    HG   SER  25           HG       SER  25  81.344  14.188   5.998
  197    H    GLN  26           HN       GLN  26  81.475  10.895   2.971
  198    HA   GLN  26           HA       GLN  26  82.761  12.573   0.955
  199   1HB   GLN  26          HB2       GLN  26  82.925   9.597   1.565
  200   2HB   GLN  26          HB1       GLN  26  84.081  10.513   0.597
  201   1HG   GLN  26          HG2       GLN  26  84.858  11.733   2.467
  202   2HG   GLN  26          HG1       GLN  26  83.454  11.302   3.441
  203   1HE2  GLN  26          1HE2      GLN  26  83.315   9.018   4.205
  204   2HE2  GLN  26          2HE2      GLN  26  84.729   8.089   4.343
  205    H    LEU  27           HN       LEU  27  80.324  10.011   1.097
  206    HA   LEU  27           HA       LEU  27  80.187   9.555  -1.753
  207   1HB   LEU  27          HB2       LEU  27  79.375   7.821  -0.431
  208   2HB   LEU  27          HB1       LEU  27  78.612   8.898   0.734
  209    HG   LEU  27           HG       LEU  27  77.520   9.051  -2.023
  210   1HD1  LEU  27          1HD1      LEU  27  77.980   6.632  -1.855
  211   2HD1  LEU  27          2HD1      LEU  27  76.247   6.951  -1.800
  212   3HD1  LEU  27          3HD1      LEU  27  77.122   6.576  -0.315
  213   1HD2  LEU  27          1HD2      LEU  27  75.423   9.182  -0.815
  214   2HD2  LEU  27          2HD2      LEU  27  76.597  10.190   0.032
  215   3HD2  LEU  27          3HD2      LEU  27  76.187   8.595   0.661
  216    H    GLU  28           HN       GLU  28  78.621  11.777   0.512
  217    HA   GLU  28           HA       GLU  28  76.560  12.812  -1.138
  218   1HB   GLU  28          HB2       GLU  28  78.191  13.660   1.200
  219   2HB   GLU  28          HB1       GLU  28  77.380  14.956   0.325
  220   1HG   GLU  28          HG2       GLU  28  75.554  12.758   0.661
  221   2HG   GLU  28          HG1       GLU  28  76.245  13.184   2.225
  222    H    GLU  29           HN       GLU  29  79.858  14.140  -0.639
  223    HA   GLU  29           HA       GLU  29  79.504  15.872  -3.004
  224   1HB   GLU  29          HB2       GLU  29  80.644  16.228  -0.587
  225   2HB   GLU  29          HB1       GLU  29  82.066  15.705  -1.491
  226   1HG   GLU  29          HG2       GLU  29  81.995  17.535  -2.929
  227   2HG   GLU  29          HG1       GLU  29  80.266  17.790  -2.682
  228    H    LYS  30           HN       LYS  30  80.155  12.719  -2.936
  229    HA   LYS  30           HA       LYS  30  82.620  12.701  -4.570
  230   1HB   LYS  30          HB2       LYS  30  80.875  10.875  -3.057
  231   2HB   LYS  30          HB1       LYS  30  81.448  10.206  -4.563
  232   1HG   LYS  30          HG2       LYS  30  83.368  11.578  -2.703
  233   2HG   LYS  30          HG1       LYS  30  82.918   9.895  -2.429
  234   1HD   LYS  30          HD2       LYS  30  83.678   9.289  -4.671
  235   2HD   LYS  30          HD1       LYS  30  84.046  10.977  -5.027
  236   1HE   LYS  30          HE2       LYS  30  85.461  10.622  -2.708
  237   2HE   LYS  30          HE1       LYS  30  85.600   9.017  -3.452
  238   1HZ   LYS  30          HZ1       LYS  30  86.123  11.609  -4.812
  239   2HZ   LYS  30          HZ2       LYS  30  86.228  10.075  -5.535
  240   3HZ   LYS  30          HZ3       LYS  30  87.309  10.511  -4.299
  241    H    THR  31           HN       THR  31  79.350  11.375  -4.847
  242    HA   THR  31           HA       THR  31  79.340  12.113  -7.741
  243    HB   THR  31           HB       THR  31  77.910   9.904  -6.212
  244    HG1  THR  31           HG1      THR  31  80.078   9.451  -6.504
  245   1HG2  THR  31          1HG2      THR  31  77.719  10.924  -9.016
  246   2HG2  THR  31          2HG2      THR  31  76.455  10.275  -7.971
  247   3HG2  THR  31          3HG2      THR  31  77.597   9.184  -8.756
  248    H    ASN  32           HN       ASN  32  78.728  13.775  -5.431
  249    HA   ASN  32           HA       ASN  32  77.089  15.268  -4.713
  250   1HB   ASN  32          HB2       ASN  32  76.369  16.316  -6.596
  251   2HB   ASN  32          HB1       ASN  32  77.305  15.121  -7.441
  252   1HD2  ASN  32          1HD2      ASN  32  76.191  13.632  -8.779
  253   2HD2  ASN  32          2HD2      ASN  32  74.501  13.587  -8.928
  254    H    GLU  33           HN       GLU  33  76.772  12.455  -4.052
  255    HA   GLU  33           HA       GLU  33  73.963  11.690  -4.327
  256   1HB   GLU  33          HB2       GLU  33  76.318  10.411  -3.914
  257   2HB   GLU  33          HB1       GLU  33  75.734  10.511  -2.253
  258   1HG   GLU  33          HG2       GLU  33  74.944   8.434  -3.281
  259   2HG   GLU  33          HG1       GLU  33  73.576   9.506  -2.979
  260    H    THR  34           HN       THR  34  73.940  10.750  -1.474
  261    HA   THR  34           HA       THR  34  73.837  13.095   0.215
  262    HB   THR  34           HB       THR  34  71.902  12.958  -1.674
  263    HG1  THR  34           HG1      THR  34  72.362  14.618  -0.099
  264   1HG2  THR  34          1HG2      THR  34  70.857  10.926  -0.875
  265   2HG2  THR  34          2HG2      THR  34  69.784  12.276  -0.514
  266   3HG2  THR  34          3HG2      THR  34  70.763  11.563   0.767
  267    H    TYR  35           HN       TYR  35  72.319   9.902  -0.343
  268    HA   TYR  35           HA       TYR  35  71.824   8.158   1.172
  269   1HB   TYR  35          HB2       TYR  35  74.573   9.175   1.664
  270   2HB   TYR  35          HB1       TYR  35  73.929   8.008   2.814
  271    HD1  TYR  35           HD1      TYR  35  75.349   6.151   2.239
  272    HD2  TYR  35           HD2      TYR  35  73.025   8.121  -0.791
  273    HE1  TYR  35           HE1      TYR  35  75.839   4.309   0.662
  274    HE2  TYR  35           HE2      TYR  35  73.515   6.274  -2.366
  275    HH   TYR  35           HH       TYR  35  74.176   3.645  -1.968
  276    H    GLY  36           HN       GLY  36  72.184   7.718   3.801
  277   1HA   GLY  36          HA2       GLY  36  71.673   8.454   6.000
  278   2HA   GLY  36          HA1       GLY  36  71.579  10.106   5.389
  279    H    LYS  37           HN       LYS  37  69.675   9.863   3.387
  280    HA   LYS  37           HA       LYS  37  67.237   9.443   4.992
  281   1HB   LYS  37          HB2       LYS  37  68.079  11.297   3.128
  282   2HB   LYS  37          HB1       LYS  37  67.014  10.265   2.172
  283   1HG   LYS  37          HG2       LYS  37  65.393  11.638   3.021
  284   2HG   LYS  37          HG1       LYS  37  65.501  10.543   4.400
  285   1HD   LYS  37          HD2       LYS  37  66.631  12.069   5.702
  286   2HD   LYS  37          HD1       LYS  37  67.427  12.817   4.317
  287   1HE   LYS  37          HE2       LYS  37  65.425  14.022   3.712
  288   2HE   LYS  37          HE1       LYS  37  64.461  13.117   4.896
  289   1HZ   LYS  37          HZ1       LYS  37  65.102  15.184   5.886
  290   2HZ   LYS  37          HZ2       LYS  37  66.731  14.947   5.467
  291   3HZ   LYS  37          HZ3       LYS  37  65.997  13.951   6.631
  292    H    LEU  38           HN       LEU  38  69.002   7.236   3.789
  293    HA   LEU  38           HA       LEU  38  66.844   5.837   2.260
  294   1HB   LEU  38          HB2       LEU  38  68.985   4.477   1.520
  295   2HB   LEU  38          HB1       LEU  38  68.611   6.007   0.746
  296    HG   LEU  38           HG       LEU  38  70.198   7.151   2.257
  297   1HD1  LEU  38          1HD1      LEU  38  70.388   6.015   4.257
  298   2HD1  LEU  38          2HD1      LEU  38  71.781   5.323   3.429
  299   3HD1  LEU  38          3HD1      LEU  38  70.261   4.434   3.489
  300   1HD2  LEU  38          1HD2      LEU  38  71.239   6.533   0.253
  301   2HD2  LEU  38          2HD2      LEU  38  71.085   4.809   0.593
  302   3HD2  LEU  38          3HD2      LEU  38  72.284   5.773   1.454
  303    H    GLU  39           HN       GLU  39  66.582   3.560   2.786
  304    HA   GLU  39           HA       GLU  39  67.485   2.937   5.552
  305   1HB   GLU  39          HB2       GLU  39  65.597   1.316   5.472
  306   2HB   GLU  39          HB1       GLU  39  65.078   2.978   5.189
  307   1HG   GLU  39          HG2       GLU  39  65.802   1.823   2.666
  308   2HG   GLU  39          HG1       GLU  39  64.717   0.707   3.492
  309    H    ALA  40           HN       ALA  40  69.169   1.552   5.686
  310    HA   ALA  40           HA       ALA  40  69.977  -0.114   3.413
  311   1HB   ALA  40          HB1       ALA  40  71.945  -0.084   4.550
  312   2HB   ALA  40          HB2       ALA  40  71.177  -0.647   6.035
  313   3HB   ALA  40          HB3       ALA  40  71.167   1.070   5.632
  314    H    VAL  41           HN       VAL  41  68.724  -1.883   3.013
  315    HA   VAL  41           HA       VAL  41  67.345  -3.275   5.198
  316    HB   VAL  41           HB       VAL  41  67.547  -3.525   2.183
  317   1HG1  VAL  41          1HG1      VAL  41  65.527  -5.174   2.637
  318   2HG1  VAL  41          2HG1      VAL  41  66.344  -5.418   4.181
  319   3HG1  VAL  41          3HG1      VAL  41  67.185  -5.776   2.673
  320   1HG2  VAL  41          1HG2      VAL  41  65.474  -2.502   2.156
  321   2HG2  VAL  41          2HG2      VAL  41  66.127  -1.790   3.631
  322   3HG2  VAL  41          3HG2      VAL  41  65.014  -3.154   3.729
  323    H    GLN  42           HN       GLN  42  70.283  -3.702   3.285
  324    HA   GLN  42           HA       GLN  42  71.087  -5.847   5.122
  325   1HB   GLN  42          HB2       GLN  42  70.179  -7.494   3.868
  326   2HB   GLN  42          HB1       GLN  42  69.944  -6.444   2.514
  327   1HG   GLN  42          HG2       GLN  42  72.402  -6.682   1.984
  328   2HG   GLN  42          HG1       GLN  42  72.443  -7.943   3.213
  329   1HE2  GLN  42          1HE2      GLN  42  72.395  -7.750  -0.008
  330   2HE2  GLN  42          2HE2      GLN  42  71.381  -9.052  -0.403
  331    H    TYR  43           HN       TYR  43  73.294  -6.800   4.333
  332    HA   TYR  43           HA       TYR  43  74.944  -4.921   2.760
  333   1HB   TYR  43          HB2       TYR  43  76.293  -4.224   4.610
  334   2HB   TYR  43          HB1       TYR  43  74.615  -3.931   4.978
  335    HD1  TYR  43           HD1      TYR  43  77.549  -5.975   5.738
  336    HD2  TYR  43           HD2      TYR  43  73.426  -5.246   6.691
  337    HE1  TYR  43           HE1      TYR  43  77.786  -7.334   7.797
  338    HE2  TYR  43           HE2      TYR  43  73.662  -6.608   8.751
  339    HH   TYR  43           HH       TYR  43  76.657  -7.507  10.020
  340    H    LYS  44           HN       LYS  44  77.179  -5.526   2.689
  341    HA   LYS  44           HA       LYS  44  77.777  -8.377   3.395
  342   1HB   LYS  44          HB2       LYS  44  78.664  -7.166   0.783
  343   2HB   LYS  44          HB1       LYS  44  78.420  -8.863   1.186
  344   1HG   LYS  44          HG2       LYS  44  76.489  -8.570  -0.002
  345   2HG   LYS  44          HG1       LYS  44  75.896  -7.947   1.529
  346   1HD   LYS  44          HD2       LYS  44  76.805  -5.664   0.733
  347   2HD   LYS  44          HD1       LYS  44  76.864  -6.400  -0.868
  348   1HE   LYS  44          HE2       LYS  44  74.387  -7.074  -0.408
  349   2HE   LYS  44          HE1       LYS  44  74.453  -5.829   0.854
  350   1HZ   LYS  44          HZ1       LYS  44  74.703  -5.540  -2.049
  351   2HZ   LYS  44          HZ2       LYS  44  75.646  -4.512  -1.079
  352   3HZ   LYS  44          HZ3       LYS  44  73.956  -4.516  -0.924
  353    H    THR  45           HN       THR  45  80.356  -8.533   2.495
  354    HA   THR  45           HA       THR  45  81.870  -6.104   3.203
  355    HB   THR  45           HB       THR  45  83.011  -7.612   5.054
  356    HG1  THR  45           HG1      THR  45  81.948  -9.343   5.517
  357   1HG2  THR  45          1HG2      THR  45  81.540  -5.472   5.241
  358   2HG2  THR  45          2HG2      THR  45  81.756  -6.482   6.670
  359   3HG2  THR  45          3HG2      THR  45  80.268  -6.591   5.731
  360    H    GLN  46           HN       GLN  46  84.175  -6.379   2.783
  361    HA   GLN  46           HA       GLN  46  84.954  -8.965   1.513
  362   1HB   GLN  46          HB2       GLN  46  84.214  -7.525  -0.274
  363   2HB   GLN  46          HB1       GLN  46  85.196  -6.203   0.325
  364   1HG   GLN  46          HG2       GLN  46  87.228  -7.361  -0.224
  365   2HG   GLN  46          HG1       GLN  46  86.347  -8.850  -0.568
  366   1HE2  GLN  46          1HE2      GLN  46  84.245  -7.938  -2.167
  367   2HE2  GLN  46          2HE2      GLN  46  84.859  -7.241  -3.587
  368    H    VAL  47           HN       VAL  47  87.364  -8.947   1.097
  369    HA   VAL  47           HA       VAL  47  88.801  -7.411   3.243
  370    HB   VAL  47           HB       VAL  47  89.199 -10.285   2.334
  371   1HG1  VAL  47          1HG1      VAL  47  90.330  -9.240   4.877
  372   2HG1  VAL  47          2HG1      VAL  47  91.102  -8.682   3.393
  373   3HG1  VAL  47          3HG1      VAL  47  91.005 -10.408   3.742
  374   1HG2  VAL  47          1HG2      VAL  47  88.091  -9.220   4.950
  375   2HG2  VAL  47          2HG2      VAL  47  88.206 -10.910   4.458
  376   3HG2  VAL  47          3HG2      VAL  47  87.088  -9.825   3.631
  377    H    VAL  48           HN       VAL  48  90.156  -6.036   2.233
  378    HA   VAL  48           HA       VAL  48  91.916  -7.018   0.039
  379    HB   VAL  48           HB       VAL  48  90.466  -4.380  -0.049
  380   1HG1  VAL  48          1HG1      VAL  48  92.625  -5.146  -1.438
  381   2HG1  VAL  48          2HG1      VAL  48  91.364  -4.146  -2.160
  382   3HG1  VAL  48          3HG1      VAL  48  91.386  -5.885  -2.453
  383   1HG2  VAL  48          1HG2      VAL  48  89.021  -5.563  -1.808
  384   2HG2  VAL  48          2HG2      VAL  48  88.688  -5.972  -0.125
  385   3HG2  VAL  48          3HG2      VAL  48  89.626  -7.076  -1.131
  386    H    ALA  49           HN       ALA  49  92.275  -3.812   0.139
  387    HA   ALA  49           HA       ALA  49  94.636  -3.905   1.871
  388   1HB   ALA  49          HB1       ALA  49  93.353  -1.375   0.905
  389   2HB   ALA  49          HB2       ALA  49  93.969  -2.496  -0.309
  390   3HB   ALA  49          HB3       ALA  49  95.058  -1.824   0.906
  391    H    GLY  50           HN       GLY  50  92.604  -4.690   3.450
  392   1HA   GLY  50          HA2       GLY  50  92.377  -3.646   5.796
  393   2HA   GLY  50          HA1       GLY  50  91.665  -2.291   4.932
  394    H    THR  51           HN       THR  51  89.534  -2.413   5.454
  395    HA   THR  51           HA       THR  51  88.095  -4.916   4.670
  396    HB   THR  51           HB       THR  51  88.758  -4.381   7.237
  397    HG1  THR  51           HG1      THR  51  87.696  -6.240   6.558
  398   1HG2  THR  51          1HG2      THR  51  86.010  -3.162   6.874
  399   2HG2  THR  51          2HG2      THR  51  87.484  -2.233   7.114
  400   3HG2  THR  51          3HG2      THR  51  86.912  -3.307   8.381
  401    H    ASN  52           HN       ASN  52  86.369  -4.363   3.400
  402    HA   ASN  52           HA       ASN  52  85.231  -1.633   3.600
  403   1HB   ASN  52          HB2       ASN  52  84.555  -3.327   1.301
  404   2HB   ASN  52          HB1       ASN  52  85.094  -1.661   1.333
  405   1HD2  ASN  52          1HD2      ASN  52  86.028  -4.299  -0.148
  406   2HD2  ASN  52          2HD2      ASN  52  87.715  -4.236   0.022
  407    H    TYR  53           HN       TYR  53  82.845  -1.693   2.767
  408    HA   TYR  53           HA       TYR  53  81.369  -4.101   3.694
  409   1HB   TYR  53          HB2       TYR  53  81.488  -1.368   4.867
  410   2HB   TYR  53          HB1       TYR  53  79.896  -2.109   4.762
  411    HD1  TYR  53           HD1      TYR  53  83.376  -2.725   5.973
  412    HD2  TYR  53           HD2      TYR  53  79.216  -3.731   6.336
  413    HE1  TYR  53           HE1      TYR  53  83.880  -4.077   7.989
  414    HE2  TYR  53           HE2      TYR  53  79.719  -5.084   8.353
  415    HH   TYR  53           HH       TYR  53  82.305  -4.817  10.145
  416    H    TYR  54           HN       TYR  54  79.837  -4.522   2.134
  417    HA   TYR  54           HA       TYR  54  79.045  -2.330   0.261
  418   1HB   TYR  54          HB2       TYR  54  78.541  -5.322   0.118
  419   2HB   TYR  54          HB1       TYR  54  78.404  -4.167  -1.202
  420    HD1  TYR  54           HD1      TYR  54  81.028  -2.644  -0.091
  421    HD2  TYR  54           HD2      TYR  54  80.107  -6.676  -1.262
  422    HE1  TYR  54           HE1      TYR  54  83.413  -3.032  -0.639
  423    HE2  TYR  54           HE2      TYR  54  82.494  -7.057  -1.813
  424    HH   TYR  54           HH       TYR  54  84.654  -4.730  -2.324
  425    H    ILE  55           HN       ILE  55  76.821  -1.669   0.186
  426    HA   ILE  55           HA       ILE  55  75.018  -3.097   2.123
  427    HB   ILE  55           HB       ILE  55  74.905  -0.142   1.632
  428   1HG1  ILE  55          2HG1      ILE  55  77.255  -0.595   2.245
  429   2HG1  ILE  55          1HG1      ILE  55  76.415   0.169   3.595
  430   1HG2  ILE  55          1HG2      ILE  55  73.127  -1.441   2.875
  431   2HG2  ILE  55          2HG2      ILE  55  73.852  -0.111   3.780
  432   3HG2  ILE  55          3HG2      ILE  55  74.340  -1.773   4.112
  433   1HD1  ILE  55          1HD1      ILE  55  77.789  -2.307   3.611
  434   2HD1  ILE  55          2HD1      ILE  55  76.074  -2.685   3.739
  435   3HD1  ILE  55          3HD1      ILE  55  76.825  -1.610   4.913
  436    H    LYS  56           HN       LYS  56  73.075  -3.632   1.358
  437    HA   LYS  56           HA       LYS  56  72.171  -2.631  -1.289
  438   1HB   LYS  56          HB2       LYS  56  72.171  -5.082  -0.576
  439   2HB   LYS  56          HB1       LYS  56  70.940  -4.661   0.613
  440   1HG   LYS  56          HG2       LYS  56  69.497  -3.800  -1.219
  441   2HG   LYS  56          HG1       LYS  56  70.712  -4.312  -2.391
  442   1HD   LYS  56          HD2       LYS  56  70.466  -6.636  -1.140
  443   2HD   LYS  56          HD1       LYS  56  68.888  -5.981  -0.700
  444   1HE   LYS  56          HE2       LYS  56  68.421  -5.544  -3.113
  445   2HE   LYS  56          HE1       LYS  56  69.970  -6.308  -3.522
  446   1HZ   LYS  56          HZ1       LYS  56  69.274  -8.307  -2.395
  447   2HZ   LYS  56          HZ2       LYS  56  68.116  -7.900  -3.569
  448   3HZ   LYS  56          HZ3       LYS  56  67.812  -7.586  -1.927
  449    H    VAL  57           HN       VAL  57  71.807  -0.412  -0.323
  450    HA   VAL  57           HA       VAL  57  69.472  -0.275   1.541
  451    HB   VAL  57           HB       VAL  57  71.566   0.819   2.228
  452   1HG1  VAL  57          1HG1      VAL  57  72.238   2.876   0.801
  453   2HG1  VAL  57          2HG1      VAL  57  71.313   2.103  -0.486
  454   3HG1  VAL  57          3HG1      VAL  57  72.702   1.279   0.217
  455   1HG2  VAL  57          1HG2      VAL  57  70.076   2.224   3.185
  456   2HG2  VAL  57          2HG2      VAL  57  69.074   2.285   1.737
  457   3HG2  VAL  57          3HG2      VAL  57  70.480   3.337   1.881
  458    H    ARG  58           HN       ARG  58  67.678   1.044   0.999
  459    HA   ARG  58           HA       ARG  58  67.378   1.626  -1.906
  460   1HB   ARG  58          HB2       ARG  58  65.753   0.149  -1.209
  461   2HB   ARG  58          HB1       ARG  58  65.655   0.830   0.407
  462   1HG   ARG  58          HG2       ARG  58  64.327   2.651  -0.333
  463   2HG   ARG  58          HG1       ARG  58  64.739   2.373  -2.026
  464   1HD   ARG  58          HD2       ARG  58  62.471   1.551  -1.635
  465   2HD   ARG  58          HD1       ARG  58  63.535   0.150  -1.869
  466    HE   ARG  58           HE       ARG  58  63.146   1.114   0.911
  467   1HH1  ARG  58          1HH1      ARG  58  61.340  -0.648  -1.268
  468   2HH1  ARG  58          2HH1      ARG  58  61.304  -2.112  -0.342
  469   1HH2  ARG  58          1HH2      ARG  58  63.625  -1.009   1.986
  470   2HH2  ARG  58          2HH2      ARG  58  62.598  -2.316   1.500
  471    H    ALA  59           HN       ALA  59  66.107   3.602  -2.436
  472    HA   ALA  59           HA       ALA  59  66.368   5.769  -0.376
  473   1HB   ALA  59          HB1       ALA  59  66.980   7.120  -2.610
  474   2HB   ALA  59          HB2       ALA  59  67.517   5.521  -3.122
  475   3HB   ALA  59          HB3       ALA  59  68.212   6.265  -1.682
  476    H    GLY  60           HN       GLY  60  63.993   4.272  -1.314
  477   1HA   GLY  60          HA2       GLY  60  62.124   6.366  -1.568
  478   2HA   GLY  60          HA1       GLY  60  62.471   5.774  -3.181
  479    H    ASP  61           HN       ASP  61  61.250   4.242  -3.817
  480    HA   ASP  61           HA       ASP  61  60.380   2.043  -2.066
  481   1HB   ASP  61          HB2       ASP  61  58.797   4.279  -2.341
  482   2HB   ASP  61          HB1       ASP  61  58.163   3.229  -3.608
  483    H    ASN  62           HN       ASN  62  61.938   2.656  -4.616
  484    HA   ASN  62           HA       ASN  62  61.230   0.288  -6.097
  485   1HB   ASN  62          HB2       ASN  62  60.073   2.916  -6.734
  486   2HB   ASN  62          HB1       ASN  62  60.831   2.123  -8.106
  487   1HD2  ASN  62          1HD2      ASN  62  57.895   2.530  -7.571
  488   2HD2  ASN  62          2HD2      ASN  62  57.215   0.975  -7.574
  489    H    LYS  63           HN       LYS  63  63.564   1.647  -4.899
  490    HA   LYS  63           HA       LYS  63  65.404   1.433  -7.192
  491   1HB   LYS  63          HB2       LYS  63  64.394   3.951  -6.084
  492   2HB   LYS  63          HB1       LYS  63  66.155   3.867  -6.056
  493   1HG   LYS  63          HG2       LYS  63  66.328   3.890  -8.335
  494   2HG   LYS  63          HG1       LYS  63  64.868   2.925  -8.556
  495   1HD   LYS  63          HD2       LYS  63  63.480   4.764  -8.540
  496   2HD   LYS  63          HD1       LYS  63  64.538   5.685  -7.470
  497   1HE   LYS  63          HE2       LYS  63  64.750   6.751  -9.600
  498   2HE   LYS  63          HE1       LYS  63  66.194   5.727  -9.472
  499   1HZ   LYS  63          HZ1       LYS  63  64.960   5.424 -11.587
  500   2HZ   LYS  63          HZ2       LYS  63  63.632   4.852 -10.695
  501   3HZ   LYS  63          HZ3       LYS  63  65.100   3.998 -10.680
  502    H    TYR  64           HN       TYR  64  67.551   1.026  -6.486
  503    HA   TYR  64           HA       TYR  64  68.024   0.997  -3.519
  504   1HB   TYR  64          HB2       TYR  64  67.926  -1.187  -5.511
  505   2HB   TYR  64          HB1       TYR  64  69.338  -1.216  -4.457
  506    HD1  TYR  64           HD1      TYR  64  69.081  -1.393  -2.003
  507    HD2  TYR  64           HD2      TYR  64  65.699  -1.567  -4.645
  508    HE1  TYR  64           HE1      TYR  64  67.692  -2.312  -0.165
  509    HE2  TYR  64           HE2      TYR  64  64.310  -2.486  -2.808
  510    HH   TYR  64           HH       TYR  64  64.807  -2.233   0.173
  511    H    LEU  65           HN       LEU  65  70.197   1.046  -2.921
  512    HA   LEU  65           HA       LEU  65  72.066   1.979  -5.049
  513   1HB   LEU  65          HB2       LEU  65  72.035   3.185  -2.320
  514   2HB   LEU  65          HB1       LEU  65  72.510   3.892  -3.841
  515    HG   LEU  65           HG       LEU  65  69.948   3.571  -4.432
  516   1HD1  LEU  65          1HD1      LEU  65  70.140   3.177  -1.518
  517   2HD1  LEU  65          2HD1      LEU  65  68.842   2.742  -2.627
  518   3HD1  LEU  65          3HD1      LEU  65  68.955   4.386  -2.004
  519   1HD2  LEU  65          1HD2      LEU  65  69.763   5.859  -4.160
  520   2HD2  LEU  65          2HD2      LEU  65  71.510   5.691  -3.995
  521   3HD2  LEU  65          3HD2      LEU  65  70.498   5.833  -2.558
  522    H    HIS  66           HN       HIS  66  73.937   0.858  -4.943
  523    HA   HIS  66           HA       HIS  66  74.540  -0.716  -2.478
  524   1HB   HIS  66          HB2       HIS  66  75.096  -0.932  -5.415
  525   2HB   HIS  66          HB1       HIS  66  76.213  -1.700  -4.289
  526    HD1  HIS  66           HD1      HIS  66  74.303  -2.727  -2.148
  527    HD2  HIS  66           HD2      HIS  66  73.533  -3.064  -6.228
  528    HE1  HIS  66           HE1      HIS  66  72.666  -4.642  -2.415
  529    H    LEU  67           HN       LEU  67  75.941   0.409  -1.148
  530    HA   LEU  67           HA       LEU  67  77.940   2.205  -2.409
  531   1HB   LEU  67          HB2       LEU  67  78.265   2.825   0.070
  532   2HB   LEU  67          HB1       LEU  67  76.758   3.272  -0.700
  533    HG   LEU  67           HG       LEU  67  76.777   0.600   0.565
  534   1HD1  LEU  67          1HD1      LEU  67  77.844   1.450   2.420
  535   2HD1  LEU  67          2HD1      LEU  67  76.210   2.008   2.779
  536   3HD1  LEU  67          3HD1      LEU  67  77.379   3.112   2.055
  537   1HD2  LEU  67          1HD2      LEU  67  74.931   2.754  -0.137
  538   2HD2  LEU  67          2HD2      LEU  67  74.655   2.164   1.501
  539   3HD2  LEU  67          3HD2      LEU  67  74.600   1.047   0.138
  540    H    LYS  68           HN       LYS  68  80.150   2.169  -1.559
  541    HA   LYS  68           HA       LYS  68  81.006  -0.572  -0.693
  542   1HB   LYS  68          HB2       LYS  68  81.302   0.571  -3.159
  543   2HB   LYS  68          HB1       LYS  68  82.807   1.076  -2.362
  544   1HG   LYS  68          HG2       LYS  68  83.560  -0.975  -3.013
  545   2HG   LYS  68          HG1       LYS  68  82.665  -1.544  -1.606
  546   1HD   LYS  68          HD2       LYS  68  81.388  -2.791  -2.980
  547   2HD   LYS  68          HD1       LYS  68  80.763  -1.299  -3.683
  548   1HE   LYS  68          HE2       LYS  68  81.659  -2.344  -5.579
  549   2HE   LYS  68          HE1       LYS  68  83.051  -1.380  -5.047
  550   1HZ   LYS  68          HZ1       LYS  68  82.488  -4.203  -4.305
  551   2HZ   LYS  68          HZ2       LYS  68  83.776  -3.275  -3.700
  552   3HZ   LYS  68          HZ3       LYS  68  83.714  -3.674  -5.350
  553    H    VAL  69           HN       VAL  69  81.093   0.317   1.503
  554    HA   VAL  69           HA       VAL  69  82.834   2.585   2.134
  555    HB   VAL  69           HB       VAL  69  81.662   0.410   3.905
  556   1HG1  VAL  69          1HG1      VAL  69  82.954   3.064   4.352
  557   2HG1  VAL  69          2HG1      VAL  69  83.050   1.591   5.316
  558   3HG1  VAL  69          3HG1      VAL  69  81.618   2.616   5.413
  559   1HG2  VAL  69          1HG2      VAL  69  80.136   2.822   4.005
  560   2HG2  VAL  69          2HG2      VAL  69  79.614   1.233   3.450
  561   3HG2  VAL  69          3HG2      VAL  69  80.314   2.378   2.308
  562    H    PHE  70           HN       PHE  70  85.052   2.365   2.364
  563    HA   PHE  70           HA       PHE  70  86.154  -0.396   2.741
  564   1HB   PHE  70          HB2       PHE  70  86.607   0.275   0.571
  565   2HB   PHE  70          HB1       PHE  70  86.683   1.961   0.979
  566    HD1  PHE  70           HD1      PHE  70  88.488  -0.865   2.631
  567    HD2  PHE  70           HD2      PHE  70  88.803   2.600   0.113
  568    HE1  PHE  70           HE1      PHE  70  90.957  -1.012   2.740
  569    HE2  PHE  70           HE2      PHE  70  91.275   2.455   0.226
  570    HZ   PHE  70           HZ       PHE  70  92.353   0.649   1.541
  571    H    LYS  71           HN       LYS  71  87.556  -0.706   4.387
  572    HA   LYS  71           HA       LYS  71  88.620   1.766   5.771
  573   1HB   LYS  71          HB2       LYS  71  86.899  -0.052   6.795
  574   2HB   LYS  71          HB1       LYS  71  88.427  -0.850   7.176
  575   1HG   LYS  71          HG2       LYS  71  88.945   1.758   7.896
  576   2HG   LYS  71          HG1       LYS  71  87.247   1.583   8.336
  577   1HD   LYS  71          HD2       LYS  71  88.708  -0.784   9.121
  578   2HD   LYS  71          HD1       LYS  71  89.495   0.650   9.778
  579   1HE   LYS  71          HE2       LYS  71  87.410   1.388  10.808
  580   2HE   LYS  71          HE1       LYS  71  86.527   0.049  10.049
  581   1HZ   LYS  71          HZ1       LYS  71  88.824  -0.230  11.916
  582   2HZ   LYS  71          HZ2       LYS  71  87.995  -1.512  11.169
  583   3HZ   LYS  71          HZ3       LYS  71  87.200  -0.529  12.305
  584    H    SER  72           HN       SER  72  90.881   1.757   6.207
  585    HA   SER  72           HA       SER  72  92.351  -0.498   4.916
  586   1HB   SER  72          HB2       SER  72  92.784   1.678   3.994
  587   2HB   SER  72          HB1       SER  72  93.095   2.357   5.584
  588    HG   SER  72           HG       SER  72  94.835   1.352   3.958
  589    H    LEU  73           HN       LEU  73  94.514   1.184   6.704
  590    HA   LEU  73           HA       LEU  73  94.653   0.713   9.330
  591   1HB   LEU  73          HB2       LEU  73  93.714  -1.461   9.340
  592   2HB   LEU  73          HB1       LEU  73  94.576  -1.938   7.882
  593    HG   LEU  73           HG       LEU  73  96.312  -1.182  10.153
  594   1HD1  LEU  73          1HD1      LEU  73  95.830  -2.956  11.579
  595   2HD1  LEU  73          2HD1      LEU  73  95.038  -3.893  10.312
  596   3HD1  LEU  73          3HD1      LEU  73  94.209  -2.517  11.039
  597   1HD2  LEU  73          1HD2      LEU  73  97.267  -3.496   9.387
  598   2HD2  LEU  73          2HD2      LEU  73  97.426  -2.112   8.305
  599   3HD2  LEU  73          3HD2      LEU  73  96.161  -3.309   8.025
  600    HA   PRO  74           HA       PRO  74  98.935  -0.330   7.336
  601   1HB   PRO  74          HB2       PRO  74  98.960  -0.682   4.624
  602   2HB   PRO  74          HB1       PRO  74  98.691  -2.011   5.758
  603   1HG   PRO  74          HG2       PRO  74  96.708  -0.482   4.173
  604   2HG   PRO  74          HG1       PRO  74  96.793  -2.220   4.504
  605   1HD   PRO  74          HD2       PRO  74  95.133  -0.553   5.823
  606   2HD   PRO  74          HD1       PRO  74  95.808  -2.008   6.565
  607    H    GLY  75           HN       GLY  75  96.489   1.704   6.130
  608   1HA   GLY  75          HA2       GLY  75  98.368   3.943   5.780
  609   2HA   GLY  75          HA1       GLY  75  97.372   3.531   4.369
  610    H    GLN  76           HN       GLN  76  96.770   3.430   7.815
  611    HA   GLN  76           HA       GLN  76  94.200   3.786   8.202
  612   1HB   GLN  76          HB2       GLN  76  95.030   5.714   9.899
  613   2HB   GLN  76          HB1       GLN  76  95.389   4.022  10.142
  614   1HG   GLN  76          HG2       GLN  76  97.606   4.248   9.524
  615   2HG   GLN  76          HG1       GLN  76  97.274   5.626   8.478
  616   1HE2  GLN  76          1HE2      GLN  76  96.799   4.897  11.991
  617   2HE2  GLN  76          2HE2      GLN  76  97.447   6.371  12.528
  618    H    ASN  77           HN       ASN  77  96.273   6.414   7.246
  619    HA   ASN  77           HA       ASN  77  94.932   8.737   7.271
  620   1HB   ASN  77          HB2       ASN  77  96.028   9.308   5.200
  621   2HB   ASN  77          HB1       ASN  77  97.060   8.177   6.052
  622   1HD2  ASN  77          1HD2      ASN  77  94.733   8.416   3.350
  623   2HD2  ASN  77          2HD2      ASN  77  95.294   7.035   2.539
  624    H    GLU  78           HN       GLU  78  94.195   6.197   4.938
  625    HA   GLU  78           HA       GLU  78  91.930   7.568   3.760
  626   1HB   GLU  78          HB2       GLU  78  91.463   4.897   3.304
  627   2HB   GLU  78          HB1       GLU  78  92.484   5.911   2.318
  628   1HG   GLU  78          HG2       GLU  78  94.465   5.198   3.549
  629   2HG   GLU  78          HG1       GLU  78  93.459   4.234   4.634
  630    H    ASP  79           HN       ASP  79  91.764   4.502   5.559
  631    HA   ASP  79           HA       ASP  79  90.187   3.680   7.053
  632   1HB   ASP  79          HB2       ASP  79  90.920   6.442   7.688
  633   2HB   ASP  79          HB1       ASP  79  89.395   5.937   8.376
  634    H    LEU  80           HN       LEU  80  88.049   3.163   6.833
  635    HA   LEU  80           HA       LEU  80  86.029   3.091   5.611
  636   1HB   LEU  80          HB2       LEU  80  84.559   4.401   6.868
  637   2HB   LEU  80          HB1       LEU  80  85.940   4.210   7.928
  638    HG   LEU  80           HG       LEU  80  86.487   6.514   6.391
  639   1HD1  LEU  80          1HD1      LEU  80  83.865   6.241   6.051
  640   2HD1  LEU  80          2HD1      LEU  80  84.582   7.826   6.344
  641   3HD1  LEU  80          3HD1      LEU  80  83.818   6.945   7.667
  642   1HD2  LEU  80          1HD2      LEU  80  87.179   6.249   8.688
  643   2HD2  LEU  80          2HD2      LEU  80  85.506   6.099   9.228
  644   3HD2  LEU  80          3HD2      LEU  80  86.102   7.645   8.623
  645    H    VAL  81           HN       VAL  81  87.841   4.002   3.738
  646    HA   VAL  81           HA       VAL  81  86.825   6.526   2.571
  647    HB   VAL  81           HB       VAL  81  89.078   4.575   2.021
  648   1HG1  VAL  81          1HG1      VAL  81  88.827   5.031  -0.197
  649   2HG1  VAL  81          2HG1      VAL  81  89.494   6.608   0.221
  650   3HG1  VAL  81          3HG1      VAL  81  87.748   6.393   0.103
  651   1HG2  VAL  81          1HG2      VAL  81  90.422   6.605   2.368
  652   2HG2  VAL  81          2HG2      VAL  81  89.330   6.358   3.728
  653   3HG2  VAL  81          3HG2      VAL  81  88.955   7.571   2.507
  654    H    LEU  82           HN       LEU  82  84.636   5.693   2.141
  655    HA   LEU  82           HA       LEU  82  84.062   3.403   0.550
  656   1HB   LEU  82          HB2       LEU  82  82.365   4.487   1.819
  657   2HB   LEU  82          HB1       LEU  82  82.693   6.048   1.077
  658    HG   LEU  82           HG       LEU  82  82.009   4.035  -0.926
  659   1HD1  LEU  82          1HD1      LEU  82  79.473   4.397   0.024
  660   2HD1  LEU  82          2HD1      LEU  82  80.374   4.210   1.529
  661   3HD1  LEU  82          3HD1      LEU  82  80.433   2.945   0.301
  662   1HD2  LEU  82          1HD2      LEU  82  80.118   5.921  -1.138
  663   2HD2  LEU  82          2HD2      LEU  82  81.770   6.213  -1.679
  664   3HD2  LEU  82          3HD2      LEU  82  81.240   6.807  -0.107
  665    H    THR  83           HN       THR  83  85.565   3.365  -1.207
  666    HA   THR  83           HA       THR  83  85.574   5.627  -3.107
  667    HB   THR  83           HB       THR  83  87.044   2.992  -3.076
  668    HG1  THR  83           HG1      THR  83  88.747   4.398  -2.289
  669   1HG2  THR  83          1HG2      THR  83  88.648   4.685  -4.410
  670   2HG2  THR  83          2HG2      THR  83  87.087   5.394  -4.824
  671   3HG2  THR  83          3HG2      THR  83  87.423   3.709  -5.221
  672    H    GLY  84           HN       GLY  84  83.519   3.031  -2.647
  673   1HA   GLY  84          HA2       GLY  84  82.942   3.000  -5.579
  674   2HA   GLY  84          HA1       GLY  84  83.070   1.468  -4.714
  675    H    TYR  85           HN       TYR  85  80.697   2.499  -6.047
  676    HA   TYR  85           HA       TYR  85  78.709   1.805  -4.193
  677   1HB   TYR  85          HB2       TYR  85  77.806   4.167  -3.720
  678   2HB   TYR  85          HB1       TYR  85  79.263   3.720  -2.848
  679    HD1  TYR  85           HD1      TYR  85  81.239   5.005  -3.081
  680    HD2  TYR  85           HD2      TYR  85  78.061   5.447  -5.932
  681    HE1  TYR  85           HE1      TYR  85  82.422   6.933  -4.098
  682    HE2  TYR  85           HE2      TYR  85  79.242   7.371  -6.952
  683    HH   TYR  85           HH       TYR  85  82.417   8.041  -6.479
  684    H    GLN  86           HN       GLN  86  76.485   2.855  -4.856
  685    HA   GLN  86           HA       GLN  86  76.275   3.880  -7.587
  686   1HB   GLN  86          HB2       GLN  86  76.052   1.032  -6.870
  687   2HB   GLN  86          HB1       GLN  86  74.676   1.644  -7.779
  688   1HG   GLN  86          HG2       GLN  86  76.831   2.761  -9.113
  689   2HG   GLN  86          HG1       GLN  86  77.431   1.165  -8.670
  690   1HE2  GLN  86          1HE2      GLN  86  74.815  -0.177  -8.771
  691   2HE2  GLN  86          2HE2      GLN  86  74.366  -0.253 -10.406
  692    H    VAL  87           HN       VAL  87  74.120   4.729  -7.937
  693    HA   VAL  87           HA       VAL  87  72.189   4.358  -5.686
  694    HB   VAL  87           HB       VAL  87  71.940   6.844  -5.625
  695   1HG1  VAL  87          1HG1      VAL  87  73.676   7.077  -4.136
  696   2HG1  VAL  87          2HG1      VAL  87  74.858   6.374  -5.239
  697   3HG1  VAL  87          3HG1      VAL  87  73.752   5.329  -4.348
  698   1HG2  VAL  87          1HG2      VAL  87  74.455   7.490  -6.885
  699   2HG2  VAL  87          2HG2      VAL  87  72.849   8.121  -7.247
  700   3HG2  VAL  87          3HG2      VAL  87  73.419   6.655  -8.042
  701    H    ASP  88           HN       ASP  88  70.092   5.558  -6.228
  702    HA   ASP  88           HA       ASP  88  68.161   5.450  -7.572
  703   1HB   ASP  88          HB2       ASP  88  68.347   7.080  -9.382
  704   2HB   ASP  88          HB1       ASP  88  69.260   7.633  -7.981
  705    H    LYS  89           HN       LYS  89  68.651   2.975  -7.875
  706    HA   LYS  89           HA       LYS  89  68.564   2.477 -10.811
  707   1HB   LYS  89          HB2       LYS  89  70.170   0.645  -9.040
  708   2HB   LYS  89          HB1       LYS  89  70.244   0.841 -10.780
  709   1HG   LYS  89          HG2       LYS  89  71.028   3.273 -10.244
  710   2HG   LYS  89          HG1       LYS  89  71.386   2.624  -8.643
  711   1HD   LYS  89          HD2       LYS  89  73.371   1.983  -9.525
  712   2HD   LYS  89          HD1       LYS  89  72.456   0.706 -10.327
  713   1HE   LYS  89          HE2       LYS  89  73.571   1.744 -12.131
  714   2HE   LYS  89          HE1       LYS  89  71.997   2.563 -12.145
  715   1HZ   LYS  89          HZ1       LYS  89  72.881   4.322 -10.809
  716   2HZ   LYS  89          HZ2       LYS  89  73.908   4.121 -12.147
  717   3HZ   LYS  89          HZ3       LYS  89  74.363   3.519 -10.624
  718    H    ASN  90           HN       ASN  90  67.528   0.486 -11.337
  719    HA   ASN  90           HA       ASN  90  66.237  -1.030  -9.137
  720   1HB   ASN  90          HB2       ASN  90  64.888   1.024 -10.136
  721   2HB   ASN  90          HB1       ASN  90  64.595  -0.087 -11.475
  722   1HD2  ASN  90          1HD2      ASN  90  62.498  -0.877 -11.151
  723   2HD2  ASN  90          2HD2      ASN  90  61.922  -1.509  -9.685
  724    H    LYS  91           HN       LYS  91  68.346  -1.421 -11.219
  725    HA   LYS  91           HA       LYS  91  67.222  -3.895 -12.443
  726   1HB   LYS  91          HB2       LYS  91  67.208  -1.615 -13.815
  727   2HB   LYS  91          HB1       LYS  91  68.892  -2.046 -14.088
  728   1HG   LYS  91          HG2       LYS  91  68.243  -4.203 -15.015
  729   2HG   LYS  91          HG1       LYS  91  66.549  -3.892 -14.631
  730   1HD   LYS  91          HD2       LYS  91  68.110  -2.003 -16.387
  731   2HD   LYS  91          HD1       LYS  91  67.340  -3.440 -17.060
  732   1HE   LYS  91          HE2       LYS  91  65.301  -2.414 -15.533
  733   2HE   LYS  91          HE1       LYS  91  66.104  -0.937 -16.102
  734   1HZ   LYS  91          HZ1       LYS  91  66.125  -1.906 -18.349
  735   2HZ   LYS  91          HZ2       LYS  91  64.546  -1.674 -17.765
  736   3HZ   LYS  91          HZ3       LYS  91  65.230  -3.230 -17.779
  737    H    ASP  92           HN       ASP  92  70.076  -1.885 -11.688
  738    HA   ASP  92           HA       ASP  92  71.720  -4.398 -11.770
  739   1HB   ASP  92          HB2       ASP  92  72.002  -2.434 -13.497
  740   2HB   ASP  92          HB1       ASP  92  72.845  -1.654 -12.162
  741    H    ASP  93           HN       ASP  93  70.248  -3.087  -9.512
  742    HA   ASP  93           HA       ASP  93  72.565  -2.357  -7.773
  743   1HB   ASP  93          HB2       ASP  93  70.182  -1.104  -8.218
  744   2HB   ASP  93          HB1       ASP  93  69.777  -2.086  -6.810
  745    H    GLU  94           HN       GLU  94  72.455  -5.058  -8.320
  746    HA   GLU  94           HA       GLU  94  70.972  -6.285  -6.040
  747   1HB   GLU  94          HB2       GLU  94  71.472  -8.396  -7.296
  748   2HB   GLU  94          HB1       GLU  94  70.523  -7.240  -8.212
  749   1HG   GLU  94          HG2       GLU  94  72.097  -7.119  -9.816
  750   2HG   GLU  94          HG1       GLU  94  73.337  -6.734  -8.624
  751    H    LEU  95           HN       LEU  95  72.150  -6.693  -4.261
  752    HA   LEU  95           HA       LEU  95  73.990  -7.190  -2.885
  753   1HB   LEU  95          HB2       LEU  95  73.413  -9.195  -4.241
  754   2HB   LEU  95          HB1       LEU  95  74.628  -8.708  -5.411
  755    HG   LEU  95           HG       LEU  95  76.241  -9.720  -4.184
  756   1HD1  LEU  95          1HD1      LEU  95  75.157  -8.166  -1.822
  757   2HD1  LEU  95          2HD1      LEU  95  76.573  -7.771  -2.791
  758   3HD1  LEU  95          3HD1      LEU  95  76.591  -9.185  -1.749
  759   1HD2  LEU  95          1HD2      LEU  95  75.475 -11.110  -2.196
  760   2HD2  LEU  95          2HD2      LEU  95  74.624 -11.416  -3.710
  761   3HD2  LEU  95          3HD2      LEU  95  73.869 -10.431  -2.456
  762    H    THR  96           HN       THR  96  76.464  -7.904  -5.011
  763    HA   THR  96           HA       THR  96  77.567  -5.125  -4.837
  764    HB   THR  96           HB       THR  96  78.928  -7.815  -4.751
  765    HG1  THR  96           HG1      THR  96  78.567  -7.717  -2.701
  766   1HG2  THR  96          1HG2      THR  96  80.790  -6.200  -3.800
  767   2HG2  THR  96          2HG2      THR  96  79.914  -4.989  -4.736
  768   3HG2  THR  96          3HG2      THR  96  80.594  -6.403  -5.541
  769    H    GLY  97           HN       GLY  97  76.879  -7.805  -6.919
  770   1HA   GLY  97          HA2       GLY  97  78.735  -7.187  -9.022
  771   2HA   GLY  97          HA1       GLY  97  77.241  -8.104  -9.221
  772    H    PHE  98           HN       PHE  98  76.786  -4.999  -7.789
  773    HA   PHE  98           HA       PHE  98  75.180  -4.086 -10.009
  774   1HB   PHE  98          HB2       PHE  98  74.844  -2.163  -8.570
  775   2HB   PHE  98          HB1       PHE  98  74.903  -3.595  -7.546
  776    HD1  PHE  98           HD1      PHE  98  76.878  -0.697  -8.774
  777    HD2  PHE  98           HD2      PHE  98  76.620  -3.877  -5.906
  778    HE1  PHE  98           HE1      PHE  98  78.744   0.314  -7.490
  779    HE2  PHE  98           HE2      PHE  98  78.490  -2.870  -4.621
  780    HZ   PHE  98           HZ       PHE  98  79.547  -0.767  -5.410