*HEADER    METALLOPROTEINASE INHIBITOR             10-JUN-98   1BHU      
*TITLE     THE 3D STRUCTURE OF THE STREPTOMYCES METALLOPROTEINASE        
*TITLE    2 INHIBITOR, SMPI, ISOLATED FROM STREPTOMYCES NIGRESCENS       
*TITLE    3 TK-23, NMR, MINIMIZED AVERAGE STRUCTURE                      
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: METALLOPROTEINASE INHIBITOR;                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: SMPI;                                               
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 BIOLOGICAL_UNIT: MONOMER                                     
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES NIGRESCENS;                
*SOURCE   3 STRAIN: TK-23;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                          
*KEYWDS    METALLOPROTEINASE INHIBITOR, SIGNAL                           
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                              
*AUTHOR    S.TATE,A.OHNO,S.S.SEERAM,K.HIRAGA,K.ODA,M.KAINOSHO            
*REVDAT   1   12-OCT-04 1BHU    0   

! 4d noesy drived constraints are added
! psuedo atom correction has been applied 
! hydrogen bonding & S-S restrains are also in this file
!
! 1997.05.13    Shin-ichi Tate
! residue A1  
assi (resi    1  and name HA   ) (resi    2  and name HD1  ) 3.0 1.2 0.5 
assi (resi    1  and name HA   ) (resi    2  and name HD2  ) 3.0 1.2 0.5 
assi (resi    1  and name HA   ) (resi    2  and name HD#  ) 2.7 1.9 1.2 ! P2    
assi (resi    1  and name HB#  ) (resi   46  and name HN   ) 5.0 4.7 3.5 ! A1    
assi (resi    1  and name HB#  ) (resi    3  and name HN   ) 5.0 4.7 3.5 ! A1    
assi (resi    1  and name HB#  ) (resi   17  and name HN   ) 5.0 4.7 3.5 ! A1    
! residue P2  
assi (resi    2  and name HA   ) (resi    3  and name HN   ) 2.7 0.9 0.2 
assi (resi    2  and name HB1  ) (resi    3  and name HN   ) 4.0 2.2 1.0 
assi (resi    2  and name HB2  ) (resi    3  and name HN   ) 4.0 2.2 1.0 
assi (resi    2  and name HB#  ) (resi    4  and name HN   ) 5.0 4.2 3.0 ! P2    
! residue S3  
assi (resi    3  and name HN   ) (resi    3  and name HB#  ) 4.0 3.2 2.0 ! S3    
assi (resi    3  and name HN   ) (resi    4  and name HA   ) 4.0 2.2 1.0 
assi (resi    3  and name HA   ) (resi    3  and name HB#  ) 2.7 1.9 1.2 ! S3    
assi (resi    3  and name HB#  ) (resi    4  and name HN   ) 4.0 3.2 2.0 ! S3    
assi (resi    3  and name HB#  ) (resi   15  and name HB   ) 4.0 3.2 2.0 ! S3    
assi (resi    3  and name HB#  ) (resi   16  and name HN   ) 4.0 3.2 2.0 ! S3    
assi (resi    3  and name HB#  ) (resi   17  and name HN   ) 5.0 4.2 3.0 ! S3    
assi (resi    3  and name HB#  ) (resi   46  and name HN   ) 5.0 4.2 3.0 ! S3    
assi (resi    3  and name HB#  ) (resi   18  and name HN   ) 5.0 4.2 3.0 ! S3    
! residue C4  
assi (resi    4  and name HN   ) (resi    4  and name HB1  ) 3.0 1.2 0.5 
assi (resi    4  and name HN   ) (resi    4  and name HB2  ) 3.0 1.2 0.5 
assi (resi    4  and name HA   ) (resi    5  and name HD1  ) 3.0 1.2 0.5 
assi (resi    4  and name HA   ) (resi    5  and name HD2  ) 3.0 1.2 0.5 
assi (resi    4  and name HA   ) (resi    5  and name HD#  ) 2.7 1.9 1.2 ! P5    
assi (resi    4  and name HA   ) (resi   12  and name HD#  ) 5.0 5.2 4.0 ! Y12   
assi (resi    4  and name HA   ) (resi   16  and name HN   ) 4.0 2.2 1.0 
assi (resi    4  and name HA   ) (resi   17  and name HN   ) 3.0 1.2 0.5 
assi (resi    4  and name HA   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assi (resi    4  and name HA   ) (resi   45  and name HN   ) 5.0 3.2 2.0 
assi (resi    4  and name HA   ) (resi   46  and name HN   ) 4.0 2.2 1.0 
assi (resi    4  and name HB#  ) (resi   46  and name HN   ) 5.0 4.2 3.0 ! C4    
assi (resi    4  and name HB#  ) (resi   48  and name HN   ) 5.0 4.2 3.0 ! C4    
assi (resi    4  and name HN   ) (resi    4  and name HB#  ) 3.0 2.2 1.5 ! C4    
assi (resi    4  and name HB#  ) (resi   12  and name HE#  ) 4.0 6.2 5.0 ! C4     Y12  
! residue P5  
assi (resi    5  and name HB1  ) (resi    6  and name HN   ) 3.0 1.2 0.5 
assi (resi    5  and name HB2  ) (resi    6  and name HN   ) 3.0 1.2 0.5 
assi (resi    5  and name HB#  ) (resi    7  and name HN   ) 5.0 4.2 3.0 ! P5    
assi (resi    5  and name HG#  ) (resi   10  and name HN   ) 5.0 4.2 3.0 ! P5    
assi (resi    5  and name HG#  ) (resi   16  and name HN   ) 5.0 4.2 3.0 ! P5    
assi (resi    5  and name HD#  ) (resi   46  and name HN   ) 5.0 4.2 3.0 ! P5    
assi (resi    5  and name HG#  ) (resi    8  and name HN   ) 5.0 4.2 3.0 ! P5    
assi (resi    5  and name HD#  ) (resi    6  and name HN   ) 5.0 4.2 3.0 ! P5    
! residue A6  
assi (resi    6  and name HN   ) (resi    6  and name HA   ) 2.7 0.9 0.2 
assi (resi    6  and name HB#  ) (resi    8  and name HN   ) 5.0 4.7 3.5 ! A6    
assi (resi    6  and name HB#  ) (resi   47  and name HA   ) 5.0 4.7 3.5 ! A6    
assi (resi    6  and name HB#  ) (resi   49  and name HA#  ) 5.0 5.7 4.5 ! A6     G49  
assi (resi    6  and name HN   ) (resi   87  and name HB#  ) 5.0 4.2 3.0 ! L87   
assi (resi    6  and name HA   ) (resi   49  and name HN   ) 5.0 3.2 2.0 
! residue G7  
assi (resi    7  and name HN   ) (resi    7  and name HA1  ) 2.7 0.9 0.2 
assi (resi    7  and name HN   ) (resi    7  and name HA2  ) 2.7 0.9 0.2 
assi (resi    7  and name HN   ) (resi    7  and name HA#  ) 2.7 1.9 1.2 ! G7    
assi (resi    7  and name HN   ) (resi    8  and name HN   ) 3.0 1.2 0.5 
assi (resi    7  and name HN   ) (resi    8  and name HB2  ) 4.0 2.2 1.0 
assi (resi    7  and name HN   ) (resi   47  and name HA   ) 4.0 2.2 1.0 
assi (resi    7  and name HN   ) (resi   49  and name HA1  ) 4.0 2.2 1.0 
assi (resi    7  and name HN   ) (resi   49  and name HA2  ) 4.0 2.2 1.0 
assi (resi    7  and name HN   ) (resi   49  and name HA#  ) 4.0 3.2 2.0 ! G49   
assi (resi    7  and name HN   ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assi (resi    7  and name HN   ) (resi   87  and name HB#  ) 5.0 4.2 3.0 ! L87   
assi (resi    7  and name HA1  ) (resi    8  and name HN   ) 3.0 1.2 0.5 
assi (resi    7  and name HA2  ) (resi    8  and name HN   ) 3.0 1.2 0.5 
assi (resi    7  and name HA#  ) (resi   49  and name HN   ) 4.0 3.2 2.0 ! G7    
assi (resi    7  and name HN   ) (resi   50  and name HG2# ) 5.0 4.7 3.5 ! T50   
! residue S8  
assi (resi    8  and name HN   ) (resi    8  and name HB2  ) 4.0 2.2 1.0 
assi (resi    8  and name HN   ) (resi    9  and name HB1  ) 5.0 3.2 2.0 
assi (resi    8  and name HN   ) (resi   23  and name HG2# ) 5.0 4.7 3.5 ! V23   
assi (resi    8  and name HN   ) (resi   25  and name HA   ) 4.0 2.2 1.0 
assi (resi    8  and name HN   ) (resi   49  and name HA1  ) 4.0 2.2 1.0 
assi (resi    8  and name HN   ) (resi   49  and name HA2  ) 4.0 2.2 1.0 
assi (resi    8  and name HN   ) (resi   49  and name HA#  ) 4.0 3.2 2.0 ! G49   
assi (resi    8  and name HA   ) (resi    8  and name HB1  ) 2.7 0.9 0.2 
assi (resi    8  and name HA   ) (resi    8  and name HB2  ) 2.7 0.9 0.2 
assi (resi    8  and name HA   ) (resi    9  and name HN   ) 2.7 0.9 0.2 
assi (resi    8  and name HA   ) (resi    9  and name HB1  ) 4.0 2.2 1.0 
assi (resi    8  and name HA   ) (resi   25  and name HA   ) 2.7 0.9 0.2 
assi (resi    8  and name HA   ) (resi   26  and name HN   ) 3.0 1.2 0.5 
assi (resi    8  and name HA   ) (resi   47  and name HB#  ) 5.0 4.7 3.5 ! A47   
assi (resi    8  and name HA   ) (resi   50  and name HG2# ) 4.0 3.7 2.5 ! T50   
assi (resi    8  and name HB1  ) (resi    9  and name HN   ) 4.0 2.2 1.0 
assi (resi    8  and name HB1  ) (resi    9  and name HA   ) 4.0 2.2 1.0 
assi (resi    8  and name HB1  ) (resi   23  and name HB   ) 4.0 2.2 1.0 
assi (resi    8  and name HB1  ) (resi   23  and name HG1# ) 4.0 3.7 2.5 ! V23   
assi (resi    8  and name HB1  ) (resi   24  and name HN   ) 5.0 3.2 2.0 
assi (resi    8  and name HB1  ) (resi   26  and name HN   ) 5.0 3.2 2.0 
assi (resi    8  and name HB2  ) (resi    9  and name HN   ) 3.0 1.2 0.5 
assi (resi    8  and name HB2  ) (resi   23  and name HB   ) 4.0 2.2 1.0 
assi (resi    8  and name HB2  ) (resi   23  and name HG1# ) 4.0 3.7 2.5 ! V23   
assi (resi    8  and name HB2  ) (resi   24  and name HN   ) 5.0 3.2 2.0 
assi (resi    8  and name HB2  ) (resi   25  and name HA   ) 4.0 2.2 1.0 
assi (resi    8  and name HN   ) (resi    9  and name HN   ) 5.0 3.2 2.0 
! residue L9  
assi (resi    9  and name HN   ) (resi    9  and name HB1  ) 2.7 0.9 0.2 
assi (resi    9  and name HN   ) (resi    9  and name HB2  ) 3.0 1.2 0.5 
assi (resi    9  and name HN   ) (resi    9  and name HG   ) 5.0 3.2 2.0 
assi (resi    9  and name HN   ) (resi    9  and name HD*  ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HN   ) (resi   23  and name HA   ) 4.0 2.2 1.0 
assi (resi    9  and name HN   ) (resi   24  and name HN   ) 3.0 1.2 0.5 
assi (resi    9  and name HN   ) (resi   24  and name HG1# ) 5.0 4.2 3.0 ! I24   
assi (resi    9  and name HN   ) (resi   25  and name HA   ) 4.0 2.2 1.0 
assi (resi    9  and name HN   ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assi (resi    9  and name HN   ) (resi   26  and name HA   ) 4.0 2.2 1.0 
assi (resi    9  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi    9  and name HA   ) (resi    9  and name HB1  ) 2.7 0.9 0.2 
assi (resi    9  and name HA   ) (resi    9  and name HB2  ) 2.7 0.9 0.2 
assi (resi    9  and name HA   ) (resi   10  and name HN   ) 2.7 0.9 0.2 
assi (resi    9  and name HA   ) (resi   11  and name HN   ) 4.0 2.2 1.0 
assi (resi    9  and name HA   ) (resi   47  and name HN   ) 4.0 2.2 1.0 
assi (resi    9  and name HA   ) (resi   48  and name HA   ) 2.7 0.9 0.2 
assi (resi    9  and name HA   ) (resi   49  and name HN   ) 2.7 0.9 0.2 
assi (resi    9  and name HA   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi    9  and name HB1  ) (resi   24  and name HN   ) 3.0 1.2 0.5 
assi (resi    9  and name HB2  ) (resi   24  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HB2  ) (resi   24  and name HB   ) 4.0 2.2 1.0 
assi (resi    9  and name HB2  ) (resi   48  and name HA   ) 4.0 2.2 1.0 
assi (resi    9  and name HG   ) (resi   10  and name HN   ) 4.0 2.2 1.0 
assi (resi    9  and name HG   ) (resi   11  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HG   ) (resi   11  and name HA   ) 4.0 2.2 1.0 
assi (resi    9  and name HG   ) (resi   48  and name HD2# ) 5.0 4.2 3.0 ! N48   
assi (resi    9  and name HD*  ) (resi   10  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   11  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   11  and name HA   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   11  and name HB   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   12  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   24  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   24  and name HB   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   27  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   46  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   46  and name HA   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   46  and name HB1  ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   46  and name HB2  ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   47  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   47  and name HA   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   48  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   48  and name HA   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HD*  ) (resi   49  and name HN   ) 5.0 5.7 4.5 ! L9    
assi (resi    9  and name HN   ) (resi   10  and name HA   ) 5.0 3.2 2.0 
assi (resi    9  and name HN   ) (resi   24  and name HD1# ) 5.0 4.7 3.5 ! I24   
assi (resi    9  and name HN   ) (resi  100  and name HG   ) 5.0 3.2 2.0 
assi (resi    9  and name HA   ) (resi   24  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HB1  ) (resi   11  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HB2  ) (resi   10  and name HN   ) 4.0 2.2 1.0 
assi (resi    9  and name HB2  ) (resi   49  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HB2  ) (resi  100  and name HN   ) 5.0 3.2 2.0 
assi (resi    9  and name HD*  ) (resi   50  and name HN   ) 5.0 5.7 4.5 ! L9    
! residue C10 
assi (resi   10  and name HB#  ) (resi   47  and name HB#  ) 5.0 5.7 4.5 ! C10    A47  
assi (resi   10  and name HN   ) (resi   10  and name HB1  ) 4.0 2.2 1.0 
assi (resi   10  and name HN   ) (resi   10  and name HB2  ) 4.0 2.2 1.0 
assi (resi   10  and name HN   ) (resi   11  and name HG2# ) 5.0 4.7 3.5 ! T11   
assi (resi   10  and name HN   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assi (resi   10  and name HN   ) (resi   46  and name HB1  ) 5.0 3.2 2.0 
assi (resi   10  and name HN   ) (resi   47  and name HN   ) 4.0 2.2 1.0 
assi (resi   10  and name HN   ) (resi   47  and name HB#  ) 5.0 4.7 3.5 ! A47   
assi (resi   10  and name HN   ) (resi   48  and name HA   ) 4.0 2.2 1.0 
assi (resi   10  and name HN   ) (resi   49  and name HN   ) 4.0 2.2 1.0 
assi (resi   10  and name HA   ) (resi   10  and name HB#  ) 2.7 1.9 1.2 ! C10   
assi (resi   10  and name HA   ) (resi   11  and name HN   ) 2.7 0.9 0.2 
assi (resi   10  and name HA   ) (resi   12  and name HD#  ) 4.0 4.2 3.0 ! Y12   
assi (resi   10  and name HA   ) (resi   12  and name HE#  ) 4.0 5.2 4.0 ! Y12   
assi (resi   10  and name HA   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assi (resi   10  and name HA   ) (resi   23  and name HA   ) 2.7 0.9 0.2 
assi (resi   10  and name HA   ) (resi   23  and name HG1# ) 5.0 4.7 3.5 ! V23   
assi (resi   10  and name HA   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assi (resi   10  and name HA   ) (resi   24  and name HG1# ) 5.0 4.2 3.0 ! I24   
assi (resi   10  and name HA   ) (resi   46  and name HB1  ) 4.0 2.2 1.0 
assi (resi   10  and name HB1  ) (resi   17  and name HG   ) 4.0 2.2 1.0 
assi (resi   10  and name HB#  ) (resi   11  and name HN   ) 4.0 3.2 2.0 ! C10   
assi (resi   10  and name HB2  ) (resi   17  and name HG   ) 4.0 2.2 1.0 
assi (resi   10  and name HB#  ) (resi   46  and name HB1  ) 4.0 3.2 2.0 ! C10   
assi (resi   10  and name HB#  ) (resi   17  and name HB2  ) 4.0 3.2 2.0 ! C10   
assi (resi   10  and name HB#  ) (resi   47  and name HN   ) 5.0 4.2 3.0 ! C10   
! residue T11 
assi (resi   11  and name HN   ) (resi   12  and name HN   ) 4.0 2.2 1.0 
assi (resi   11  and name HN   ) (resi   22  and name HB   ) 5.0 3.2 2.0 
assi (resi   11  and name HN   ) (resi   23  and name HA   ) 4.0 2.2 1.0 
assi (resi   11  and name HN   ) (resi   23  and name HG1# ) 5.0 4.7 3.5 ! V23   
assi (resi   11  and name HN   ) (resi   46  and name HB2  ) 5.0 3.2 2.0 
assi (resi   11  and name HA   ) (resi   11  and name HB   ) 2.7 0.9 0.2 
assi (resi   11  and name HA   ) (resi   12  and name HN   ) 2.7 0.9 0.2 
assi (resi   11  and name HA   ) (resi   12  and name HD#  ) 5.0 5.2 4.0 ! Y12   
assi (resi   11  and name HA   ) (resi   46  and name HN   ) 4.0 2.2 1.0 
assi (resi   11  and name HA   ) (resi   46  and name HA   ) 2.7 0.9 0.2 
assi (resi   11  and name HA   ) (resi   46  and name HB1  ) 3.0 1.2 0.5 
assi (resi   11  and name HA   ) (resi   46  and name HB2  ) 3.0 1.2 0.5 
assi (resi   11  and name HA   ) (resi   47  and name HN   ) 4.0 2.2 1.0 
assi (resi   11  and name HB   ) (resi   12  and name HN   ) 3.0 1.2 0.5 
assi (resi   11  and name HB   ) (resi   22  and name HB   ) 4.0 2.2 1.0 
assi (resi   11  and name HB   ) (resi   24  and name HN   ) 5.0 3.2 2.0 
assi (resi   11  and name HB   ) (resi   46  and name HA   ) 4.0 2.2 1.0 
assi (resi   11  and name HB   ) (resi   46  and name HB2  ) 4.0 2.2 1.0 
assi (resi   11  and name HG2# ) (resi   12  and name HN   ) 5.0 4.7 3.5 ! T11   
assi (resi   11  and name HG2# ) (resi   46  and name HN   ) 5.0 4.7 3.5 ! T11   
assi (resi   11  and name HG2# ) (resi   46  and name HA   ) 5.0 4.7 3.5 ! T11   
assi (resi   11  and name HG2# ) (resi   46  and name HB1  ) 4.0 3.7 2.5 ! T11   
assi (resi   11  and name HG2# ) (resi   46  and name HB2  ) 5.0 4.7 3.5 ! T11   
assi (resi   11  and name HG2# ) (resi   47  and name HN   ) 5.0 4.7 3.5 ! T11   
assi (resi   11  and name HN   ) (resi   24  and name HA   ) 5.0 3.2 2.0 
assi (resi   11  and name HN   ) (resi   46  and name HB1  ) 5.0 3.2 2.0 
assi (resi   11  and name HA   ) (resi   22  and name HN   ) 5.0 3.2 2.0 
assi (resi   11  and name HA   ) (resi   45  and name HN   ) 5.0 3.2 2.0 
assi (resi   11  and name HG2# ) (resi   45  and name HN   ) 5.0 4.7 3.5 ! T11   
! residue Y12 
assi (resi   12  and name HD#  ) (resi   46  and name HB2  ) 4.0 4.2 3.0 ! Y12   
assi (resi   12  and name HB2  ) (resi   12  and name HD#  ) 4.0 4.2 3.0 ! Y12   
assi (resi   12  and name HE#  ) (resi   17  and name HA   ) 5.0 6.2 5.0 ! Y12   
assi (resi   12  and name HN   ) (resi   12  and name HB1  ) 3.0 1.2 0.5 
assi (resi   12  and name HN   ) (resi   12  and name HB2  ) 4.0 2.2 1.0 
assi (resi   12  and name HN   ) (resi   12  and name HE#  ) 5.0 6.2 5.0 ! Y12   
assi (resi   12  and name HN   ) (resi   44  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HN   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! R44   
assi (resi   12  and name HN   ) (resi   45  and name HN   ) 2.7 0.9 0.2 
assi (resi   12  and name HN   ) (resi   46  and name HA   ) 4.0 2.2 1.0 
assi (resi   12  and name HN   ) (resi   46  and name HB1  ) 5.0 3.2 2.0 
assi (resi   12  and name HN   ) (resi   46  and name HB2  ) 5.0 3.2 2.0 
assi (resi   12  and name HA   ) (resi   12  and name HB2  ) 2.7 0.9 0.2 
assi (resi   12  and name HA   ) (resi   13  and name HN   ) 2.7 0.9 0.2 
assi (resi   12  and name HA   ) (resi   13  and name HB1  ) 4.0 2.2 1.0 
assi (resi   12  and name HA   ) (resi   14  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HA   ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HA   ) (resi   21  and name HA   ) 2.7 0.9 0.2 
assi (resi   12  and name HA   ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HA   ) (resi   22  and name HG2# ) 5.0 4.7 3.5 ! T22   
assi (resi   12  and name HB1  ) (resi   13  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HB1  ) (resi   14  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HB1  ) (resi   17  and name HN   ) 5.0 3.2 2.0 
assi (resi   12  and name HB1  ) (resi   17  and name HA   ) 4.0 2.2 1.0 
assi (resi   12  and name HB1  ) (resi   17  and name HD2# ) 5.0 4.7 3.5 ! L17   
assi (resi   12  and name HB1  ) (resi   18  and name HN   ) 5.0 3.2 2.0 
assi (resi   12  and name HB2  ) (resi   13  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HB2  ) (resi   17  and name HN   ) 5.0 3.2 2.0 
assi (resi   12  and name HB2  ) (resi   17  and name HA   ) 4.0 2.2 1.0 
assi (resi   12  and name HB2  ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assi (resi   12  and name HD#  ) (resi   17  and name HA   ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   17  and name HB1  ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   17  and name HB2  ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   17  and name HD1# ) 5.0 6.7 5.5 ! Y12    L17  
assi (resi   12  and name HD#  ) (resi   21  and name HA   ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   21  and name HD#  ) 5.0 6.2 5.0 ! Y12    R21  
assi (resi   12  and name HE#  ) (resi   13  and name HN   ) 5.0 6.2 5.0 ! Y12   
assi (resi   12  and name HE#  ) (resi   17  and name HB2  ) 4.0 5.2 4.0 ! Y12   
assi (resi   12  and name HE#  ) (resi   17  and name HG   ) 4.0 5.2 4.0 ! Y12   
assi (resi   12  and name HE#  ) (resi   17  and name HD1# ) 5.0 7.7 6.5 ! Y12    L17  
assi (resi   12  and name HE#  ) (resi   17  and name HD2# ) 5.0 7.7 6.5 ! Y12    L17  
assi (resi   12  and name HE#  ) (resi   46  and name HA   ) 5.0 6.2 5.0 ! Y12   
assi (resi   12  and name HN   ) (resi   13  and name HA   ) 5.0 3.2 2.0 
assi (resi   12  and name HN   ) (resi   45  and name HB#  ) 5.0 4.2 3.0 ! S45   
assi (resi   12  and name HA   ) (resi   21  and name HN   ) 5.0 3.2 2.0 
assi (resi   12  and name HD#  ) (resi   14  and name HN   ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   17  and name HN   ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   20  and name HN   ) 5.0 5.2 4.0 ! Y12   
assi (resi   12  and name HD#  ) (resi   45  and name HN   ) 5.0 5.2 4.0 ! Y12   
! residue S13 
assi (resi   13  and name HN   ) (resi   13  and name HB1  ) 4.0 2.2 1.0 
assi (resi   13  and name HN   ) (resi   13  and name HB2  ) 3.0 1.2 0.5 
assi (resi   13  and name HN   ) (resi   14  and name HN   ) 3.0 1.2 0.5 
assi (resi   13  and name HN   ) (resi   19  and name HA1  ) 4.0 2.2 1.0 
assi (resi   13  and name HN   ) (resi   19  and name HA2  ) 4.0 2.2 1.0 
assi (resi   13  and name HN   ) (resi   19  and name HA#  ) 4.0 3.2 2.0 ! G19   
assi (resi   13  and name HN   ) (resi   20  and name HN   ) 2.7 0.9 0.2 
assi (resi   13  and name HN   ) (resi   20  and name HB#  ) 5.0 4.7 3.5 ! A20   
assi (resi   13  and name HA   ) (resi   13  and name HB1  ) 2.7 0.9 0.2 
assi (resi   13  and name HA   ) (resi   13  and name HB2  ) 2.7 0.9 0.2 
assi (resi   13  and name HA   ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assi (resi   13  and name HA   ) (resi   44  and name HN   ) 4.0 2.2 1.0 
assi (resi   13  and name HB1  ) (resi   20  and name HB#  ) 5.0 4.7 3.5 ! A20   
assi (resi   13  and name HB2  ) (resi   14  and name HN   ) 4.0 2.2 1.0 
assi (resi   13  and name HB2  ) (resi   20  and name HN   ) 4.0 2.2 1.0 
assi (resi   13  and name HB2  ) (resi   20  and name HB#  ) 4.0 3.7 2.5 ! A20   
assi (resi   13  and name HN   ) (resi   21  and name HA   ) 5.0 3.2 2.0 
assi (resi   13  and name HA   ) (resi   15  and name HN   ) 5.0 3.2 2.0 
! residue G14 
assi (resi   14  and name HN   ) (resi   15  and name HA   ) 4.0 2.2 1.0 
assi (resi   14  and name HN   ) (resi   43  and name HA   ) 4.0 2.2 1.0 
assi (resi   14  and name HN   ) (resi   44  and name HB1  ) 5.0 3.2 2.0 
assi (resi   14  and name HA#  ) (resi   15  and name HN   ) 3.0 2.2 1.5 ! G14   
assi (resi   14  and name HA#  ) (resi   15  and name HG2# ) 5.0 5.7 4.5 ! G14    T15  
assi (resi   14  and name HA#  ) (resi   19  and name HN   ) 5.0 4.2 3.0 ! G14   
assi (resi   14  and name HA#  ) (resi   20  and name HN   ) 4.0 3.2 2.0 ! G14   
assi (resi   14  and name HA1  ) (resi   15  and name HN   ) 3.0 1.2 0.5 
assi (resi   14  and name HA2  ) (resi   15  and name HN   ) 3.0 1.2 0.5 
assi (resi   14  and name HN   ) (resi   17  and name HA   ) 5.0 3.2 2.0 
assi (resi   14  and name HN   ) (resi   18  and name HN   ) 5.0 3.2 2.0 
assi (resi   14  and name HN   ) (resi   43  and name HB#  ) 5.0 4.7 3.5 ! A43   
assi (resi   14  and name HA#  ) (resi   16  and name HN   ) 5.0 4.2 3.0 ! G14   
! residue T15 
assi (resi   15  and name HN   ) (resi   16  and name HN   ) 4.0 2.2 1.0 
assi (resi   15  and name HN   ) (resi   16  and name HA#  ) 5.0 4.2 3.0 ! G16   
assi (resi   15  and name HN   ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assi (resi   15  and name HN   ) (resi   43  and name HB#  ) 4.0 3.7 2.5 ! A43   
assi (resi   15  and name HN   ) (resi   44  and name HB2  ) 5.0 3.2 2.0 
assi (resi   15  and name HN   ) (resi   44  and name HD#  ) 5.0 4.2 3.0 ! R44   
assi (resi   15  and name HA   ) (resi   15  and name HB   ) 2.7 0.9 0.2 
assi (resi   15  and name HA   ) (resi   16  and name HN   ) 3.0 1.2 0.5 
assi (resi   15  and name HA   ) (resi   17  and name HN   ) 3.0 1.2 0.5 
assi (resi   15  and name HB   ) (resi   16  and name HN   ) 4.0 2.2 1.0 
assi (resi   15  and name HN   ) (resi   44  and name HG#  ) 5.0 4.2 3.0 ! R44   
assi (resi   15  and name HA   ) (resi   18  and name HN   ) 5.0 3.2 2.0 
assi (resi   15  and name HA   ) (resi   44  and name HN   ) 5.0 3.2 2.0 
! residue G16 
assi (resi   16  and name HN   ) (resi   17  and name HN   ) 4.0 2.2 1.0 
assi (resi   16  and name HN   ) (resi   17  and name HB2  ) 4.0 2.2 1.0 
assi (resi   16  and name HN   ) (resi   43  and name HB#  ) 5.0 4.7 3.5 ! A43   
assi (resi   16  and name HN   ) (resi   17  and name HA   ) 5.0 3.2 2.0 
assi (resi   16  and name HN   ) (resi   17  and name HG   ) 5.0 3.2 2.0 
assi (resi   16  and name HN   ) (resi   18  and name HN   ) 5.0 3.2 2.0 
assi (resi   16  and name HN   ) (resi   45  and name HB#  ) 5.0 4.2 3.0 ! S45   
! residue L17 
assi (resi   17  and name HN   ) (resi   17  and name HA   ) 2.7 0.9 0.2 
assi (resi   17  and name HN   ) (resi   17  and name HB1  ) 4.0 2.2 1.0 
assi (resi   17  and name HN   ) (resi   17  and name HB2  ) 4.0 2.2 1.0 
assi (resi   17  and name HN   ) (resi   17  and name HG   ) 4.0 2.2 1.0 
assi (resi   17  and name HN   ) (resi   17  and name HD1# ) 5.0 4.7 3.5 ! L17   
assi (resi   17  and name HN   ) (resi   18  and name HN   ) 3.0 1.2 0.5 
assi (resi   17  and name HN   ) (resi   45  and name HB#  ) 5.0 4.2 3.0 ! S45   
assi (resi   17  and name HA   ) (resi   17  and name HB1  ) 2.7 0.9 0.2 
assi (resi   17  and name HA   ) (resi   17  and name HD2# ) 4.0 3.7 2.5 ! L17   
assi (resi   17  and name HA   ) (resi   18  and name HN   ) 3.0 1.2 0.5 
assi (resi   17  and name HB1  ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assi (resi   17  and name HB1  ) (resi   46  and name HN   ) 5.0 3.2 2.0 
assi (resi   17  and name HB2  ) (resi   18  and name HN   ) 4.0 2.2 1.0 
assi (resi   17  and name HD1# ) (resi   46  and name HN   ) 5.0 4.7 3.5 ! L17   
assi (resi   17  and name HD2# ) (resi   18  and name HN   ) 5.0 4.7 3.5 ! L17   
assi (resi   17  and name HD1# ) (resi   18  and name HN   ) 5.0 4.7 3.5 ! L17   
! residue S18 
assi (resi   18  and name HN   ) (resi   18  and name HB1  ) 4.0 2.2 1.0 
assi (resi   18  and name HN   ) (resi   18  and name HB2  ) 4.0 2.2 1.0 
assi (resi   18  and name HN   ) (resi   18  and name HB#  ) 4.0 3.2 2.0 ! S18   
assi (resi   18  and name HN   ) (resi   19  and name HN   ) 4.0 2.2 1.0 
assi (resi   18  and name HA   ) (resi   18  and name HB1  ) 2.7 0.9 0.2 
assi (resi   18  and name HA   ) (resi   18  and name HB2  ) 2.7 0.9 0.2 
assi (resi   18  and name HA   ) (resi   19  and name HN   ) 2.7 0.9 0.2 
assi (resi   18  and name HB#  ) (resi   19  and name HN   ) 4.0 3.2 2.0 ! S18   
! residue G19 
assi (resi   19  and name HN   ) (resi   20  and name HB#  ) 5.0 4.7 3.5 ! A20   
assi (resi   19  and name HA1  ) (resi   20  and name HN   ) 3.0 1.2 0.5 
assi (resi   19  and name HA2  ) (resi   20  and name HN   ) 3.0 1.2 0.5 
assi (resi   19  and name HA#  ) (resi   20  and name HN   ) 3.0 2.2 1.5 ! G19   
assi (resi   19  and name HN   ) (resi   20  and name HA   ) 5.0 3.2 2.0 
! residue A20 
assi (resi   20  and name HN   ) (resi   21  and name HN   ) 4.0 2.2 1.0 
assi (resi   20  and name HA   ) (resi   21  and name HN   ) 2.7 0.9 0.2 
assi (resi   20  and name HB#  ) (resi   21  and name HA   ) 5.0 4.7 3.5 ! A20   
! residue R21 
assi (resi   21  and name HN   ) (resi   21  and name HB1  ) 3.0 1.2 0.5 
assi (resi   21  and name HN   ) (resi   21  and name HB2  ) 4.0 2.2 1.0 
assi (resi   21  and name HN   ) (resi   21  and name HG#  ) 5.0 4.2 3.0 ! R21   
assi (resi   21  and name HA   ) (resi   21  and name HB2  ) 2.7 0.9 0.2 
assi (resi   21  and name HA   ) (resi   22  and name HN   ) 2.7 0.9 0.2 
assi (resi   21  and name HB1  ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assi (resi   21  and name HB2  ) (resi   22  and name HN   ) 4.0 2.2 1.0 
assi (resi   21  and name HD#  ) (resi   23  and name HN   ) 5.0 4.2 3.0 ! R21   
assi (resi   21  and name HN   ) (resi   21  and name HD#  ) 5.0 4.2 3.0 ! R21   
assi (resi   21  and name HD#  ) (resi   22  and name HN   ) 5.0 4.2 3.0 ! R21   
! residue T22 
assi (resi   22  and name HN   ) (resi   22  and name HB   ) 3.0 1.2 0.5 
assi (resi   22  and name HN   ) (resi   23  and name HG2# ) 5.0 4.7 3.5 ! V23   
assi (resi   22  and name HA   ) (resi   22  and name HB   ) 2.7 0.9 0.2 
assi (resi   22  and name HA   ) (resi   23  and name HN   ) 2.7 0.9 0.2 
assi (resi   22  and name HA   ) (resi   23  and name HG2# ) 5.0 4.7 3.5 ! V23   
assi (resi   22  and name HB   ) (resi   23  and name HN   ) 3.0 1.2 0.5 
assi (resi   22  and name HG2# ) (resi   23  and name HN   ) 5.0 4.7 3.5 ! T22   
! residue V23 
assi (resi   23  and name HN   ) (resi   23  and name HB   ) 2.7 0.9 0.2 
assi (resi   23  and name HN   ) (resi   23  and name HG2# ) 4.0 3.7 2.5 ! V23   
assi (resi   23  and name HN   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assi (resi   23  and name HA   ) (resi   24  and name HN   ) 2.7 0.9 0.2 
assi (resi   23  and name HA   ) (resi   24  and name HG1# ) 5.0 4.2 3.0 ! I24   
assi (resi   23  and name HB   ) (resi   24  and name HN   ) 4.0 2.2 1.0 
assi (resi   23  and name HB   ) (resi   24  and name HA   ) 3.0 1.2 0.5 
assi (resi   23  and name HG1# ) (resi   24  and name HN   ) 5.0 4.7 3.5 ! V23   
assi (resi   23  and name HG2# ) (resi   24  and name HA   ) 5.0 4.7 3.5 ! V23   
! residue I24 
assi (resi   24  and name HN   ) (resi   24  and name HG1# ) 5.0 4.2 3.0 ! I24   
assi (resi   24  and name HN   ) (resi   24  and name HD1# ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HA   ) (resi   25  and name HD1  ) 3.0 1.2 0.5 
assi (resi   24  and name HA   ) (resi   25  and name HD2  ) 3.0 1.2 0.5 
assi (resi   24  and name HB   ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assi (resi   24  and name HB   ) (resi   28  and name HN   ) 4.0 2.2 1.0 
assi (resi   24  and name HB   ) (resi  100  and name HB1  ) 4.0 2.2 1.0 
assi (resi   24  and name HB   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   24  and name HG2# ) (resi   27  and name HN   ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HG2# ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HG2# ) (resi   28  and name HB1  ) 4.0 3.7 2.5 ! I24   
assi (resi   24  and name HG2# ) (resi   28  and name HB2  ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HG2# ) (resi   29  and name HN   ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HD1# ) (resi   28  and name HB1  ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HD1# ) (resi   28  and name HB2  ) 5.0 4.7 3.5 ! I24   
assi (resi   24  and name HN   ) (resi   25  and name HD#  ) 5.0 4.2 3.0 ! P25   
assi (resi   24  and name HB   ) (resi   47  and name HN   ) 5.0 3.2 2.0 
! residue P25 
assi (resi   25  and name HB1  ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assi (resi   25  and name HB2  ) (resi   26  and name HN   ) 4.0 2.2 1.0 
assi (resi   25  and name HB#  ) (resi   26  and name HN   ) 3.0 2.2 1.5 ! P25   
assi (resi   25  and name HG#  ) (resi   28  and name HN   ) 5.0 4.2 3.0 ! P25   
assi (resi   25  and name HD#  ) (resi   27  and name HN   ) 5.0 4.2 3.0 ! P25   
assi (resi   25  and name HD#  ) (resi   28  and name HN   ) 5.0 4.2 3.0 ! P25   
! residue A26 
assi (resi   26  and name HN   ) (resi   28  and name HN   ) 4.0 2.2 1.0 
assi (resi   26  and name HN   ) (resi   50  and name HG2# ) 5.0 4.7 3.5 ! T50   
assi (resi   26  and name HA   ) (resi   27  and name HN   ) 2.7 0.9 0.2 
assi (resi   26  and name HA   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assi (resi   26  and name HA   ) (resi   29  and name HB1  ) 3.0 1.2 0.5 
assi (resi   26  and name HA   ) (resi   29  and name HB2  ) 2.7 0.9 0.2 
assi (resi   26  and name HA   ) (resi   30  and name HB#  ) 4.0 3.2 2.0 ! E30   
assi (resi   26  and name HA   ) (resi  100  and name HA   ) 3.0 1.2 0.5 
assi (resi   26  and name HA   ) (resi  100  and name HD2# ) 4.0 3.7 2.5 ! L100  
assi (resi   26  and name HB#  ) (resi   27  and name HA   ) 4.0 3.7 2.5 ! A26   
assi (resi   26  and name HB#  ) (resi   28  and name HN   ) 5.0 4.7 3.5 ! A26   
assi (resi   26  and name HB#  ) (resi   50  and name HN   ) 5.0 4.7 3.5 ! A26   
assi (resi   26  and name HA   ) (resi  101  and name HN   ) 5.0 3.2 2.0 
! residue S27 
assi (resi   27  and name HN   ) (resi   27  and name HA   ) 2.7 0.9 0.2 
assi (resi   27  and name HN   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assi (resi   27  and name HN   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assi (resi   27  and name HN   ) (resi   29  and name HB1  ) 3.0 1.2 0.5 
assi (resi   27  and name HN   ) (resi   29  and name HB2  ) 4.0 2.2 1.0 
assi (resi   27  and name HN   ) (resi   30  and name HN   ) 3.0 1.2 0.5 
assi (resi   27  and name HN   ) (resi   30  and name HB#  ) 4.0 3.2 2.0 ! E30   
assi (resi   27  and name HN   ) (resi  100  and name HB1  ) 5.0 3.2 2.0 
assi (resi   27  and name HA   ) (resi   27  and name HB#  ) 2.7 1.9 1.2 ! S27   
assi (resi   27  and name HA   ) (resi   28  and name HN   ) 3.0 1.2 0.5 
assi (resi   27  and name HA   ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assi (resi   27  and name HA   ) (resi   30  and name HN   ) 3.0 1.2 0.5 
assi (resi   27  and name HA   ) (resi   30  and name HB#  ) 4.0 3.2 2.0 ! E30   
assi (resi   27  and name HA   ) (resi   30  and name HG#  ) 5.0 4.2 3.0 ! E30   
assi (resi   27  and name HA   ) (resi   31  and name HN   ) 4.0 2.2 1.0 
assi (resi   27  and name HB#  ) (resi   28  and name HN   ) 4.0 3.2 2.0 ! S27   
! residue D28 
assi (resi   28  and name HN   ) (resi   28  and name HB1  ) 2.7 0.9 0.2 
assi (resi   28  and name HN   ) (resi   28  and name HB2  ) 2.7 0.9 0.2 
assi (resi   28  and name HN   ) (resi   29  and name HN   ) 2.7 0.9 0.2 
assi (resi   28  and name HN   ) (resi   29  and name HA   ) 4.0 2.2 1.0 
assi (resi   28  and name HN   ) (resi   29  and name HB1  ) 4.0 2.2 1.0 
assi (resi   28  and name HN   ) (resi   29  and name HB2  ) 3.0 1.2 0.5 
assi (resi   28  and name HN   ) (resi   30  and name HN   ) 4.0 2.2 1.0 
assi (resi   28  and name HN   ) (resi   31  and name HB#  ) 5.0 4.2 3.0 ! K31   
assi (resi   28  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   28  and name HA   ) (resi   28  and name HB2  ) 2.7 0.9 0.2 
assi (resi   28  and name HA   ) (resi   30  and name HN   ) 4.0 2.2 1.0 
assi (resi   28  and name HA   ) (resi   31  and name HN   ) 3.0 1.2 0.5 
assi (resi   28  and name HA   ) (resi   31  and name HB#  ) 4.0 3.2 2.0 ! K31   
assi (resi   28  and name HA   ) (resi   31  and name HD#  ) 5.0 4.2 3.0 ! K31   
assi (resi   28  and name HA   ) (resi   32  and name HN   ) 4.0 2.2 1.0 
assi (resi   28  and name HB1  ) (resi   29  and name HN   ) 4.0 2.2 1.0 
assi (resi   28  and name HB1  ) (resi   30  and name HN   ) 5.0 3.2 2.0 
! residue M29 
assi (resi   29  and name HN   ) (resi   29  and name HB1  ) 2.7 0.9 0.2 
assi (resi   29  and name HN   ) (resi   29  and name HB2  ) 3.0 1.2 0.5 
assi (resi   29  and name HN   ) (resi   30  and name HN   ) 2.7 0.9 0.2 
assi (resi   29  and name HN   ) (resi   30  and name HB#  ) 5.0 4.2 3.0 ! E30   
assi (resi   29  and name HN   ) (resi   31  and name HN   ) 4.0 2.2 1.0 
assi (resi   29  and name HN   ) (resi  100  and name HB1  ) 5.0 3.2 2.0 
assi (resi   29  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   29  and name HA   ) (resi   29  and name HB1  ) 2.7 0.9 0.2 
assi (resi   29  and name HA   ) (resi   29  and name HB2  ) 2.7 0.9 0.2 
assi (resi   29  and name HA   ) (resi   31  and name HN   ) 4.0 2.2 1.0 
assi (resi   29  and name HA   ) (resi   32  and name HB#  ) 4.0 3.7 2.5 ! A32   
assi (resi   29  and name HA   ) (resi   33  and name HN   ) 2.7 0.9 0.2 
assi (resi   29  and name HA   ) (resi  100  and name HB2  ) 4.0 2.2 1.0 
assi (resi   29  and name HA   ) (resi  100  and name HD1# ) 4.0 3.7 2.5 ! L100  
assi (resi   29  and name HB1  ) (resi   30  and name HN   ) 2.7 0.9 0.2 
assi (resi   29  and name HB1  ) (resi   99  and name HA   ) 4.0 2.2 1.0 
assi (resi   29  and name HB1  ) (resi  100  and name HN   ) 5.0 3.2 2.0 
assi (resi   29  and name HB2  ) (resi   30  and name HN   ) 3.0 1.2 0.5 
assi (resi   29  and name HB2  ) (resi   52  and name HA   ) 5.0 3.2 2.0 
assi (resi   29  and name HG#  ) (resi   98  and name HN   ) 5.0 4.2 3.0 ! M29   
assi (resi   29  and name HB1  ) (resi   32  and name HN   ) 5.0 3.2 2.0 
! residue E30 
assi (resi   30  and name HN   ) (resi   30  and name HB#  ) 4.0 3.2 2.0 ! E30   
assi (resi   30  and name HN   ) (resi   31  and name HN   ) 2.7 0.9 0.2 
assi (resi   30  and name HN   ) (resi   31  and name HG#  ) 5.0 4.2 3.0 ! K31   
assi (resi   30  and name HN   ) (resi   32  and name HN   ) 3.0 1.2 0.5 
assi (resi   30  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   30  and name HA   ) (resi   31  and name HN   ) 2.7 0.9 0.2 
assi (resi   30  and name HA   ) (resi   33  and name HN   ) 4.0 2.2 1.0 
assi (resi   30  and name HA   ) (resi  102  and name HB#  ) 4.0 3.2 2.0 ! D102  
assi (resi   30  and name HB#  ) (resi   31  and name HN   ) 4.0 3.2 2.0 ! E30   
assi (resi   30  and name HB#  ) (resi   31  and name HG#  ) 5.0 5.2 4.0 ! E30    K31  
assi (resi   30  and name HB#  ) (resi   32  and name HN   ) 5.0 4.2 3.0 ! E30   
assi (resi   30  and name HG#  ) (resi   31  and name HN   ) 5.0 4.2 3.0 ! E30   
assi (resi   30  and name HB#  ) (resi   33  and name HN   ) 5.0 4.2 3.0 ! E30   
! residue K31 
assi (resi   31  and name HN   ) (resi   31  and name HA   ) 2.7 0.9 0.2 
assi (resi   31  and name HN   ) (resi   31  and name HB#  ) 4.0 3.2 2.0 ! K31   
assi (resi   31  and name HN   ) (resi   31  and name HG1  ) 5.0 3.2 2.0 
assi (resi   31  and name HN   ) (resi   31  and name HG2  ) 5.0 3.2 2.0 
assi (resi   31  and name HN   ) (resi   31  and name HG#  ) 4.0 3.2 2.0 ! K31   
assi (resi   31  and name HN   ) (resi   31  and name HD#  ) 5.0 4.2 3.0 ! K31   
assi (resi   31  and name HN   ) (resi   32  and name HN   ) 3.0 1.2 0.5 
assi (resi   31  and name HN   ) (resi   33  and name HN   ) 3.0 1.2 0.5 
assi (resi   31  and name HA   ) (resi   32  and name HN   ) 3.0 1.2 0.5 
assi (resi   31  and name HB#  ) (resi   32  and name HN   ) 4.0 3.2 2.0 ! K31   
assi (resi   31  and name HB#  ) (resi   33  and name HN   ) 5.0 4.2 3.0 ! K31   
assi (resi   31  and name HG#  ) (resi   32  and name HN   ) 5.0 4.2 3.0 ! K31   
assi (resi   31  and name HD#  ) (resi   32  and name HN   ) 5.0 4.2 3.0 ! K31   
! residue A32 
assi (resi   32  and name HA   ) (resi   33  and name HN   ) 3.0 1.2 0.5 
assi (resi   32  and name HA   ) (resi   35  and name HN   ) 4.0 2.2 1.0 
assi (resi   32  and name HB#  ) (resi   34  and name HN   ) 5.0 4.7 3.5 ! A32   
assi (resi   32  and name HB#  ) (resi   35  and name HN   ) 5.0 4.7 3.5 ! A32   
assi (resi   32  and name HB#  ) (resi   35  and name HA   ) 4.0 3.7 2.5 ! A32   
assi (resi   32  and name HB#  ) (resi   35  and name HB1  ) 5.0 4.7 3.5 ! A32   
assi (resi   32  and name HB#  ) (resi   35  and name HB2  ) 4.0 3.7 2.5 ! A32   
assi (resi   32  and name HB#  ) (resi   36  and name HN   ) 4.0 3.7 2.5 ! A32   
assi (resi   32  and name HN   ) (resi   35  and name HA   ) 5.0 3.2 2.0 
! residue G33 
assi (resi   33  and name HN   ) (resi   34  and name HN   ) 4.0 2.2 1.0 
assi (resi   33  and name HN   ) (resi   36  and name HN   ) 5.0 3.2 2.0 
assi (resi   33  and name HN   ) (resi   36  and name HA#  ) 5.0 4.2 3.0 ! G36   
assi (resi   33  and name HN   ) (resi   98  and name HB2  ) 5.0 3.2 2.0 
assi (resi   33  and name HA1  ) (resi   34  and name HN   ) 3.0 1.2 0.5 
assi (resi   33  and name HA2  ) (resi   34  and name HN   ) 3.0 1.2 0.5 
assi (resi   33  and name HA#  ) (resi   34  and name HN   ) 2.7 1.9 1.2 ! G33   
assi (resi   33  and name HA#  ) (resi   35  and name HN   ) 5.0 4.2 3.0 ! G33   
assi (resi   33  and name HA#  ) (resi   99  and name HN   ) 5.0 4.2 3.0 ! G33   
assi (resi   33  and name HN   ) (resi   35  and name HA   ) 4.0 2.2 1.0 
assi (resi   33  and name HN   ) (resi   34  and name HG2# ) 5.0 4.7 3.5 ! T34   
assi (resi   33  and name HN   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
! residue T34 
assi (resi   34  and name HN   ) (resi   35  and name HN   ) 3.0 1.2 0.5 
assi (resi   34  and name HN   ) (resi   36  and name HN   ) 4.0 2.2 1.0 
assi (resi   34  and name HN   ) (resi   37  and name HG2# ) 4.0 3.7 2.5 ! V37   
assi (resi   34  and name HA   ) (resi   34  and name HB   ) 2.7 0.9 0.2 
assi (resi   34  and name HA   ) (resi   99  and name HA   ) 2.7 0.9 0.2 
assi (resi   34  and name HA   ) (resi  100  and name HN   ) 3.0 1.2 0.5 
assi (resi   34  and name HB   ) (resi   35  and name HN   ) 4.0 2.2 1.0 
assi (resi   34  and name HB   ) (resi   36  and name HN   ) 4.0 2.2 1.0 
assi (resi   34  and name HG2# ) (resi   39  and name HN   ) 5.0 4.7 3.5 ! T34   
assi (resi   34  and name HN   ) (resi   35  and name HB1  ) 5.0 3.2 2.0 
! residue D35 
assi (resi   35  and name HN   ) (resi   35  and name HB1  ) 3.0 1.2 0.5 
assi (resi   35  and name HN   ) (resi   35  and name HB2  ) 4.0 2.2 1.0 
assi (resi   35  and name HN   ) (resi   36  and name HN   ) 2.7 0.9 0.2 
assi (resi   35  and name HN   ) (resi   36  and name HA#  ) 5.0 4.2 3.0 ! G36   
assi (resi   35  and name HN   ) (resi   37  and name HG2# ) 5.0 4.7 3.5 ! V37   
assi (resi   35  and name HN   ) (resi   97  and name HA#  ) 4.0 3.2 2.0 ! G97   
assi (resi   35  and name HN   ) (resi   98  and name HN   ) 4.0 2.2 1.0 
assi (resi   35  and name HN   ) (resi   98  and name HB2  ) 5.0 3.2 2.0 
assi (resi   35  and name HN   ) (resi   99  and name HA   ) 4.0 2.2 1.0 
assi (resi   35  and name HA   ) (resi   35  and name HB2  ) 2.7 0.9 0.2 
assi (resi   35  and name HA   ) (resi   36  and name HN   ) 3.0 1.2 0.5 
assi (resi   35  and name HB1  ) (resi   36  and name HN   ) 4.0 2.2 1.0 
assi (resi   35  and name HB2  ) (resi   36  and name HN   ) 4.0 2.2 1.0 
! residue G36 
assi (resi   36  and name HN   ) (resi   37  and name HN   ) 4.0 2.2 1.0 
assi (resi   36  and name HN   ) (resi   37  and name HG2# ) 5.0 4.7 3.5 ! V37   
assi (resi   36  and name HN   ) (resi   96  and name HG1# ) 5.0 4.7 3.5 ! V96   
assi (resi   36  and name HA1  ) (resi   37  and name HN   ) 3.0 1.2 0.5 
assi (resi   36  and name HA2  ) (resi   37  and name HN   ) 3.0 1.2 0.5 
assi (resi   36  and name HA#  ) (resi   97  and name HN   ) 5.0 4.2 3.0 ! G36   
assi (resi   36  and name HA#  ) (resi   98  and name HN   ) 5.0 4.2 3.0 ! G36   
! residue V37 
assi (resi   37  and name HN   ) (resi   37  and name HB   ) 3.0 1.2 0.5 
assi (resi   37  and name HN   ) (resi   96  and name HN   ) 3.0 1.2 0.5 
assi (resi   37  and name HN   ) (resi   96  and name HB   ) 5.0 3.2 2.0 
assi (resi   37  and name HN   ) (resi   96  and name HG1# ) 4.0 3.7 2.5 ! V96   
assi (resi   37  and name HN   ) (resi   97  and name HA#  ) 4.0 3.2 2.0 ! G97   
assi (resi   37  and name HA   ) (resi   37  and name HB   ) 2.7 0.9 0.2 
assi (resi   37  and name HA   ) (resi   38  and name HN   ) 3.0 1.2 0.5 
assi (resi   37  and name HA   ) (resi   38  and name HG#  ) 5.0 4.2 3.0 ! K38   
assi (resi   37  and name HA   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   37  and name HB   ) (resi   38  and name HA   ) 4.0 2.2 1.0 
assi (resi   37  and name HB   ) (resi   39  and name HD1# ) 5.0 4.7 3.5 ! L39   
assi (resi   37  and name HB   ) (resi   96  and name HN   ) 5.0 3.2 2.0 
assi (resi   37  and name HG1# ) (resi   64  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   67  and name HA   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   69  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   69  and name HA   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   70  and name HA   ) 4.0 3.7 2.5 ! V37   
assi (resi   37  and name HG1# ) (resi   71  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   71  and name HA   ) 4.0 3.7 2.5 ! V37   
assi (resi   37  and name HG1# ) (resi   72  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG1# ) (resi   72  and name HE#  ) 5.0 7.7 6.5 ! V37    Y72  
assi (resi   37  and name HG2# ) (resi   38  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HG2# ) (resi   67  and name HZ   ) 3.0 2.7 2.0 ! V37   
assi (resi   37  and name HG2# ) (resi   96  and name HN   ) 5.0 4.7 3.5 ! V37   
assi (resi   37  and name HB   ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assi (resi   37  and name HN   ) (resi   38  and name HN   ) 5.0 3.2 2.0 
assi (resi   37  and name HN   ) (resi   39  and name HB#  ) 5.0 4.2 3.0 ! L39   
assi (resi   37  and name HN   ) (resi   96  and name HA   ) 5.0 3.2 2.0 
assi (resi   37  and name HN   ) (resi   98  and name HB2  ) 5.0 3.2 2.0 
assi (resi   37  and name HB   ) (resi   38  and name HN   ) 5.0 3.2 2.0 
! residue K38 
assi (resi   38  and name HN   ) (resi   38  and name HG#  ) 5.0 4.2 3.0 ! K38   
assi (resi   38  and name HN   ) (resi   39  and name HN   ) 4.0 2.2 1.0 
assi (resi   38  and name HA   ) (resi   38  and name HG#  ) 4.0 3.2 2.0 ! K38   
assi (resi   38  and name HA   ) (resi   39  and name HN   ) 2.7 0.9 0.2 
assi (resi   38  and name HA   ) (resi   95  and name HA   ) 2.7 0.9 0.2 
assi (resi   38  and name HA   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   38  and name HA   ) (resi   96  and name HN   ) 4.0 2.2 1.0 
assi (resi   38  and name HB#  ) (resi   95  and name HA   ) 5.0 4.2 3.0 ! K38   
assi (resi   38  and name HB#  ) (resi   96  and name HN   ) 5.0 4.2 3.0 ! K38   
assi (resi   38  and name HG1  ) (resi   39  and name HB1  ) 5.0 3.2 2.0 
assi (resi   38  and name HG1  ) (resi   39  and name HB2  ) 5.0 3.2 2.0 
assi (resi   38  and name HG2  ) (resi   39  and name HB1  ) 5.0 3.2 2.0 
assi (resi   38  and name HG2  ) (resi   39  and name HB2  ) 5.0 3.2 2.0 
assi (resi   38  and name HG#  ) (resi   39  and name HN   ) 5.0 4.2 3.0 ! K38   
assi (resi   38  and name HG#  ) (resi   39  and name HB#  ) 4.0 4.2 3.0 ! K38    L39  
! residue L39 
assi (resi   39  and name HN   ) (resi   39  and name HB1  ) 3.0 1.2 0.5 
assi (resi   39  and name HN   ) (resi   39  and name HB2  ) 3.0 1.2 0.5 
assi (resi   39  and name HN   ) (resi   39  and name HB#  ) 3.0 2.2 1.5 ! L39   
assi (resi   39  and name HN   ) (resi   39  and name HG   ) 4.0 2.2 1.0 
assi (resi   39  and name HN   ) (resi   39  and name HD1# ) 5.0 4.7 3.5 ! L39   
assi (resi   39  and name HN   ) (resi   71  and name HB1  ) 5.0 3.2 2.0 
assi (resi   39  and name HN   ) (resi   94  and name HG2# ) 5.0 4.7 3.5 ! V94   
assi (resi   39  and name HN   ) (resi   95  and name HA   ) 3.0 1.2 0.5 
assi (resi   39  and name HN   ) (resi   96  and name HB   ) 5.0 3.2 2.0 
assi (resi   39  and name HN   ) (resi   96  and name HG1# ) 5.0 4.7 3.5 ! V96   
assi (resi   39  and name HA   ) (resi   39  and name HD1# ) 5.0 4.7 3.5 ! L39   
assi (resi   39  and name HA   ) (resi   39  and name HD2# ) 4.0 3.7 2.5 ! L39   
assi (resi   39  and name HA   ) (resi   40  and name HD1  ) 3.0 1.2 0.5 
assi (resi   39  and name HA   ) (resi   40  and name HD2  ) 3.0 1.2 0.5 
assi (resi   39  and name HA   ) (resi   40  and name HD#  ) 2.7 1.9 1.2 ! P40   
assi (resi   39  and name HB1  ) (resi   40  and name HD1  ) 5.0 3.2 2.0 
assi (resi   39  and name HB1  ) (resi   40  and name HD2  ) 5.0 3.2 2.0 
assi (resi   39  and name HB2  ) (resi   40  and name HD1  ) 5.0 3.2 2.0 
assi (resi   39  and name HB2  ) (resi   40  and name HD2  ) 5.0 3.2 2.0 
assi (resi   39  and name HB#  ) (resi   40  and name HD#  ) 4.0 4.2 3.0 ! L39    P40  
assi (resi   39  and name HG   ) (resi   94  and name HN   ) 5.0 3.2 2.0 
assi (resi   39  and name HN   ) (resi   40  and name HD#  ) 5.0 4.2 3.0 ! P40   
assi (resi   39  and name HN   ) (resi   94  and name HA   ) 5.0 3.2 2.0 
assi (resi   39  and name HD2# ) (resi   93  and name HN   ) 5.0 4.7 3.5 ! L39   
! residue P40 
assi (resi   40  and name HA   ) (resi   41  and name HN   ) 2.7 0.9 0.2 
assi (resi   40  and name HA   ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assi (resi   40  and name HB1  ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assi (resi   40  and name HB2  ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assi (resi   40  and name HB#  ) (resi   41  and name HN   ) 4.0 3.2 2.0 ! P40   
assi (resi   40  and name HB#  ) (resi   41  and name HA   ) 3.0 2.2 1.5 ! P40   
assi (resi   40  and name HB#  ) (resi   42  and name HN   ) 4.0 3.2 2.0 ! P40   
assi (resi   40  and name HG#  ) (resi   42  and name HN   ) 5.0 4.2 3.0 ! P40   
assi (resi   40  and name HD#  ) (resi   41  and name HN   ) 5.0 4.2 3.0 ! P40   
! residue A41 
assi (resi   41  and name HN   ) (resi   42  and name HN   ) 4.0 2.2 1.0 
assi (resi   41  and name HA   ) (resi   44  and name HN   ) 4.0 2.2 1.0 
assi (resi   41  and name HA   ) (resi   44  and name HB1  ) 3.0 1.2 0.5 
assi (resi   41  and name HB#  ) (resi   42  and name HA   ) 5.0 4.7 3.5 ! A41   
assi (resi   41  and name HB#  ) (resi   45  and name HN   ) 5.0 4.7 3.5 ! A41   
assi (resi   41  and name HB#  ) (resi   94  and name HN   ) 5.0 4.7 3.5 ! A41   
! residue S42 
assi (resi   42  and name HN   ) (resi   42  and name HB#  ) 4.0 3.2 2.0 ! S42   
assi (resi   42  and name HN   ) (resi   43  and name HB#  ) 5.0 4.7 3.5 ! A43   
assi (resi   42  and name HA   ) (resi   42  and name HB1  ) 2.7 0.9 0.2 
assi (resi   42  and name HA   ) (resi   42  and name HB2  ) 2.7 0.9 0.2 
assi (resi   42  and name HA   ) (resi   42  and name HB#  ) 2.7 1.9 1.2 ! S42   
assi (resi   42  and name HN   ) (resi   43  and name HA   ) 5.0 3.2 2.0 
assi (resi   42  and name HN   ) (resi   44  and name HB1  ) 5.0 3.2 2.0 
! residue A43 
assi (resi   43  and name HN   ) (resi   44  and name HB2  ) 4.0 2.2 1.0 
assi (resi   43  and name HA   ) (resi   44  and name HN   ) 2.7 0.9 0.2 
! residue R44 
assi (resi   44  and name HN   ) (resi   44  and name HB1  ) 4.0 2.2 1.0 
assi (resi   44  and name HN   ) (resi   44  and name HB2  ) 4.0 2.2 1.0 
assi (resi   44  and name HN   ) (resi   45  and name HN   ) 2.7 0.9 0.2 
assi (resi   44  and name HA   ) (resi   44  and name HB2  ) 2.7 0.9 0.2 
assi (resi   44  and name HA   ) (resi   44  and name HD#  ) 4.0 3.2 2.0 ! R44   
assi (resi   44  and name HB2  ) (resi   45  and name HN   ) 4.0 2.2 1.0 
assi (resi   44  and name HG#  ) (resi   45  and name HN   ) 5.0 4.2 3.0 ! R44   
assi (resi   44  and name HD#  ) (resi   45  and name HN   ) 5.0 4.2 3.0 ! R44   
assi (resi   44  and name HN   ) (resi   44  and name HD#  ) 5.0 4.2 3.0 ! R44   
! residue S45 
assi (resi   45  and name HN   ) (resi   45  and name HB1  ) 3.0 1.2 0.5 
assi (resi   45  and name HN   ) (resi   45  and name HB2  ) 3.0 1.2 0.5 
assi (resi   45  and name HA   ) (resi   46  and name HN   ) 3.0 1.2 0.5 
assi (resi   45  and name HB1  ) (resi   46  and name HN   ) 3.0 1.2 0.5 
assi (resi   45  and name HB2  ) (resi   46  and name HN   ) 3.0 1.2 0.5 
assi (resi   45  and name HB#  ) (resi   46  and name HN   ) 2.7 1.9 1.2 ! S45   
assi (resi   45  and name HB#  ) (resi   90  and name HG#  ) 5.0 5.2 4.0 ! S45    P90  
assi (resi   45  and name HN   ) (resi   45  and name HB#  ) 4.0 3.2 2.0 ! S45   
! residue F46 
assi (resi   46  and name HN   ) (resi   47  and name HN   ) 4.0 2.2 1.0 
assi (resi   46  and name HN   ) (resi   47  and name HA   ) 4.0 2.2 1.0 
assi (resi   46  and name HN   ) (resi   88  and name HG#  ) 5.0 4.2 3.0 ! P88   
assi (resi   46  and name HN   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assi (resi   46  and name HN   ) (resi   89  and name HA   ) 4.0 2.2 1.0 
assi (resi   46  and name HA   ) (resi   46  and name HB1  ) 2.7 0.9 0.2 
assi (resi   46  and name HA   ) (resi   46  and name HB2  ) 2.7 0.9 0.2 
assi (resi   46  and name HA   ) (resi   46  and name HE#  ) 5.0 6.2 5.0 ! F46   
assi (resi   46  and name HA   ) (resi   47  and name HN   ) 2.7 0.9 0.2 
assi (resi   46  and name HB1  ) (resi   47  and name HN   ) 3.0 1.2 0.5 
assi (resi   46  and name HB2  ) (resi   47  and name HN   ) 3.0 1.2 0.5 
assi (resi   46  and name HZ   ) (resi   52  and name HB1  ) 4.0 2.2 1.0 
assi (resi   46  and name HZ   ) (resi   52  and name HB2  ) 4.0 2.2 1.0 
! residue A47 
assi (resi   47  and name HN   ) (resi   49  and name HN   ) 4.0 2.2 1.0 
assi (resi   47  and name HA   ) (resi   48  and name HN   ) 2.7 0.9 0.2 
assi (resi   47  and name HA   ) (resi   88  and name HA   ) 2.7 0.9 0.2 
assi (resi   47  and name HA   ) (resi   88  and name HB1  ) 4.0 2.2 1.0 
assi (resi   47  and name HA   ) (resi   88  and name HB2  ) 4.0 2.2 1.0 
assi (resi   47  and name HA   ) (resi   88  and name HB#  ) 4.0 3.2 2.0 ! P88   
assi (resi   47  and name HA   ) (resi   88  and name HG#  ) 5.0 4.2 3.0 ! P88   
assi (resi   47  and name HA   ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assi (resi   47  and name HB#  ) (resi   48  and name HA   ) 5.0 4.7 3.5 ! A47   
assi (resi   47  and name HB#  ) (resi   49  and name HN   ) 5.0 4.7 3.5 ! A47   
assi (resi   47  and name HN   ) (resi   48  and name HN   ) 5.0 3.2 2.0 
assi (resi   47  and name HA   ) (resi   49  and name HN   ) 5.0 3.2 2.0 
! residue N48 
assi (resi   48  and name HN   ) (resi   48  and name HB1  ) 4.0 2.2 1.0 
assi (resi   48  and name HN   ) (resi   48  and name HB2  ) 3.0 1.2 0.5 
assi (resi   48  and name HN   ) (resi   49  and name HN   ) 4.0 2.2 1.0 
assi (resi   48  and name HN   ) (resi   87  and name HN   ) 4.0 2.2 1.0 
assi (resi   48  and name HN   ) (resi   88  and name HA   ) 3.0 1.2 0.5 
assi (resi   48  and name HN   ) (resi   88  and name HG#  ) 5.0 4.2 3.0 ! P88   
assi (resi   48  and name HA   ) (resi   48  and name HB1  ) 2.7 0.9 0.2 
assi (resi   48  and name HA   ) (resi   49  and name HN   ) 2.7 0.9 0.2 
assi (resi   48  and name HA   ) (resi  100  and name HD2# ) 4.0 3.7 2.5 ! L100  
assi (resi   48  and name HB1  ) (resi   49  and name HN   ) 4.0 2.2 1.0 
assi (resi   48  and name HB1  ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assi (resi   48  and name HB2  ) (resi   54  and name HD2# ) 5.0 4.7 3.5 ! L54   
assi (resi   48  and name HB2  ) (resi   81  and name HN   ) 5.0 3.2 2.0 
assi (resi   48  and name HD21 ) (resi   54  and name HN   ) 5.0 3.2 2.0 
assi (resi   48  and name HD21 ) (resi   81  and name HA1  ) 5.0 3.2 2.0 
assi (resi   48  and name HD21 ) (resi   81  and name HA2  ) 5.0 3.2 2.0 
assi (resi   48  and name HD22 ) (resi   54  and name HN   ) 5.0 3.2 2.0 
assi (resi   48  and name HD22 ) (resi   81  and name HA1  ) 5.0 3.2 2.0 
assi (resi   48  and name HD22 ) (resi   81  and name HA2  ) 5.0 3.2 2.0 
assi (resi   48  and name HD2# ) (resi   53  and name HA   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   54  and name HN   ) 4.0 3.2 2.0 ! N48   
assi (resi   48  and name HD2# ) (resi   54  and name HB2  ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   54  and name HG   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   54  and name HD2# ) 5.0 5.7 4.5 ! N48    L54  
assi (resi   48  and name HD2# ) (resi   78  and name HG1# ) 5.0 5.7 4.5 ! N48    V78  
assi (resi   48  and name HD2# ) (resi   80  and name HA   ) 4.0 3.2 2.0 ! N48   
assi (resi   48  and name HD2# ) (resi   80  and name HB#  ) 5.0 5.2 4.0 ! N48    P80  
assi (resi   48  and name HD2# ) (resi   81  and name HN   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   82  and name HN   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi  100  and name HD2# ) 5.0 5.7 4.5 ! N48    L100 
assi (resi   48  and name HB2  ) (resi   49  and name HN   ) 4.0 2.2 1.0 
assi (resi   48  and name HN   ) (resi   48  and name HD2# ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HB1  ) (resi   50  and name HN   ) 5.0 3.2 2.0 
assi (resi   48  and name HD2# ) (resi   49  and name HN   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   50  and name HN   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   52  and name HN   ) 5.0 4.2 3.0 ! N48   
assi (resi   48  and name HD2# ) (resi   81  and name HA#  ) 5.0 5.2 4.0 ! N48    G81  
assi (resi   48  and name HD2# ) (resi   90  and name HA   ) 5.0 4.2 3.0 ! N48   
! residue G49 
assi (resi   49  and name HN   ) (resi   50  and name HN   ) 3.0 1.2 0.5 
assi (resi   49  and name HN   ) (resi   50  and name HG2# ) 5.0 4.7 3.5 ! T50   
assi (resi   49  and name HA#  ) (resi   86  and name HA   ) 4.0 3.2 2.0 ! G49   
assi (resi   49  and name HA#  ) (resi   87  and name HN   ) 4.0 3.2 2.0 ! G49   
assi (resi   49  and name HN   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
! residue T50 
assi (resi   50  and name HN   ) (resi   50  and name HG2# ) 4.0 3.7 2.5 ! T50   
assi (resi   50  and name HN   ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assi (resi   50  and name HN   ) (resi   86  and name HA   ) 4.0 2.2 1.0 
assi (resi   50  and name HN   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi   50  and name HA   ) (resi   51  and name HN   ) 2.7 0.9 0.2 
assi (resi   50  and name HA   ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assi (resi   50  and name HB   ) (resi   52  and name HN   ) 3.0 1.2 0.5 
assi (resi   50  and name HB   ) (resi   53  and name HN   ) 4.0 2.2 1.0 
assi (resi   50  and name HG2# ) (resi   51  and name HN   ) 5.0 4.7 3.5 ! T50   
assi (resi   50  and name HN   ) (resi   80  and name HB#  ) 5.0 4.2 3.0 ! P80   
! residue H51 
assi (resi   51  and name HN   ) (resi   52  and name HN   ) 2.7 0.9 0.2 
assi (resi   51  and name HN   ) (resi   52  and name HB#  ) 4.0 3.2 2.0 ! F52   
assi (resi   51  and name HN   ) (resi   80  and name HB#  ) 5.0 4.2 3.0 ! P80   
assi (resi   51  and name HN   ) (resi  100  and name HG   ) 4.0 2.2 1.0 
assi (resi   51  and name HA   ) (resi   51  and name HB1  ) 2.7 0.9 0.2 
assi (resi   51  and name HA   ) (resi   51  and name HB2  ) 2.7 0.9 0.2 
assi (resi   51  and name HA   ) (resi   52  and name HN   ) 3.0 1.2 0.5 
assi (resi   51  and name HA   ) (resi   80  and name HB1  ) 4.0 2.2 1.0 
assi (resi   51  and name HA   ) (resi   80  and name HB2  ) 4.0 2.2 1.0 
assi (resi   51  and name HA   ) (resi   80  and name HB#  ) 4.0 3.2 2.0 ! P80   
assi (resi   51  and name HB#  ) (resi   52  and name HN   ) 4.0 3.2 2.0 ! H51   
assi (resi   51  and name HD2  ) (resi   52  and name HN   ) 4.0 2.2 1.0 
assi (resi   51  and name HD2  ) (resi   52  and name HD#  ) 5.0 5.2 4.0 ! F52   
assi (resi   51  and name HD2  ) (resi   53  and name HN   ) 5.0 3.2 2.0 
assi (resi   51  and name HD2  ) (resi   53  and name HA   ) 2.7 0.9 0.2 
assi (resi   51  and name HD2  ) (resi   98  and name HE21 ) 5.0 3.2 2.0 
assi (resi   51  and name HD2  ) (resi   98  and name HE22 ) 5.0 3.2 2.0 
assi (resi   51  and name HD2  ) (resi   99  and name HN   ) 5.0 3.2 2.0 
assi (resi   51  and name HE1  ) (resi  100  and name HN   ) 5.0 3.2 2.0 
assi (resi   51  and name HE1  ) (resi  101  and name HN   ) 4.0 2.2 1.0 
assi (resi   51  and name HN   ) (resi   51  and name HD2  ) 5.0 3.2 2.0 
assi (resi   51  and name HN   ) (resi   86  and name HA   ) 5.0 3.2 2.0 
assi (resi   51  and name HA   ) (resi   81  and name HN   ) 5.0 3.2 2.0 
assi (resi   51  and name HD2  ) (resi  100  and name HN   ) 5.0 3.2 2.0 
assi (resi   51  and name HD2  ) (resi  101  and name HN   ) 5.0 3.2 2.0 
! residue F52 
assi (resi   52  and name HN   ) (resi   52  and name HB#  ) 4.0 3.2 2.0 ! F52   
assi (resi   52  and name HN   ) (resi   52  and name HE#  ) 5.0 6.2 5.0 ! F52   
assi (resi   52  and name HN   ) (resi  100  and name HG   ) 5.0 3.2 2.0 
assi (resi   52  and name HN   ) (resi  100  and name HD1# ) 4.0 3.7 2.5 ! L100  
assi (resi   52  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   52  and name HA   ) (resi   52  and name HB1  ) 2.7 0.9 0.2 
assi (resi   52  and name HA   ) (resi   52  and name HB2  ) 2.7 0.9 0.2 
assi (resi   52  and name HA   ) (resi   52  and name HB#  ) 2.7 1.9 1.2 ! F52   
assi (resi   52  and name HA   ) (resi   53  and name HN   ) 2.7 0.9 0.2 
assi (resi   52  and name HA   ) (resi  100  and name HA   ) 3.0 1.2 0.5 
assi (resi   52  and name HA   ) (resi  100  and name HG   ) 4.0 2.2 1.0 
assi (resi   52  and name HB1  ) (resi   53  and name HN   ) 4.0 2.2 1.0 
assi (resi   52  and name HB1  ) (resi  100  and name HB2  ) 4.0 2.2 1.0 
assi (resi   52  and name HB1  ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi   52  and name HB2  ) (resi   53  and name HN   ) 4.0 2.2 1.0 
assi (resi   52  and name HB2  ) (resi  100  and name HB2  ) 4.0 2.2 1.0 
assi (resi   52  and name HB2  ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi   52  and name HB#  ) (resi   52  and name HZ   ) 4.0 3.2 2.0 ! F52   
assi (resi   52  and name HB#  ) (resi   53  and name HN   ) 4.0 3.2 2.0 ! F52   
assi (resi   52  and name HB#  ) (resi   99  and name HN   ) 5.0 4.2 3.0 ! F52   
assi (resi   52  and name HB#  ) (resi  100  and name HB2  ) 4.0 3.2 2.0 ! F52   
assi (resi   52  and name HB#  ) (resi  100  and name HG   ) 5.0 4.2 3.0 ! F52   
assi (resi   52  and name HB#  ) (resi  100  and name HD1# ) 5.0 5.7 4.5 ! F52    L100 
assi (resi   52  and name HD#  ) (resi  100  and name HD1# ) 5.0 6.7 5.5 ! F52    L100 
assi (resi   52  and name HE#  ) (resi   54  and name HD1# ) 5.0 7.7 6.5 ! F52    L54  
assi (resi   52  and name HE#  ) (resi   56  and name HD#  ) 5.0 8.2 7.0 ! F52    Y56  
assi (resi   52  and name HE#  ) (resi   78  and name HG1# ) 5.0 7.7 6.5 ! F52    V78  
assi (resi   52  and name HZ   ) (resi   54  and name HB2  ) 2.7 0.9 0.2 
assi (resi   52  and name HZ   ) (resi   54  and name HD1# ) 3.0 2.7 2.0 ! L54   
assi (resi   52  and name HZ   ) (resi   81  and name HA#  ) 4.0 3.2 2.0 ! G81   
assi (resi   52  and name HZ   ) (resi   90  and name HG#  ) 4.0 3.2 2.0 ! P90   
assi (resi   52  and name HN   ) (resi   52  and name HZ   ) 5.0 3.2 2.0 
assi (resi   52  and name HN   ) (resi  100  and name HB2  ) 5.0 3.2 2.0 
assi (resi   52  and name HD#  ) (resi  100  and name HN   ) 5.0 5.2 4.0 ! F52   
assi (resi   52  and name HZ   ) (resi   98  and name HE2# ) 5.0 4.2 3.0 ! Q98   
! residue T53 
assi (resi   53  and name HN   ) (resi   53  and name HB   ) 3.0 1.2 0.5 
assi (resi   53  and name HN   ) (resi   54  and name HD2# ) 5.0 4.7 3.5 ! L54   
assi (resi   53  and name HN   ) (resi   99  and name HN   ) 4.0 2.2 1.0 
assi (resi   53  and name HN   ) (resi   99  and name HB1  ) 5.0 3.2 2.0 
assi (resi   53  and name HN   ) (resi   99  and name HB2  ) 5.0 3.2 2.0 
assi (resi   53  and name HN   ) (resi  100  and name HA   ) 4.0 2.2 1.0 
assi (resi   53  and name HN   ) (resi  100  and name HB2  ) 5.0 3.2 2.0 
assi (resi   53  and name HA   ) (resi   53  and name HB   ) 2.7 0.9 0.2 
assi (resi   53  and name HA   ) (resi   54  and name HN   ) 2.7 0.9 0.2 
assi (resi   53  and name HA   ) (resi   79  and name HA   ) 2.7 0.9 0.2 
assi (resi   53  and name HA   ) (resi   79  and name HB#  ) 5.0 4.7 3.5 ! A79   
assi (resi   53  and name HB   ) (resi   54  and name HN   ) 4.0 2.2 1.0 
assi (resi   53  and name HB   ) (resi   99  and name HN   ) 5.0 3.2 2.0 
assi (resi   53  and name HB   ) (resi   99  and name HB1  ) 4.0 2.2 1.0 
assi (resi   53  and name HB   ) (resi   99  and name HB2  ) 4.0 2.2 1.0 
assi (resi   53  and name HG2# ) (resi   54  and name HN   ) 4.0 3.7 2.5 ! T53   
assi (resi   53  and name HG2# ) (resi   79  and name HN   ) 5.0 4.7 3.5 ! T53   
assi (resi   53  and name HG2# ) (resi   79  and name HA   ) 4.0 3.7 2.5 ! T53   
assi (resi   53  and name HG2# ) (resi   99  and name HN   ) 5.0 4.7 3.5 ! T53   
assi (resi   53  and name HG2# ) (resi   99  and name HB1  ) 4.0 3.7 2.5 ! T53   
assi (resi   53  and name HG2# ) (resi   99  and name HB2  ) 4.0 3.7 2.5 ! T53   
assi (resi   53  and name HN   ) (resi   54  and name HA   ) 5.0 3.2 2.0 
assi (resi   53  and name HG2# ) (resi  102  and name HN   ) 5.0 4.7 3.5 ! T53   
! residue L54 
assi (resi   54  and name HN   ) (resi   54  and name HB1  ) 3.0 1.2 0.5 
assi (resi   54  and name HN   ) (resi   54  and name HB2  ) 3.0 1.2 0.5 
assi (resi   54  and name HN   ) (resi   54  and name HG   ) 4.0 2.2 1.0 
assi (resi   54  and name HN   ) (resi   54  and name HD2# ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HN   ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assi (resi   54  and name HN   ) (resi   55  and name HA   ) 4.0 2.2 1.0 
assi (resi   54  and name HN   ) (resi   78  and name HN   ) 3.0 1.2 0.5 
assi (resi   54  and name HN   ) (resi   78  and name HB   ) 4.0 2.2 1.0 
assi (resi   54  and name HN   ) (resi   78  and name HG1# ) 5.0 4.7 3.5 ! V78   
assi (resi   54  and name HN   ) (resi   80  and name HD#  ) 5.0 4.2 3.0 ! P80   
assi (resi   54  and name HN   ) (resi   99  and name HB1  ) 5.0 3.2 2.0 
assi (resi   54  and name HA   ) (resi   54  and name HB1  ) 2.7 0.9 0.2 
assi (resi   54  and name HA   ) (resi   54  and name HG   ) 4.0 2.2 1.0 
assi (resi   54  and name HA   ) (resi   54  and name HD1# ) 4.0 3.7 2.5 ! L54   
assi (resi   54  and name HA   ) (resi   54  and name HD2# ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HA   ) (resi   55  and name HN   ) 2.7 0.9 0.2 
assi (resi   54  and name HA   ) (resi   78  and name HN   ) 4.0 2.2 1.0 
assi (resi   54  and name HA   ) (resi   97  and name HN   ) 4.0 2.2 1.0 
assi (resi   54  and name HA   ) (resi   98  and name HA   ) 2.7 0.9 0.2 
assi (resi   54  and name HA   ) (resi   99  and name HN   ) 3.0 1.2 0.5 
assi (resi   54  and name HB1  ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assi (resi   54  and name HB1  ) (resi   56  and name HD#  ) 5.0 5.2 4.0 ! Y56   
assi (resi   54  and name HB1  ) (resi   78  and name HB   ) 4.0 2.2 1.0 
assi (resi   54  and name HB1  ) (resi   82  and name HN   ) 5.0 3.2 2.0 
assi (resi   54  and name HB1  ) (resi   96  and name HG2# ) 4.0 3.7 2.5 ! V96   
assi (resi   54  and name HB2  ) (resi   55  and name HN   ) 4.0 2.2 1.0 
assi (resi   54  and name HB2  ) (resi   78  and name HB   ) 4.0 2.2 1.0 
assi (resi   54  and name HB2  ) (resi   96  and name HG2# ) 5.0 4.7 3.5 ! V96   
assi (resi   54  and name HG   ) (resi   79  and name HN   ) 5.0 3.2 2.0 
assi (resi   54  and name HD1# ) (resi   55  and name HN   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD1# ) (resi   56  and name HD#  ) 5.0 6.7 5.5 ! L54    Y56  
assi (resi   54  and name HD1# ) (resi   78  and name HN   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD1# ) (resi   91  and name HN   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD1# ) (resi   96  and name HB   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD1# ) (resi   97  and name HN   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD1# ) (resi   98  and name HN   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HD2# ) (resi   56  and name HD#  ) 5.0 6.7 5.5 ! L54    Y56  
assi (resi   54  and name HD2# ) (resi   56  and name HE#  ) 5.0 7.7 6.5 ! L54    Y56  
assi (resi   54  and name HD2# ) (resi   78  and name HB   ) 5.0 4.7 3.5 ! L54   
assi (resi   54  and name HN   ) (resi   77  and name HA   ) 5.0 3.2 2.0 
assi (resi   54  and name HB1  ) (resi   78  and name HN   ) 5.0 3.2 2.0 
assi (resi   54  and name HG   ) (resi   78  and name HN   ) 5.0 3.2 2.0 
assi (resi   54  and name HD2# ) (resi   89  and name HN   ) 5.0 4.7 3.5 ! L54   
! residue R55 
assi (resi   55  and name HN   ) (resi   55  and name HB1  ) 3.0 1.2 0.5 
assi (resi   55  and name HN   ) (resi   55  and name HB2  ) 4.0 2.2 1.0 
assi (resi   55  and name HN   ) (resi   55  and name HG#  ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HN   ) (resi   96  and name HG2# ) 5.0 4.7 3.5 ! V96   
assi (resi   55  and name HN   ) (resi   97  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HN   ) (resi   98  and name HA   ) 4.0 2.2 1.0 
assi (resi   55  and name HN   ) (resi   99  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HA   ) (resi   55  and name HB2  ) 2.7 0.9 0.2 
assi (resi   55  and name HA   ) (resi   56  and name HN   ) 2.7 0.9 0.2 
assi (resi   55  and name HA   ) (resi   56  and name HD#  ) 5.0 5.2 4.0 ! Y56   
assi (resi   55  and name HA   ) (resi   74  and name HG2# ) 5.0 4.7 3.5 ! T74   
assi (resi   55  and name HA   ) (resi   76  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HA   ) (resi   77  and name HA   ) 2.7 0.9 0.2 
assi (resi   55  and name HA   ) (resi   77  and name HB1  ) 4.0 2.2 1.0 
assi (resi   55  and name HA   ) (resi   77  and name HG#  ) 4.0 3.2 2.0 ! K77   
assi (resi   55  and name HA   ) (resi   78  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HB1  ) (resi   56  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HB1  ) (resi   56  and name HD#  ) 4.0 4.2 3.0 ! Y56   
assi (resi   55  and name HB1  ) (resi   97  and name HN   ) 5.0 3.2 2.0 
assi (resi   55  and name HB2  ) (resi   56  and name HN   ) 4.0 2.2 1.0 
assi (resi   55  and name HB2  ) (resi   96  and name HA   ) 5.0 3.2 2.0 
assi (resi   55  and name HB2  ) (resi   97  and name HN   ) 5.0 3.2 2.0 
assi (resi   55  and name HG#  ) (resi   56  and name HN   ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HG#  ) (resi   77  and name HN   ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HG#  ) (resi   77  and name HA   ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HG#  ) (resi   97  and name HN   ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HD#  ) (resi   97  and name HA#  ) 5.0 5.2 4.0 ! R55    G97  
assi (resi   55  and name HN   ) (resi   55  and name HD#  ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HN   ) (resi   74  and name HG2# ) 5.0 4.7 3.5 ! T74   
assi (resi   55  and name HN   ) (resi   97  and name HA1  ) 5.0 3.2 2.0 
assi (resi   55  and name HN   ) (resi   97  and name HA2  ) 5.0 3.2 2.0 
assi (resi   55  and name HN   ) (resi   97  and name HA#  ) 5.0 4.2 3.0 ! G97   
assi (resi   55  and name HA   ) (resi   77  and name HN   ) 5.0 3.2 2.0 
assi (resi   55  and name HD#  ) (resi   56  and name HN   ) 5.0 4.2 3.0 ! R55   
assi (resi   55  and name HD#  ) (resi   99  and name HN   ) 5.0 4.2 3.0 ! R55   
! residue Y56 
assi (resi   56  and name HN   ) (resi   74  and name HA   ) 4.0 2.2 1.0 
assi (resi   56  and name HN   ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assi (resi   56  and name HN   ) (resi   76  and name HN   ) 4.0 2.2 1.0 
assi (resi   56  and name HN   ) (resi   77  and name HA   ) 4.0 2.2 1.0 
assi (resi   56  and name HN   ) (resi   77  and name HG#  ) 5.0 4.2 3.0 ! K77   
assi (resi   56  and name HN   ) (resi   94  and name HG2# ) 5.0 4.7 3.5 ! V94   
assi (resi   56  and name HN   ) (resi   96  and name HG2# ) 5.0 4.7 3.5 ! V96   
assi (resi   56  and name HA   ) (resi   57  and name HN   ) 2.7 0.9 0.2 
assi (resi   56  and name HA   ) (resi   74  and name HN   ) 4.0 2.2 1.0 
assi (resi   56  and name HA   ) (resi   94  and name HG2# ) 5.0 4.7 3.5 ! V94   
assi (resi   56  and name HA   ) (resi   95  and name HG2# ) 4.0 3.7 2.5 ! T95   
assi (resi   56  and name HA   ) (resi   96  and name HA   ) 2.7 0.9 0.2 
assi (resi   56  and name HA   ) (resi   96  and name HB   ) 4.0 2.2 1.0 
assi (resi   56  and name HA   ) (resi   97  and name HN   ) 4.0 2.2 1.0 
assi (resi   56  and name HB#  ) (resi   57  and name HN   ) 4.0 3.2 2.0 ! Y56   
assi (resi   56  and name HB#  ) (resi   76  and name HN   ) 5.0 4.2 3.0 ! Y56   
assi (resi   56  and name HB#  ) (resi   94  and name HG2# ) 5.0 5.7 4.5 ! Y56    V94  
assi (resi   56  and name HB#  ) (resi   96  and name HA   ) 5.0 4.2 3.0 ! Y56   
assi (resi   56  and name HB#  ) (resi   96  and name HG2# ) 5.0 5.7 4.5 ! Y56    V96  
assi (resi   56  and name HB#  ) (resi   97  and name HN   ) 5.0 4.2 3.0 ! Y56   
assi (resi   56  and name HD#  ) (resi   57  and name HN   ) 5.0 5.2 4.0 ! Y56   
assi (resi   56  and name HD#  ) (resi   57  and name HA#  ) 5.0 6.2 5.0 ! Y56    G57  
assi (resi   56  and name HD#  ) (resi   72  and name HD#  ) 5.0 7.2 6.0 ! Y56    Y72  
assi (resi   56  and name HD#  ) (resi   77  and name HA   ) 5.0 5.2 4.0 ! Y56   
assi (resi   56  and name HD#  ) (resi   78  and name HB   ) 5.0 5.2 4.0 ! Y56   
assi (resi   56  and name HD#  ) (resi   78  and name HG2# ) 5.0 6.7 5.5 ! Y56    V78  
assi (resi   56  and name HD#  ) (resi   90  and name HB#  ) 5.0 6.2 5.0 ! Y56    P90  
assi (resi   56  and name HD#  ) (resi   94  and name HG2# ) 5.0 6.7 5.5 ! Y56    V94  
assi (resi   56  and name HD#  ) (resi   95  and name HG2# ) 5.0 6.7 5.5 ! Y56    T95  
assi (resi   56  and name HD#  ) (resi   96  and name HG2# ) 5.0 6.7 5.5 ! Y56    V96  
assi (resi   56  and name HE#  ) (resi   78  and name HG1# ) 5.0 7.7 6.5 ! Y56    V78  
assi (resi   56  and name HE#  ) (resi   78  and name HG2# ) 5.0 7.7 6.5 ! Y56    V78  
assi (resi   56  and name HN   ) (resi   56  and name HE#  ) 5.0 6.2 5.0 ! Y56   
assi (resi   56  and name HN   ) (resi   57  and name HN   ) 5.0 3.2 2.0 
assi (resi   56  and name HN   ) (resi   57  and name HA#  ) 5.0 4.2 3.0 ! G57   
assi (resi   56  and name HN   ) (resi   77  and name HB1  ) 5.0 3.2 2.0 
assi (resi   56  and name HD#  ) (resi   78  and name HN   ) 5.0 5.2 4.0 ! Y56   
assi (resi   56  and name HE#  ) (resi   77  and name HN   ) 5.0 6.2 5.0 ! Y56   
assi (resi   56  and name HE#  ) (resi   78  and name HN   ) 5.0 6.2 5.0 ! Y56   
! residue G57 
assi (resi   57  and name HN   ) (resi   58  and name HA   ) 4.0 2.2 1.0 
assi (resi   57  and name HN   ) (resi   58  and name HD#  ) 5.0 4.2 3.0 ! P58   
assi (resi   57  and name HN   ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assi (resi   57  and name HN   ) (resi   94  and name HA   ) 4.0 2.2 1.0 
assi (resi   57  and name HN   ) (resi   94  and name HB   ) 5.0 3.2 2.0 
assi (resi   57  and name HN   ) (resi   94  and name HG1# ) 5.0 4.7 3.5 ! V94   
assi (resi   57  and name HN   ) (resi   95  and name HN   ) 3.0 1.2 0.5 
assi (resi   57  and name HN   ) (resi   95  and name HB   ) 5.0 3.2 2.0 
assi (resi   57  and name HN   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   57  and name HN   ) (resi   96  and name HA   ) 4.0 2.2 1.0 
assi (resi   57  and name HA1  ) (resi   74  and name HA   ) 4.0 2.2 1.0 
assi (resi   57  and name HA1  ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assi (resi   57  and name HA1  ) (resi   75  and name HG2# ) 4.0 3.7 2.5 ! V75   
assi (resi   57  and name HA2  ) (resi   74  and name HA   ) 4.0 2.2 1.0 
assi (resi   57  and name HA2  ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assi (resi   57  and name HA2  ) (resi   75  and name HG2# ) 4.0 3.7 2.5 ! V75   
assi (resi   57  and name HA#  ) (resi   73  and name HN   ) 5.0 4.2 3.0 ! G57   
assi (resi   57  and name HA#  ) (resi   74  and name HA   ) 3.0 2.2 1.5 ! G57   
assi (resi   57  and name HA#  ) (resi   75  and name HN   ) 3.0 2.2 1.5 ! G57   
assi (resi   57  and name HA#  ) (resi   75  and name HB   ) 5.0 4.2 3.0 ! G57   
assi (resi   57  and name HA#  ) (resi   75  and name HG2# ) 4.0 4.7 3.5 ! G57    V75  
assi (resi   57  and name HN   ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assi (resi   57  and name HN   ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assi (resi   57  and name HN   ) (resi   72  and name HD#  ) 5.0 5.2 4.0 ! Y72   
assi (resi   57  and name HN   ) (resi   72  and name HE#  ) 5.0 6.2 5.0 ! Y72   
assi (resi   57  and name HN   ) (resi   75  and name HB   ) 5.0 3.2 2.0 
assi (resi   57  and name HA#  ) (resi   76  and name HN   ) 5.0 4.2 3.0 ! G57   
! residue P58 
assi (resi   58  and name HA   ) (resi   59  and name HN   ) 2.7 0.9 0.2 
assi (resi   58  and name HA   ) (resi   59  and name HB#  ) 5.0 4.7 3.5 ! A59   
assi (resi   58  and name HA   ) (resi   94  and name HA   ) 2.7 0.9 0.2 
assi (resi   58  and name HA   ) (resi   94  and name HG1# ) 5.0 4.7 3.5 ! V94   
assi (resi   58  and name HB#  ) (resi   59  and name HN   ) 4.0 3.2 2.0 ! P58   
assi (resi   58  and name HG#  ) (resi   72  and name HE#  ) 5.0 7.2 6.0 ! P58    Y72  
assi (resi   58  and name HD#  ) (resi   59  and name HN   ) 4.0 3.2 2.0 ! P58   
assi (resi   58  and name HD#  ) (resi   75  and name HN   ) 5.0 4.2 3.0 ! P58   
assi (resi   58  and name HD#  ) (resi   73  and name HN   ) 5.0 4.2 3.0 ! P58   
! residue A59 
assi (resi   59  and name HN   ) (resi   59  and name HA   ) 2.7 0.9 0.2 
assi (resi   59  and name HN   ) (resi   60  and name HB#  ) 4.0 3.2 2.0 ! R60   
assi (resi   59  and name HN   ) (resi   60  and name HG#  ) 5.0 4.2 3.0 ! R60   
assi (resi   59  and name HN   ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assi (resi   59  and name HN   ) (resi   94  and name HA   ) 4.0 2.2 1.0 
assi (resi   59  and name HN   ) (resi   94  and name HB   ) 4.0 2.2 1.0 
assi (resi   59  and name HN   ) (resi   94  and name HG2# ) 5.0 4.7 3.5 ! V94   
assi (resi   59  and name HN   ) (resi   95  and name HB   ) 5.0 3.2 2.0 
assi (resi   59  and name HN   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   59  and name HA   ) (resi   60  and name HN   ) 2.7 0.9 0.2 
assi (resi   59  and name HA   ) (resi   71  and name HB2  ) 4.0 2.2 1.0 
assi (resi   59  and name HA   ) (resi   72  and name HA   ) 2.7 0.9 0.2 
assi (resi   59  and name HA   ) (resi   72  and name HB1  ) 3.0 1.2 0.5 
assi (resi   59  and name HA   ) (resi   72  and name HB2  ) 3.0 1.2 0.5 
assi (resi   59  and name HA   ) (resi   95  and name HB   ) 2.7 0.9 0.2 
assi (resi   59  and name HB#  ) (resi   72  and name HN   ) 5.0 4.7 3.5 ! A59   
assi (resi   59  and name HB#  ) (resi   72  and name HB2  ) 5.0 4.7 3.5 ! A59   
assi (resi   59  and name HB#  ) (resi   94  and name HN   ) 5.0 4.7 3.5 ! A59   
assi (resi   59  and name HB#  ) (resi   95  and name HB   ) 4.0 3.7 2.5 ! A59   
! residue R60 
assi (resi   60  and name HN   ) (resi   60  and name HB1  ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   60  and name HB2  ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   61  and name HN   ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   61  and name HA   ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   61  and name HG#  ) 5.0 4.2 3.0 ! K61   
assi (resi   60  and name HN   ) (resi   62  and name HG2# ) 5.0 4.7 3.5 ! V62   
assi (resi   60  and name HN   ) (resi   71  and name HA   ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   72  and name HA   ) 2.7 0.9 0.2 
assi (resi   60  and name HN   ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assi (resi   60  and name HN   ) (resi   72  and name HB2  ) 4.0 2.2 1.0 
assi (resi   60  and name HN   ) (resi   73  and name HN   ) 4.0 2.2 1.0 
assi (resi   60  and name HA   ) (resi   60  and name HB1  ) 2.7 0.9 0.2 
assi (resi   60  and name HA   ) (resi   60  and name HB2  ) 2.7 0.9 0.2 
assi (resi   60  and name HA   ) (resi   60  and name HB#  ) 2.7 1.9 1.2 ! R60   
assi (resi   60  and name HA   ) (resi   60  and name HG1  ) 4.0 2.2 1.0 
assi (resi   60  and name HA   ) (resi   60  and name HG2  ) 4.0 2.2 1.0 
assi (resi   60  and name HA   ) (resi   60  and name HG#  ) 4.0 3.2 2.0 ! R60   
assi (resi   60  and name HA   ) (resi   61  and name HN   ) 2.7 0.9 0.2 
assi (resi   60  and name HA   ) (resi   72  and name HD#  ) 5.0 5.2 4.0 ! Y72   
assi (resi   60  and name HN   ) (resi   72  and name HD#  ) 5.0 5.2 4.0 ! Y72   
assi (resi   60  and name HN   ) (resi   95  and name HB   ) 5.0 3.2 2.0 
! residue K61 
assi (resi   61  and name HN   ) (resi   61  and name HB#  ) 3.0 2.2 1.5 ! K61   
assi (resi   61  and name HN   ) (resi   61  and name HG#  ) 4.0 3.2 2.0 ! K61   
assi (resi   61  and name HN   ) (resi   62  and name HG2# ) 5.0 4.7 3.5 ! V62   
assi (resi   61  and name HN   ) (resi   72  and name HB2  ) 5.0 3.2 2.0 
assi (resi   61  and name HA   ) (resi   61  and name HB#  ) 2.7 1.9 1.2 ! K61   
assi (resi   61  and name HA   ) (resi   62  and name HN   ) 2.7 0.9 0.2 
assi (resi   61  and name HA   ) (resi   62  and name HG2# ) 5.0 4.7 3.5 ! V62   
assi (resi   61  and name HA   ) (resi   63  and name HN   ) 3.0 1.2 0.5 
assi (resi   61  and name HB1  ) (resi   61  and name HE#  ) 5.0 4.2 3.0 ! K61   
assi (resi   61  and name HB1  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assi (resi   61  and name HB2  ) (resi   61  and name HE#  ) 5.0 4.2 3.0 ! K61   
assi (resi   61  and name HB2  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assi (resi   61  and name HB#  ) (resi   61  and name HE#  ) 5.0 5.2 4.0 ! K61    K61  
assi (resi   61  and name HB#  ) (resi   62  and name HN   ) 4.0 3.2 2.0 ! K61   
assi (resi   61  and name HG1  ) (resi   62  and name HN   ) 5.0 3.2 2.0 
assi (resi   61  and name HG1  ) (resi   72  and name HN   ) 5.0 3.2 2.0 
assi (resi   61  and name HG1  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assi (resi   61  and name HG2  ) (resi   62  and name HN   ) 5.0 3.2 2.0 
assi (resi   61  and name HG2  ) (resi   72  and name HN   ) 5.0 3.2 2.0 
assi (resi   61  and name HG2  ) (resi   72  and name HA   ) 4.0 2.2 1.0 
assi (resi   61  and name HG#  ) (resi   62  and name HN   ) 5.0 4.2 3.0 ! K61   
assi (resi   61  and name HG#  ) (resi   72  and name HN   ) 5.0 4.2 3.0 ! K61   
assi (resi   61  and name HG#  ) (resi   73  and name HA   ) 5.0 4.2 3.0 ! K61   
assi (resi   61  and name HN   ) (resi   71  and name HB1  ) 5.0 3.2 2.0 
assi (resi   61  and name HN   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
assi (resi   61  and name HB#  ) (resi   72  and name HN   ) 5.0 4.2 3.0 ! K61   
! residue V62 
assi (resi   62  and name HN   ) (resi   62  and name HB   ) 4.0 2.2 1.0 
assi (resi   62  and name HN   ) (resi   62  and name HG2# ) 4.0 3.7 2.5 ! V62   
assi (resi   62  and name HN   ) (resi   71  and name HE21 ) 5.0 3.2 2.0 
assi (resi   62  and name HN   ) (resi   71  and name HE22 ) 5.0 3.2 2.0 
assi (resi   62  and name HN   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
assi (resi   62  and name HA   ) (resi   62  and name HB   ) 2.7 0.9 0.2 
assi (resi   62  and name HB   ) (resi   63  and name HN   ) 3.0 1.2 0.5 
assi (resi   62  and name HB   ) (resi   63  and name HB   ) 4.0 2.2 1.0 
assi (resi   62  and name HB   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
assi (resi   62  and name HG1# ) (resi   71  and name HE21 ) 5.0 4.7 3.5 ! V62   
assi (resi   62  and name HG1# ) (resi   71  and name HE22 ) 5.0 4.7 3.5 ! V62   
assi (resi   62  and name HG1# ) (resi   71  and name HE2# ) 5.0 5.7 4.5 ! V62    Q71  
assi (resi   62  and name HG2# ) (resi   63  and name HN   ) 4.0 3.7 2.5 ! V62   
assi (resi   62  and name HN   ) (resi   69  and name HB#  ) 5.0 4.2 3.0 ! C69   
! residue T63 
assi (resi   63  and name HN   ) (resi   63  and name HA   ) 2.7 0.9 0.2 
assi (resi   63  and name HN   ) (resi   63  and name HB   ) 3.0 1.2 0.5 
assi (resi   63  and name HA   ) (resi   63  and name HB   ) 2.7 0.9 0.2 
assi (resi   63  and name HA   ) (resi   64  and name HN   ) 2.7 0.9 0.2 
assi (resi   63  and name HB   ) (resi   64  and name HN   ) 4.0 2.2 1.0 
assi (resi   63  and name HG2# ) (resi   64  and name HN   ) 5.0 4.7 3.5 ! T63   
assi (resi   63  and name HN   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
! residue C64 
assi (resi   64  and name HN   ) (resi   64  and name HB1  ) 3.0 1.2 0.5 
assi (resi   64  and name HN   ) (resi   64  and name HB2  ) 3.0 1.2 0.5 
assi (resi   64  and name HA   ) (resi   64  and name HB1  ) 2.7 0.9 0.2 
assi (resi   64  and name HA   ) (resi   64  and name HB2  ) 2.7 0.9 0.2 
assi (resi   64  and name HA   ) (resi   65  and name HN   ) 2.7 0.9 0.2 
assi (resi   64  and name HA   ) (resi   65  and name HG1# ) 5.0 4.7 3.5 ! V65   
assi (resi   64  and name HA   ) (resi   66  and name HN   ) 4.0 2.2 1.0 
assi (resi   64  and name HA   ) (resi   69  and name HA   ) 4.0 2.2 1.0 
assi (resi   64  and name HB1  ) (resi   65  and name HN   ) 4.0 2.2 1.0 
assi (resi   64  and name HB1  ) (resi   66  and name HN   ) 3.0 1.2 0.5 
assi (resi   64  and name HB2  ) (resi   65  and name HN   ) 4.0 2.2 1.0 
assi (resi   64  and name HB2  ) (resi   66  and name HN   ) 3.0 1.2 0.5 
assi (resi   64  and name HB#  ) (resi   67  and name HN   ) 4.0 3.2 2.0 ! C64   
assi (resi   64  and name HB#  ) (resi   67  and name HA   ) 2.7 1.9 1.2 ! C64   
assi (resi   64  and name HB#  ) (resi   69  and name HN   ) 2.7 1.9 1.2 ! C64   
assi (resi   64  and name HB#  ) (resi   69  and name HA   ) 4.0 3.2 2.0 ! C64   
assi (resi   64  and name HB#  ) (resi   69  and name HB#  ) 4.0 4.2 3.0 ! C64    C69  
assi (resi   64  and name HB#  ) (resi   70  and name HN   ) 5.0 4.2 3.0 ! C64   
assi (resi   64  and name HN   ) (resi   66  and name HN   ) 5.0 3.2 2.0 
! residue V65 
assi (resi   65  and name HN   ) (resi   65  and name HB   ) 4.0 2.2 1.0 
assi (resi   65  and name HN   ) (resi   65  and name HG1# ) 4.0 3.7 2.5 ! V65   
assi (resi   65  and name HN   ) (resi   66  and name HN   ) 2.7 0.9 0.2 
assi (resi   65  and name HN   ) (resi   66  and name HA   ) 4.0 2.2 1.0 
assi (resi   65  and name HN   ) (resi   66  and name HG#  ) 5.0 4.2 3.0 ! R66   
assi (resi   65  and name HN   ) (resi   69  and name HA   ) 4.0 2.2 1.0 
assi (resi   65  and name HA   ) (resi   65  and name HB   ) 2.7 0.9 0.2 
assi (resi   65  and name HA   ) (resi   66  and name HN   ) 3.0 1.2 0.5 
assi (resi   65  and name HB   ) (resi   66  and name HN   ) 4.0 2.2 1.0 
assi (resi   65  and name HG1# ) (resi   70  and name HE#  ) 5.0 7.7 6.5 ! V65    Y70  
assi (resi   65  and name HG2# ) (resi   66  and name HN   ) 5.0 4.7 3.5 ! V65   
assi (resi   65  and name HN   ) (resi   66  and name HB#  ) 5.0 4.2 3.0 ! R66   
assi (resi   65  and name HN   ) (resi   67  and name HA   ) 5.0 3.2 2.0 
! residue R66 
assi (resi   66  and name HN   ) (resi   66  and name HB#  ) 4.0 3.2 2.0 ! R66   
assi (resi   66  and name HN   ) (resi   66  and name HG#  ) 5.0 4.2 3.0 ! R66   
assi (resi   66  and name HN   ) (resi   66  and name HD#  ) 5.0 4.2 3.0 ! R66   
assi (resi   66  and name HN   ) (resi   67  and name HN   ) 4.0 2.2 1.0 
assi (resi   66  and name HN   ) (resi   67  and name HA   ) 4.0 2.2 1.0 
assi (resi   66  and name HA   ) (resi   66  and name HB#  ) 2.7 1.9 1.2 ! R66   
assi (resi   66  and name HA   ) (resi   66  and name HG#  ) 4.0 3.2 2.0 ! R66   
assi (resi   66  and name HA   ) (resi   66  and name HD#  ) 5.0 4.2 3.0 ! R66   
assi (resi   66  and name HA   ) (resi   67  and name HN   ) 2.7 0.9 0.2 
assi (resi   66  and name HA   ) (resi   68  and name HD#  ) 5.0 4.2 3.0 ! P68   
assi (resi   66  and name HB#  ) (resi   67  and name HN   ) 4.0 3.2 2.0 ! R66   
assi (resi   66  and name HG#  ) (resi   70  and name HE#  ) 5.0 7.2 6.0 ! R66    Y70  
! residue F67 
assi (resi   67  and name HN   ) (resi   67  and name HB1  ) 3.0 1.2 0.5 
assi (resi   67  and name HN   ) (resi   67  and name HB2  ) 3.0 1.2 0.5 
assi (resi   67  and name HN   ) (resi   67  and name HB#  ) 2.7 1.9 1.2 ! F67   
assi (resi   67  and name HN   ) (resi   69  and name HN   ) 4.0 2.2 1.0 
assi (resi   67  and name HN   ) (resi   69  and name HB#  ) 4.0 3.2 2.0 ! C69   
assi (resi   67  and name HA   ) (resi   67  and name HB1  ) 2.7 0.9 0.2 
assi (resi   67  and name HA   ) (resi   67  and name HB2  ) 2.7 0.9 0.2 
assi (resi   67  and name HA   ) (resi   67  and name HB#  ) 2.7 1.9 1.2 ! F67   
assi (resi   67  and name HD#  ) (resi   68  and name HG#  ) 5.0 6.2 5.0 ! F67    P68  
assi (resi   67  and name HN   ) (resi   68  and name HD#  ) 5.0 4.2 3.0 ! P68   
! residue P68 
assi (resi   68  and name HA   ) (resi   69  and name HN   ) 3.0 1.2 0.5 
! residue C69 
assi (resi   69  and name HB#  ) (resi   69  and name HN   ) 4.0 3.2 2.0 ! C69   
assi (resi   69  and name HN   ) (resi   69  and name HB#  ) 3.0 2.2 1.5 ! C69   
assi (resi   69  and name HN   ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assi (resi   69  and name HN   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
assi (resi   69  and name HA   ) (resi   69  and name HB1  ) 2.7 0.9 0.2 
assi (resi   69  and name HA   ) (resi   69  and name HB2  ) 2.7 0.9 0.2 
assi (resi   69  and name HA   ) (resi   70  and name HN   ) 2.7 0.9 0.2 
assi (resi   69  and name HB1  ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assi (resi   69  and name HB1  ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assi (resi   69  and name HB#  ) (resi   71  and name HE2# ) 5.0 5.2 4.0 ! C69    Q71  
assi (resi   69  and name HB2  ) (resi   70  and name HN   ) 4.0 2.2 1.0 
assi (resi   69  and name HB2  ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assi (resi   69  and name HA   ) (resi   71  and name HN   ) 5.0 3.2 2.0 
! residue Y70 
assi (resi   70  and name HN   ) (resi   70  and name HB1  ) 3.0 1.2 0.5 
assi (resi   70  and name HN   ) (resi   70  and name HB2  ) 3.0 1.2 0.5 
assi (resi   70  and name HN   ) (resi   70  and name HE#  ) 5.0 6.2 5.0 ! Y70   
assi (resi   70  and name HN   ) (resi   73  and name HA   ) 5.0 3.2 2.0 
assi (resi   70  and name HA   ) (resi   70  and name HB2  ) 2.7 0.9 0.2 
assi (resi   70  and name HA   ) (resi   71  and name HN   ) 2.7 0.9 0.2 
assi (resi   70  and name HA   ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assi (resi   70  and name HB1  ) (resi   71  and name HN   ) 4.0 2.2 1.0 
assi (resi   70  and name HB1  ) (resi   72  and name HN   ) 3.0 1.2 0.5 
assi (resi   70  and name HB2  ) (resi   71  and name HN   ) 3.0 1.2 0.5 
assi (resi   70  and name HB2  ) (resi   72  and name HN   ) 3.0 1.2 0.5 
assi (resi   70  and name HD#  ) (resi   72  and name HE#  ) 5.0 8.2 7.0 ! Y70    Y72  
assi (resi   70  and name HD#  ) (resi   73  and name HA   ) 4.0 4.2 3.0 ! Y70   
assi (resi   70  and name HD#  ) (resi   74  and name HG2# ) 5.0 6.7 5.5 ! Y70    T74  
assi (resi   70  and name HN   ) (resi   72  and name HB1  ) 5.0 3.2 2.0 
assi (resi   70  and name HD#  ) (resi   73  and name HN   ) 5.0 5.2 4.0 ! Y70   
! residue Q71 
assi (resi   71  and name HN   ) (resi   71  and name HA   ) 2.7 0.9 0.2 
assi (resi   71  and name HN   ) (resi   71  and name HB1  ) 3.0 1.2 0.5 
assi (resi   71  and name HN   ) (resi   71  and name HG1  ) 4.0 2.2 1.0 
assi (resi   71  and name HN   ) (resi   71  and name HG2  ) 4.0 2.2 1.0 
assi (resi   71  and name HN   ) (resi   71  and name HG#  ) 4.0 3.2 2.0 ! Q71   
assi (resi   71  and name HN   ) (resi   71  and name HE21 ) 5.0 3.2 2.0 
assi (resi   71  and name HN   ) (resi   71  and name HE22 ) 5.0 3.2 2.0 
assi (resi   71  and name HN   ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assi (resi   71  and name HA   ) (resi   71  and name HB1  ) 2.7 0.9 0.2 
assi (resi   71  and name HA   ) (resi   71  and name HB2  ) 2.7 0.9 0.2 
assi (resi   71  and name HA   ) (resi   71  and name HG1  ) 4.0 2.2 1.0 
assi (resi   71  and name HA   ) (resi   71  and name HG2  ) 4.0 2.2 1.0 
assi (resi   71  and name HA   ) (resi   71  and name HE21 ) 5.0 3.2 2.0 
assi (resi   71  and name HA   ) (resi   71  and name HE22 ) 5.0 3.2 2.0 
assi (resi   71  and name HA   ) (resi   71  and name HE2# ) 5.0 4.2 3.0 ! Q71   
assi (resi   71  and name HA   ) (resi   72  and name HN   ) 3.0 1.2 0.5 
assi (resi   71  and name HB1  ) (resi   72  and name HB1  ) 3.0 1.2 0.5 
assi (resi   71  and name HB2  ) (resi   72  and name HN   ) 4.0 2.2 1.0 
assi (resi   71  and name HB1  ) (resi   72  and name HN   ) 4.0 2.2 1.0 
! residue Y72 
assi (resi   72  and name HN   ) (resi   72  and name HB1  ) 4.0 2.2 1.0 
assi (resi   72  and name HN   ) (resi   72  and name HB2  ) 4.0 2.2 1.0 
assi (resi   72  and name HN   ) (resi   72  and name HE#  ) 5.0 6.2 5.0 ! Y72   
assi (resi   72  and name HN   ) (resi   73  and name HN   ) 4.0 2.2 1.0 
assi (resi   72  and name HN   ) (resi   73  and name HA   ) 4.0 2.2 1.0 
assi (resi   72  and name HN   ) (resi   74  and name HN   ) 4.0 2.2 1.0 
assi (resi   72  and name HA   ) (resi   72  and name HB1  ) 2.7 0.9 0.2 
assi (resi   72  and name HA   ) (resi   72  and name HB2  ) 2.7 0.9 0.2 
assi (resi   72  and name HA   ) (resi   73  and name HN   ) 2.7 0.9 0.2 
assi (resi   72  and name HA   ) (resi   95  and name HB   ) 4.0 2.2 1.0 
assi (resi   72  and name HB1  ) (resi   73  and name HN   ) 3.0 1.2 0.5 
assi (resi   72  and name HB1  ) (resi   95  and name HB   ) 4.0 2.2 1.0 
assi (resi   72  and name HB1  ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   72  and name HB2  ) (resi   73  and name HN   ) 3.0 1.2 0.5 
assi (resi   72  and name HB2  ) (resi   73  and name HA   ) 4.0 2.2 1.0 
assi (resi   72  and name HB2  ) (resi   95  and name HN   ) 5.0 3.2 2.0 
assi (resi   72  and name HB2  ) (resi   95  and name HB   ) 4.0 2.2 1.0 
assi (resi   72  and name HB2  ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   72  and name HD#  ) (resi   73  and name HN   ) 5.0 5.2 4.0 ! Y72   
assi (resi   72  and name HD#  ) (resi   95  and name HG2# ) 5.0 6.7 5.5 ! Y72    T95  
assi (resi   72  and name HE#  ) (resi   75  and name HB   ) 4.0 5.2 4.0 ! Y72   
assi (resi   72  and name HN   ) (resi   95  and name HA   ) 5.0 3.2 2.0 
assi (resi   72  and name HD#  ) (resi   74  and name HN   ) 5.0 5.2 4.0 ! Y72   
assi (resi   72  and name HD#  ) (resi   75  and name HN   ) 5.0 5.2 4.0 ! Y72   
! residue A73 
assi (resi   73  and name HN   ) (resi   74  and name HN   ) 4.0 2.2 1.0 
assi (resi   73  and name HN   ) (resi   74  and name HA   ) 4.0 2.2 1.0 
assi (resi   73  and name HA   ) (resi   74  and name HN   ) 2.7 0.9 0.2 
assi (resi   73  and name HN   ) (resi   95  and name HB   ) 5.0 3.2 2.0 
assi (resi   73  and name HN   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   73  and name HA   ) (resi   75  and name HN   ) 5.0 3.2 2.0 
! residue T74 
assi (resi   74  and name HN   ) (resi   74  and name HA   ) 2.7 0.9 0.2 
assi (resi   74  and name HN   ) (resi   75  and name HN   ) 4.0 2.2 1.0 
assi (resi   74  and name HA   ) (resi   75  and name HN   ) 2.7 0.9 0.2 
assi (resi   74  and name HA   ) (resi   76  and name HN   ) 3.0 1.2 0.5 
assi (resi   74  and name HB   ) (resi   77  and name HN   ) 4.0 2.2 1.0 
assi (resi   74  and name HN   ) (resi   75  and name HA   ) 5.0 3.2 2.0 
! residue V75 
assi (resi   75  and name HN   ) (resi   75  and name HB   ) 3.0 1.2 0.5 
assi (resi   75  and name HN   ) (resi   75  and name HG2# ) 4.0 3.7 2.5 ! V75   
assi (resi   75  and name HN   ) (resi   76  and name HN   ) 2.7 0.9 0.2 
assi (resi   75  and name HA   ) (resi   75  and name HB   ) 2.7 0.9 0.2 
assi (resi   75  and name HB   ) (resi   76  and name HN   ) 3.0 1.2 0.5 
assi (resi   75  and name HG1# ) (resi   76  and name HN   ) 4.0 3.7 2.5 ! V75   
assi (resi   75  and name HG2# ) (resi   76  and name HN   ) 4.0 3.7 2.5 ! V75   
assi (resi   75  and name HN   ) (resi   77  and name HG#  ) 5.0 4.2 3.0 ! K77   
! residue G76 
assi (resi   76  and name HN   ) (resi   77  and name HN   ) 4.0 2.2 1.0 
assi (resi   76  and name HA1  ) (resi   77  and name HN   ) 3.0 1.2 0.5 
assi (resi   76  and name HA2  ) (resi   77  and name HN   ) 3.0 1.2 0.5 
assi (resi   76  and name HA#  ) (resi   77  and name HA   ) 4.0 3.2 2.0 ! G76   
assi (resi   76  and name HA#  ) (resi   78  and name HN   ) 5.0 4.2 3.0 ! G76   
! residue K77 
assi (resi   77  and name HN   ) (resi   77  and name HB2  ) 4.0 2.2 1.0 
assi (resi   77  and name HN   ) (resi   77  and name HG1  ) 5.0 3.2 2.0 
assi (resi   77  and name HN   ) (resi   77  and name HG2  ) 5.0 3.2 2.0 
assi (resi   77  and name HN   ) (resi   77  and name HG#  ) 5.0 4.2 3.0 ! K77   
assi (resi   77  and name HA   ) (resi   77  and name HB1  ) 2.7 0.9 0.2 
assi (resi   77  and name HA   ) (resi   77  and name HG1  ) 4.0 2.2 1.0 
assi (resi   77  and name HA   ) (resi   77  and name HG2  ) 4.0 2.2 1.0 
assi (resi   77  and name HA   ) (resi   77  and name HG#  ) 3.0 2.2 1.5 ! K77   
assi (resi   77  and name HA   ) (resi   78  and name HN   ) 2.7 0.9 0.2 
assi (resi   77  and name HB2  ) (resi   78  and name HN   ) 4.0 2.2 1.0 
assi (resi   77  and name HB2  ) (resi   78  and name HA   ) 3.0 1.2 0.5 
assi (resi   77  and name HB2  ) (resi   79  and name HN   ) 3.0 1.2 0.5 
assi (resi   77  and name HB2  ) (resi   79  and name HA   ) 3.0 1.2 0.5 
assi (resi   77  and name HG#  ) (resi   78  and name HN   ) 5.0 4.2 3.0 ! K77   
assi (resi   77  and name HG#  ) (resi   79  and name HN   ) 5.0 4.2 3.0 ! K77   
assi (resi   77  and name HN   ) (resi   78  and name HN   ) 5.0 3.2 2.0 
! residue V78 
assi (resi   78  and name HN   ) (resi   78  and name HB   ) 3.0 1.2 0.5 
assi (resi   78  and name HN   ) (resi   79  and name HN   ) 4.0 2.2 1.0 
assi (resi   78  and name HN   ) (resi   82  and name HA   ) 4.0 2.2 1.0 
assi (resi   78  and name HA   ) (resi   78  and name HB   ) 2.7 0.9 0.2 
assi (resi   78  and name HA   ) (resi   79  and name HN   ) 2.7 0.9 0.2 
assi (resi   78  and name HB   ) (resi   79  and name HN   ) 4.0 2.2 1.0 
assi (resi   78  and name HB   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   78  and name HG1# ) (resi   79  and name HN   ) 5.0 4.7 3.5 ! V78   
assi (resi   78  and name HG1# ) (resi   82  and name HN   ) 5.0 4.7 3.5 ! V78   
assi (resi   78  and name HG1# ) (resi   83  and name HN   ) 5.0 4.7 3.5 ! V78   
assi (resi   78  and name HG1# ) (resi   84  and name HN   ) 5.0 4.7 3.5 ! V78   
! residue A79 
assi (resi   79  and name HN   ) (resi   80  and name HB1  ) 5.0 3.2 2.0 
assi (resi   79  and name HN   ) (resi   80  and name HB2  ) 5.0 3.2 2.0 
assi (resi   79  and name HN   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   79  and name HA   ) (resi   80  and name HD1  ) 3.0 1.2 0.5 
assi (resi   79  and name HA   ) (resi   80  and name HD2  ) 3.0 1.2 0.5 
assi (resi   79  and name HA   ) (resi   80  and name HD#  ) 3.0 2.2 1.5 ! P80   
assi (resi   79  and name HA   ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assi (resi   79  and name HB#  ) (resi   80  and name HA   ) 4.0 3.7 2.5 ! A79   
assi (resi   79  and name HB#  ) (resi   80  and name HB#  ) 5.0 5.7 4.5 ! A79    P80  
assi (resi   79  and name HB#  ) (resi   80  and name HD1  ) 4.0 3.7 2.5 ! A79   
assi (resi   79  and name HB#  ) (resi   80  and name HD2  ) 4.0 3.7 2.5 ! A79   
assi (resi   79  and name HB#  ) (resi   80  and name HD#  ) 4.0 4.7 3.5 ! A79    P80  
assi (resi   79  and name HB#  ) (resi   82  and name HN   ) 5.0 4.7 3.5 ! A79   
assi (resi   79  and name HN   ) (resi   80  and name HD#  ) 5.0 4.2 3.0 ! P80   
! residue P80 
assi (resi   80  and name HA   ) (resi   81  and name HN   ) 2.7 0.9 0.2 
assi (resi   80  and name HA   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   80  and name HB1  ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assi (resi   80  and name HB1  ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   80  and name HB2  ) (resi   81  and name HN   ) 4.0 2.2 1.0 
assi (resi   80  and name HB2  ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   80  and name HB#  ) (resi   81  and name HN   ) 4.0 3.2 2.0 ! P80   
assi (resi   80  and name HB#  ) (resi   82  and name HN   ) 4.0 3.2 2.0 ! P80   
assi (resi   80  and name HB#  ) (resi   83  and name HN   ) 4.0 3.2 2.0 ! P80   
assi (resi   80  and name HB#  ) (resi   87  and name HN   ) 5.0 4.2 3.0 ! P80   
! residue G81 
assi (resi   81  and name HN   ) (resi   82  and name HN   ) 4.0 2.2 1.0 
assi (resi   81  and name HN   ) (resi   82  and name HB#  ) 5.0 4.7 3.5 ! A82   
assi (resi   81  and name HA#  ) (resi   87  and name HN   ) 4.0 3.2 2.0 ! G81   
assi (resi   81  and name HA#  ) (resi   86  and name HN   ) 5.0 4.2 3.0 ! G81   
! residue A82 
assi (resi   82  and name HN   ) (resi   83  and name HE2# ) 5.0 4.2 3.0 ! Q83   
assi (resi   82  and name HA   ) (resi   83  and name HN   ) 2.7 0.9 0.2 
assi (resi   82  and name HB#  ) (resi   83  and name HN   ) 4.0 3.7 2.5 ! A82   
assi (resi   82  and name HB#  ) (resi   83  and name HE21 ) 5.0 4.7 3.5 ! A82   
assi (resi   82  and name HB#  ) (resi   83  and name HE22 ) 5.0 4.7 3.5 ! A82   
assi (resi   82  and name HB#  ) (resi   83  and name HE2# ) 5.0 5.7 4.5 ! A82    Q83  
assi (resi   82  and name HB#  ) (resi   84  and name HN   ) 5.0 4.7 3.5 ! A82   
assi (resi   82  and name HB#  ) (resi   84  and name HA   ) 5.0 4.7 3.5 ! A82   
assi (resi   82  and name HN   ) (resi   85  and name HA   ) 4.0 2.2 1.0 
! residue Q83 
assi (resi   83  and name HN   ) (resi   83  and name HB#  ) 4.0 3.2 2.0 ! Q83   
assi (resi   83  and name HN   ) (resi   83  and name HG#  ) 5.0 4.2 3.0 ! Q83   
assi (resi   83  and name HA   ) (resi   83  and name HB1  ) 2.7 0.9 0.2 
assi (resi   83  and name HA   ) (resi   83  and name HB2  ) 2.7 0.9 0.2 
assi (resi   83  and name HA   ) (resi   83  and name HB#  ) 2.7 1.9 1.2 ! Q83   
assi (resi   83  and name HA   ) (resi   84  and name HN   ) 3.0 1.2 0.5 
assi (resi   83  and name HB1  ) (resi   83  and name HE21 ) 5.0 3.2 2.0 
assi (resi   83  and name HB1  ) (resi   83  and name HE22 ) 5.0 3.2 2.0 
assi (resi   83  and name HB2  ) (resi   83  and name HE21 ) 5.0 3.2 2.0 
assi (resi   83  and name HB2  ) (resi   83  and name HE22 ) 5.0 3.2 2.0 
assi (resi   83  and name HB#  ) (resi   84  and name HN   ) 4.0 3.2 2.0 ! Q83   
assi (resi   83  and name HE21 ) (resi   84  and name HB1  ) 5.0 3.2 2.0 
assi (resi   83  and name HE22 ) (resi   84  and name HB1  ) 5.0 3.2 2.0 
assi (resi   83  and name HE2# ) (resi   84  and name HN   ) 5.0 4.2 3.0 ! Q83   
assi (resi   83  and name HN   ) (resi   84  and name HG   ) 5.0 3.2 2.0 
assi (resi   83  and name HG#  ) (resi   84  and name HN   ) 5.0 4.2 3.0 ! Q83   
! residue L84 
assi (resi   84  and name HN   ) (resi   84  and name HB1  ) 4.0 2.2 1.0 
assi (resi   84  and name HN   ) (resi   84  and name HB2  ) 3.0 1.2 0.5 
assi (resi   84  and name HN   ) (resi   84  and name HD1# ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HA   ) (resi   84  and name HB1  ) 2.7 0.9 0.2 
assi (resi   84  and name HA   ) (resi   84  and name HB2  ) 2.7 0.9 0.2 
assi (resi   84  and name HA   ) (resi   84  and name HD2# ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HA   ) (resi   85  and name HN   ) 2.7 0.9 0.2 
assi (resi   84  and name HA   ) (resi   85  and name HA   ) 4.0 2.2 1.0 
assi (resi   84  and name HA   ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assi (resi   84  and name HB1  ) (resi   85  and name HN   ) 4.0 2.2 1.0 
assi (resi   84  and name HB1  ) (resi   85  and name HA   ) 5.0 3.2 2.0 
assi (resi   84  and name HB2  ) (resi   85  and name HN   ) 4.0 2.2 1.0 
assi (resi   84  and name HG   ) (resi   85  and name HN   ) 4.0 2.2 1.0 
assi (resi   84  and name HG   ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assi (resi   84  and name HG   ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assi (resi   84  and name HD1# ) (resi   86  and name HN   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HD2# ) (resi   85  and name HN   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HD2# ) (resi   86  and name HN   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HD2# ) (resi   87  and name HN   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HD2# ) (resi   87  and name HA   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HD2# ) (resi   89  and name HN   ) 5.0 4.7 3.5 ! L84   
assi (resi   84  and name HN   ) (resi   85  and name HA   ) 5.0 3.2 2.0 
assi (resi   84  and name HB2  ) (resi   86  and name HN   ) 5.0 3.2 2.0 
assi (resi   84  and name HG   ) (resi   87  and name HN   ) 5.0 3.2 2.0 
assi (resi   84  and name HD1# ) (resi   87  and name HN   ) 5.0 4.7 3.5 ! L84   
! residue R85 
assi (resi   85  and name HN   ) (resi   85  and name HB1  ) 3.0 1.2 0.5 
assi (resi   85  and name HN   ) (resi   85  and name HB2  ) 3.0 1.2 0.5 
assi (resi   85  and name HN   ) (resi   85  and name HG1  ) 5.0 3.2 2.0 
assi (resi   85  and name HN   ) (resi   85  and name HG2  ) 5.0 3.2 2.0 
assi (resi   85  and name HN   ) (resi   85  and name HG#  ) 4.0 3.2 2.0 ! R85   
assi (resi   85  and name HN   ) (resi   86  and name HN   ) 3.0 1.2 0.5 
assi (resi   85  and name HA   ) (resi   85  and name HB1  ) 2.7 0.9 0.2 
assi (resi   85  and name HA   ) (resi   85  and name HG#  ) 4.0 3.2 2.0 ! R85   
assi (resi   85  and name HB1  ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assi (resi   85  and name HB2  ) (resi   86  and name HN   ) 4.0 2.2 1.0 
assi (resi   85  and name HG#  ) (resi   86  and name HB#  ) 5.0 5.2 4.0 ! R85    S86  
assi (resi   85  and name HN   ) (resi   85  and name HA   ) 4.0 2.2 1.0 
assi (resi   85  and name HN   ) (resi   85  and name HD#  ) 5.0 4.2 3.0 ! R85   
assi (resi   85  and name HN   ) (resi   86  and name HA   ) 5.0 3.2 2.0 
assi (resi   85  and name HG#  ) (resi   86  and name HN   ) 5.0 4.2 3.0 ! R85   
! residue S86 
assi (resi   86  and name HN   ) (resi   87  and name HA   ) 4.0 2.2 1.0 
assi (resi   86  and name HA   ) (resi   87  and name HN   ) 2.7 0.9 0.2 
assi (resi   86  and name HA   ) (resi   87  and name HG   ) 4.0 2.2 1.0 
assi (resi   86  and name HB#  ) (resi   87  and name HN   ) 4.0 3.2 2.0 ! S86   
assi (resi   86  and name HN   ) (resi   87  and name HN   ) 5.0 3.2 2.0 
! residue L87 
assi (resi   87  and name HN   ) (resi   87  and name HG   ) 4.0 2.2 1.0 
assi (resi   87  and name HN   ) (resi   87  and name HD2# ) 5.0 4.7 3.5 ! L87   
assi (resi   87  and name HN   ) (resi   88  and name HD#  ) 5.0 4.2 3.0 ! P88   
assi (resi   87  and name HA   ) (resi   87  and name HD2# ) 4.0 3.7 2.5 ! L87   
assi (resi   87  and name HA   ) (resi   88  and name HB#  ) 4.0 3.2 2.0 ! P88   
assi (resi   87  and name HA   ) (resi   88  and name HD1  ) 3.0 1.2 0.5 
assi (resi   87  and name HA   ) (resi   88  and name HD2  ) 3.0 1.2 0.5 
assi (resi   87  and name HA   ) (resi   88  and name HD#  ) 2.7 1.9 1.2 ! P88   
assi (resi   87  and name HB#  ) (resi   88  and name HD1  ) 5.0 4.2 3.0 ! L87   
assi (resi   87  and name HB#  ) (resi   88  and name HD2  ) 5.0 4.2 3.0 ! L87   
assi (resi   87  and name HB#  ) (resi   88  and name HD#  ) 5.0 5.2 4.0 ! L87    P88  
! residue P88 
assi (resi   88  and name HA   ) (resi   89  and name HN   ) 3.0 1.2 0.5 
assi (resi   88  and name HA   ) (resi   90  and name HD#  ) 5.0 4.2 3.0 ! P90   
assi (resi   88  and name HB1  ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assi (resi   88  and name HB2  ) (resi   89  and name HN   ) 4.0 2.2 1.0 
assi (resi   88  and name HB#  ) (resi   89  and name HN   ) 4.0 3.2 2.0 ! P88   
! residue S89 
assi (resi   89  and name HN   ) (resi   89  and name HB#  ) 3.0 2.2 1.5 ! S89   
assi (resi   89  and name HN   ) (resi   90  and name HD#  ) 5.0 4.2 3.0 ! P90   
assi (resi   89  and name HA   ) (resi   89  and name HB#  ) 2.7 1.9 1.2 ! S89   
assi (resi   89  and name HB#  ) (resi   90  and name HA   ) 4.0 3.2 2.0 ! S89   
! residue P90 
assi (resi   90  and name HA   ) (resi   91  and name HN   ) 2.7 0.9 0.2 
assi (resi   90  and name HA   ) (resi   92  and name HN   ) 4.0 2.2 1.0 
assi (resi   90  and name HB1  ) (resi   91  and name HN   ) 4.0 2.2 1.0 
assi (resi   90  and name HB2  ) (resi   91  and name HN   ) 4.0 2.2 1.0 
assi (resi   90  and name HB#  ) (resi   91  and name HA#  ) 4.0 4.2 3.0 ! P90    G91  
! residue G91 
assi (resi   91  and name HN   ) (resi   92  and name HN   ) 4.0 2.2 1.0 
assi (resi   91  and name HN   ) (resi   92  and name HB#  ) 5.0 4.7 3.5 ! A92   
assi (resi   91  and name HA1  ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assi (resi   91  and name HA1  ) (resi   92  and name HB#  ) 5.0 4.7 3.5 ! A92   
assi (resi   91  and name HA2  ) (resi   92  and name HN   ) 3.0 1.2 0.5 
assi (resi   91  and name HA2  ) (resi   92  and name HB#  ) 5.0 4.7 3.5 ! A92   
assi (resi   91  and name HA#  ) (resi   92  and name HB#  ) 5.0 5.7 4.5 ! G91    A92  
assi (resi   91  and name HN   ) (resi   94  and name HG1# ) 5.0 4.7 3.5 ! V94   
! residue A92 
assi (resi   92  and name HN   ) (resi   93  and name HN   ) 3.0 1.2 0.5 
assi (resi   92  and name HA   ) (resi   93  and name HN   ) 2.7 0.9 0.2 
assi (resi   92  and name HB#  ) (resi   93  and name HB   ) 5.0 4.7 3.5 ! A92   
assi (resi   92  and name HN   ) (resi   93  and name HG2# ) 5.0 4.7 3.5 ! T93   
assi (resi   92  and name HN   ) (resi   94  and name HB   ) 5.0 3.2 2.0 
assi (resi   92  and name HN   ) (resi   94  and name HG1# ) 5.0 4.7 3.5 ! V94   
assi (resi   92  and name HA   ) (resi   94  and name HN   ) 5.0 3.2 2.0 
! residue T93 
assi (resi   93  and name HN   ) (resi   93  and name HB   ) 3.0 1.2 0.5 
assi (resi   93  and name HN   ) (resi   94  and name HN   ) 3.0 1.2 0.5 
assi (resi   93  and name HA   ) (resi   94  and name HN   ) 2.7 0.9 0.2 
assi (resi   93  and name HB   ) (resi   94  and name HN   ) 4.0 2.2 1.0 
assi (resi   93  and name HN   ) (resi   94  and name HB   ) 5.0 3.2 2.0 
assi (resi   93  and name HG2# ) (resi   94  and name HN   ) 5.0 4.7 3.5 ! T93   
! residue V94 
assi (resi   94  and name HN   ) (resi   94  and name HB   ) 3.0 1.2 0.5 
assi (resi   94  and name HN   ) (resi   95  and name HG2# ) 5.0 4.7 3.5 ! T95   
assi (resi   94  and name HA   ) (resi   95  and name HN   ) 2.7 0.9 0.2 
assi (resi   94  and name HA   ) (resi   95  and name HA   ) 4.0 2.2 1.0 
assi (resi   94  and name HB   ) (resi   95  and name HN   ) 4.0 2.2 1.0 
assi (resi   94  and name HB   ) (resi   95  and name HG2# ) 4.0 3.7 2.5 ! T95   
assi (resi   94  and name HG1# ) (resi   95  and name HN   ) 5.0 4.7 3.5 ! V94   
assi (resi   94  and name HG2# ) (resi   95  and name HA   ) 5.0 4.7 3.5 ! V94   
assi (resi   94  and name HG2# ) (resi   95  and name HB   ) 4.0 3.7 2.5 ! V94   
! residue T95 
assi (resi   95  and name HN   ) (resi   95  and name HB   ) 3.0 1.2 0.5 
assi (resi   95  and name HA   ) (resi   96  and name HN   ) 2.7 0.9 0.2 
assi (resi   95  and name HA   ) (resi   96  and name HB   ) 3.0 1.2 0.5 
assi (resi   95  and name HB   ) (resi   96  and name HN   ) 4.0 2.2 1.0 
assi (resi   95  and name HG2# ) (resi   96  and name HN   ) 4.0 3.7 2.5 ! T95   
! residue V96 
assi (resi   96  and name HN   ) (resi   96  and name HB   ) 4.0 2.2 1.0 
assi (resi   96  and name HA   ) (resi   96  and name HB   ) 2.7 0.9 0.2 
assi (resi   96  and name HA   ) (resi   97  and name HN   ) 2.7 0.9 0.2 
assi (resi   96  and name HB   ) (resi   97  and name HN   ) 4.0 2.2 1.0 
assi (resi   96  and name HG2# ) (resi   97  and name HN   ) 5.0 4.7 3.5 ! V96   
assi (resi   96  and name HG2# ) (resi   97  and name HA#  ) 5.0 5.7 4.5 ! V96    G97  
! residue G97 
assi (resi   97  and name HA1  ) (resi   98  and name HN   ) 3.0 1.2 0.5 
assi (resi   97  and name HA2  ) (resi   98  and name HN   ) 3.0 1.2 0.5 
assi (resi   97  and name HA#  ) (resi   98  and name HN   ) 2.7 1.9 1.2 ! G97   
assi (resi   97  and name HA#  ) (resi   99  and name HN   ) 5.0 4.2 3.0 ! G97   
assi (resi   97  and name HN   ) (resi   98  and name HN   ) 5.0 3.2 2.0 
! residue Q98 
assi (resi   98  and name HN   ) (resi   98  and name HB1  ) 3.0 1.2 0.5 
assi (resi   98  and name HN   ) (resi   98  and name HB2  ) 3.0 1.2 0.5 
assi (resi   98  and name HN   ) (resi   98  and name HG#  ) 5.0 4.2 3.0 ! Q98   
assi (resi   98  and name HA   ) (resi   98  and name HB1  ) 2.7 0.9 0.2 
assi (resi   98  and name HA   ) (resi   98  and name HB2  ) 2.7 0.9 0.2 
assi (resi   98  and name HA   ) (resi   98  and name HE2# ) 5.0 4.2 3.0 ! Q98   
assi (resi   98  and name HA   ) (resi   99  and name HN   ) 2.7 0.9 0.2 
assi (resi   98  and name HA   ) (resi  100  and name HD1# ) 4.0 3.7 2.5 ! L100  
assi (resi   98  and name HB1  ) (resi   99  and name HN   ) 4.0 2.2 1.0 
assi (resi   98  and name HB1  ) (resi   99  and name HA   ) 3.0 1.2 0.5 
assi (resi   98  and name HB1  ) (resi   99  and name HB1  ) 4.0 2.2 1.0 
assi (resi   98  and name HB1  ) (resi   99  and name HB2  ) 4.0 2.2 1.0 
assi (resi   98  and name HB2  ) (resi   98  and name HE21 ) 5.0 3.2 2.0 
assi (resi   98  and name HB2  ) (resi   98  and name HE22 ) 5.0 3.2 2.0 
assi (resi   98  and name HB2  ) (resi   99  and name HN   ) 4.0 2.2 1.0 
assi (resi   98  and name HG#  ) (resi   99  and name HN   ) 5.0 4.2 3.0 ! Q98   
assi (resi   98  and name HE21 ) (resi   99  and name HB1  ) 5.0 3.2 2.0 
assi (resi   98  and name HE21 ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi   98  and name HE22 ) (resi   99  and name HB1  ) 5.0 3.2 2.0 
assi (resi   98  and name HE22 ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi   98  and name HE2# ) (resi   99  and name HB1  ) 5.0 4.2 3.0 ! Q98   
assi (resi   98  and name HE2# ) (resi  100  and name HD1# ) 5.0 5.7 4.5 ! Q98    L100 
assi (resi   98  and name HN   ) (resi   99  and name HN   ) 5.0 3.2 2.0 
assi (resi   98  and name HN   ) (resi  100  and name HN   ) 5.0 3.2 2.0 
assi (resi   98  and name HN   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
! residue D99 
assi (resi   99  and name HN   ) (resi   99  and name HB1  ) 3.0 1.2 0.5 
assi (resi   99  and name HN   ) (resi   99  and name HB2  ) 3.0 1.2 0.5 
assi (resi   99  and name HN   ) (resi  100  and name HN   ) 4.0 2.2 1.0 
assi (resi   99  and name HN   ) (resi  100  and name HD2# ) 5.0 4.7 3.5 ! L100  
assi (resi   99  and name HA   ) (resi   99  and name HB1  ) 2.7 0.9 0.2 
assi (resi   99  and name HA   ) (resi   99  and name HB2  ) 2.7 0.9 0.2 
assi (resi   99  and name HA   ) (resi  100  and name HN   ) 2.7 0.9 0.2 
assi (resi   99  and name HA   ) (resi  101  and name HN   ) 4.0 2.2 1.0 
assi (resi   99  and name HB1  ) (resi  100  and name HN   ) 4.0 2.2 1.0 
assi (resi   99  and name HB2  ) (resi  100  and name HN   ) 4.0 2.2 1.0 
assi (resi   99  and name HB2  ) (resi  101  and name HN   ) 4.0 2.2 1.0 
assi (resi   99  and name HB2  ) (resi  102  and name HB#  ) 4.0 3.2 2.0 ! D102  
assi (resi   99  and name HB1  ) (resi  101  and name HN   ) 5.0 3.2 2.0 
! residue L100
assi (resi  100  and name HN   ) (resi  100  and name HB1  ) 3.0 1.2 0.5 
assi (resi  100  and name HN   ) (resi  100  and name HB2  ) 4.0 2.2 1.0 
assi (resi  100  and name HN   ) (resi  100  and name HG   ) 4.0 2.2 1.0 
assi (resi  100  and name HN   ) (resi  100  and name HD1# ) 5.0 4.7 3.5 ! L100  
assi (resi  100  and name HN   ) (resi  101  and name HN   ) 3.0 1.2 0.5 
assi (resi  100  and name HA   ) (resi  100  and name HB1  ) 2.7 0.9 0.2 
assi (resi  100  and name HA   ) (resi  100  and name HB2  ) 2.7 0.9 0.2 
assi (resi  100  and name HA   ) (resi  100  and name HG   ) 4.0 2.2 1.0 
assi (resi  100  and name HA   ) (resi  100  and name HD1# ) 4.0 3.7 2.5 ! L100  
assi (resi  100  and name HA   ) (resi  101  and name HA#  ) 4.0 3.2 2.0 ! G101  
assi (resi  100  and name HB1  ) (resi  101  and name HN   ) 4.0 2.2 1.0 
assi (resi  100  and name HB1  ) (resi  102  and name HN   ) 3.0 1.2 0.5 
assi (resi  100  and name HB2  ) (resi  101  and name HN   ) 4.0 2.2 1.0 
assi (resi  100  and name HG   ) (resi  101  and name HN   ) 5.0 3.2 2.0 
assi (resi  100  and name HN   ) (resi  101  and name HA#  ) 5.0 4.2 3.0 ! G101  
assi (resi  100  and name HD1# ) (resi  101  and name HN   ) 5.0 4.7 3.5 ! L100  
! residue G101
assi (resi  101  and name HN   ) (resi  102  and name HA   ) 4.0 2.2 1.0 
assi (resi  101  and name HA1  ) (resi  102  and name HN   ) 3.0 1.2 0.5 
assi (resi  101  and name HA2  ) (resi  102  and name HN   ) 3.0 1.2 0.5 
! residue D102
assi (resi  102  and name HN   ) (resi  102  and name HB1  ) 3.0 1.2 0.5 
assi (resi  102  and name HN   ) (resi  102  and name HB2  ) 3.0 1.2 0.5 
assi (resi  102  and name HN   ) (resi  102  and name HB#  ) 3.0 2.2 1.5 ! D102  
! hydrogen bondings 
assi (resi   49  and name N    ) (resi    8  and name O    ) 3.3 0.8 0.2 ! G49   S8    
assi (resi   49  and name HN   ) (resi    8  and name O    ) 2.3 0.8 0.2 ! G49   S8    
assi (resi   10  and name N    ) (resi   47  and name O    ) 3.3 0.8 0.2 ! C10   A47   
assi (resi   10  and name HN   ) (resi   47  and name O    ) 2.3 0.8 0.2 ! C10   A47   
assi (resi   47  and name N    ) (resi   10  and name O    ) 3.3 0.8 0.2 ! A47   C10   
assi (resi   47  and name HN   ) (resi   10  and name O    ) 2.3 0.8 0.2 ! A47   C10   
assi (resi   12  and name N    ) (resi   45  and name O    ) 3.3 0.8 0.2 ! Y12   S45   
assi (resi   12  and name HN   ) (resi   45  and name O    ) 2.3 0.8 0.2 ! Y12   S45   
assi (resi   45  and name N    ) (resi   12  and name O    ) 3.3 0.8 0.2 ! S45   Y12   
assi (resi   45  and name HN   ) (resi   12  and name O    ) 2.3 0.8 0.2 ! S45   Y12   
assi (resi   20  and name N    ) (resi   13  and name O    ) 3.3 0.8 0.2 ! A20   S13   
assi (resi   20  and name HN   ) (resi   13  and name O    ) 2.3 0.8 0.2 ! A20   S13   
assi (resi   13  and name N    ) (resi   20  and name O    ) 3.3 0.8 0.2 ! S13   A20   
assi (resi   13  and name HN   ) (resi   20  and name O    ) 2.3 0.8 0.2 ! S13   A20   
assi (resi   22  and name N    ) (resi   11  and name O    ) 3.3 0.8 0.2 ! T22   T11   
assi (resi   22  and name HN   ) (resi   11  and name O    ) 2.3 0.8 0.2 ! T22   T11   
assi (resi   11  and name N    ) (resi   22  and name O    ) 3.3 0.8 0.2 ! T11   T22   
assi (resi   11  and name HN   ) (resi   22  and name O    ) 2.3 0.8 0.2 ! T11   T22   
assi (resi   24  and name N    ) (resi    9  and name O    ) 3.3 0.8 0.2 ! I24   L9    
assi (resi   24  and name HN   ) (resi    9  and name O    ) 2.3 0.8 0.2 ! I24   L9    
assi (resi    9  and name N    ) (resi   24  and name O    ) 3.3 0.8 0.2 ! L9    I24   
assi (resi    9  and name HN   ) (resi   24  and name O    ) 2.3 0.8 0.2 ! L9    I24   
assi (resi   35  and name N    ) (resi   98  and name O    ) 3.3 0.8 0.2 ! D35   Q98   
assi (resi   35  and name HN   ) (resi   98  and name O    ) 2.3 0.8 0.5 ! D35   Q98   !
assi (resi   98  and name N    ) (resi   35  and name O    ) 3.3 0.8 0.2 ! Q98   D35   
assi (resi   98  and name HN   ) (resi   35  and name O    ) 2.3 0.8 0.2 ! Q98   D35   
assi (resi   37  and name N    ) (resi   96  and name O    ) 3.3 0.8 0.2 ! V37   V96   
assi (resi   37  and name HN   ) (resi   96  and name O    ) 2.3 0.8 0.2 ! V37   V96   
assi (resi   96  and name N    ) (resi   37  and name O    ) 3.3 0.8 0.2 ! V96   V37   
assi (resi   96  and name HN   ) (resi   37  and name O    ) 2.3 0.8 0.2 ! V96   V37   
assi (resi   39  and name N    ) (resi   94  and name O    ) 3.3 0.8 0.2 ! L39   V94   
assi (resi   39  and name HN   ) (resi   94  and name O    ) 2.3 0.8 0.2 ! L39   V94   
assi (resi  100  and name N    ) (resi   33  and name O    ) 3.3 0.8 0.2 ! L100  G33   
assi (resi  100  and name HN   ) (resi   33  and name O    ) 2.3 0.8 0.2 ! L100  G33   
assi (resi   46  and name N    ) (resi   89  and name O    ) 3.3 0.8 0.2 ! F46   S89   
assi (resi   46  and name HN   ) (resi   89  and name O    ) 2.3 0.8 0.2 ! F46   S89   
assi (resi   89  and name N    ) (resi   46  and name O    ) 3.3 0.8 0.2 ! S89   F46   
assi (resi   89  and name HN   ) (resi   46  and name O    ) 2.3 0.8 0.2 ! S89   F46   
assi (resi   48  and name N    ) (resi   87  and name O    ) 3.3 0.8 0.2 ! N48   L87   
assi (resi   48  and name HN   ) (resi   87  and name O    ) 2.3 0.8 0.2 ! N48   L87   
assi (resi   87  and name N    ) (resi   48  and name O    ) 3.3 0.8 0.2 ! L87   N48   
assi (resi   87  and name HN   ) (resi   48  and name O    ) 2.3 0.8 0.2 ! L87   N48   
assi (resi   50  and name N    ) (resi   85  and name O    ) 3.3 0.8 0.2 ! T50   R85   
assi (resi   50  and name HN   ) (resi   85  and name O    ) 2.3 0.8 0.2 ! T50   R85   
assi (resi   53  and name N    ) (resi   99  and name O    ) 3.3 0.8 0.2 ! T53   D99   
assi (resi   53  and name HN   ) (resi   99  and name O    ) 2.3 0.8 0.2 ! T53   D99   
assi (resi   99  and name N    ) (resi   53  and name O    ) 3.3 0.8 0.2 ! D99   T53   
assi (resi   99  and name HN   ) (resi   53  and name O    ) 2.3 0.8 0.2 ! D99   T53   
assi (resi   55  and name N    ) (resi   97  and name O    ) 3.3 0.8 0.2 ! R55   G97   
assi (resi   55  and name HN   ) (resi   97  and name O    ) 2.3 0.8 0.2 ! R55   G97   
assi (resi   97  and name N    ) (resi   55  and name O    ) 3.3 0.8 0.2 ! G97   R55   
assi (resi   97  and name HN   ) (resi   55  and name O    ) 2.3 0.8 0.2 ! G97   R55   
assi (resi   57  and name N    ) (resi   95  and name O    ) 3.3 0.8 0.2 ! G57   T95   
assi (resi   57  and name HN   ) (resi   95  and name O    ) 2.3 0.8 0.2 ! G57   T95   
assi (resi   95  and name N    ) (resi   57  and name O    ) 3.3 0.8 0.2 ! T95   G57   
assi (resi   95  and name HN   ) (resi   57  and name O    ) 2.3 0.8 0.2 ! T95   G57   
assi (resi   59  and name N    ) (resi   93  and name O    ) 3.3 0.8 0.2 ! A59   T93   
assi (resi   59  and name HN   ) (resi   93  and name O    ) 2.3 0.8 0.2 ! A59   T93   
assi (resi   54  and name N    ) (resi   78  and name O    ) 3.3 0.8 0.2 ! L54   V78   
assi (resi   54  and name HN   ) (resi   78  and name O    ) 2.3 0.8 0.2 ! L54   V78   
assi (resi   78  and name N    ) (resi   54  and name O    ) 3.3 0.8 0.2 ! V78   L54   
assi (resi   78  and name HN   ) (resi   54  and name O    ) 2.3 0.8 0.2 ! V78   L54   
assi (resi   60  and name N    ) (resi   71  and name O    ) 3.3 0.8 0.2 ! R60   Q71   
assi (resi   60  and name HN   ) (resi   71  and name O    ) 2.3 0.8 0.2 ! R60   Q71   
!
! 4D noesy derived constraints
!
! residue P5  
assi (resi    5  and name HB1  ) (resi   17  and name HD2# ) 4.0 3.7 2.5 ! L17   
assi (resi    5  and name HB2  ) (resi   47  and name HB#  ) 4.0 3.7 2.5 ! A47   
! residue L9  
assi (resi    9  and name HD*  ) (resi   98  and name HB1  ) 4.0 4.7 3.5 ! L9    
assi (resi    9  and name HD1# ) (resi  100  and name HD1# ) 4.0 5.2 4.0 ! L9     L100 
assi (resi    9  and name HD2# ) (resi  100  and name HD1# ) 4.0 5.2 4.0 ! L9     L100 
assi (resi    9  and name HB2  ) (resi  100  and name HD2# ) 4.0 3.7 2.5 ! L100  
assi (resi    9  and name HB1  ) (resi  100  and name HB1  ) 5.0 3.2 2.0 
! residue A26 
assi (resi   26  and name HB#  ) (resi  100  and name HD1# ) 4.0 5.2 4.0 ! A26    L100 
assi (resi   26  and name HB#  ) (resi  100  and name HD2# ) 4.0 5.2 4.0 ! A26    L100 
assi (resi   26  and name HB#  ) (resi  100  and name HB1  ) 4.0 3.7 2.5 ! A26   
! residue D28 
assi (resi   28  and name HB2  ) (resi  100  and name HB1  ) 5.0 3.2 2.0 
! residue M29 
assi (resi   29  and name HB2  ) (resi   30  and name HB#  ) 4.0 3.2 2.0 ! E30   
assi (resi   29  and name HB1  ) (resi  100  and name HB2  ) 4.0 2.2 1.0 
! residue L39 
assi (resi   39  and name HB2  ) (resi   94  and name HG1# ) 5.0 4.7 3.5 ! V94   
! residue A41 
assi (resi   41  and name HB#  ) (resi   44  and name HB1  ) 4.0 3.7 2.5 ! A41   
! residue L54 
assi (resi   54  and name HD1# ) (resi   78  and name HB   ) 4.0 3.7 2.5 ! L54   
! residue V78 
assi (resi   78  and name HG1# ) (resi   82  and name HB#  ) 4.0 5.2 4.0 ! V78    A82  
! residue Q83 
assi (resi   83  and name HB2  ) (resi   87  and name HD2# ) 4.0 3.7 2.5 ! L87   
! residue L84 
assi (resi   84  and name HD1# ) (resi   87  and name HD2# ) 4.0 5.2 4.0 ! L84    L87  
assi (resi   84  and name HB2  ) (resi   84  and name HD1# ) 4.0 3.7 2.5 ! L84   
! residue V94 
assi (resi   94  and name HG2# ) (resi   96  and name HG2# ) 4.0 5.2 4.0 ! V94    V96  
! residue L100
assi (resi  100  and name HB1  ) (resi  100  and name HD1# ) 4.0 3.7 2.5 ! L100  
assi (resi  100  and name HD2# ) (resi  100  and name HB1  ) 4.0 3.7 2.5 ! L100  
!
! S-S bridge
!
assi (resi    4  and name SG  )  (resi   10  and name SG )   2.02 0.10 0.10 ! 4 - 10
assi (resi    4  and name CB  )  (resi   10  and name SG )   2.99 0.50 0.50 ! 4 - 10
assi (resi   10  and name CB  )  (resi    4  and name SG )   2.99 0.50 0.50 ! 4 - 10
assi (resi   64  and name SG  )  (resi   69  and name SG )   2.02 0.10 0.10 ! 64- 69
assi (resi   64  and name CB  )  (resi   69  and name SG )   2.99 0.50 0.50 ! 64- 69
assi (resi   69  and name CB  )  (resi   64  and name SG )   2.99 0.50 0.50 ! 64- 69
!
! angle restraints
!
!       1997.05.13      Shin-ichi Tate
!!    phi torsion constraints
!!      CYSS4  
assign (resid   3 and name c )  (resid   4 and name n )
       (resid   4 and name ca)  (resid   4 and name c )  1.0  -65.0   25.0 2
!!      S8  
assign (resid   7 and name c )  (resid   8 and name n )
       (resid   8 and name ca)  (resid   8 and name c )  1.0 -120.0   40.0 2
!!      CYSS10 
assign (resid   9 and name c )  (resid  10 and name n )
       (resid  10 and name ca)  (resid  10 and name c )  1.0  -65.0   25.0 2
!!      T11 
assign (resid  10 and name c )  (resid  11 and name n )
       (resid  11 and name ca)  (resid  11 and name c )  1.0 -120.0   50.0 2 !
!!      Y12 
assign (resid  11 and name c )  (resid  12 and name n )
       (resid  12 and name ca)  (resid  12 and name c )  1.0 -120.0   40.0 2
!!      S18 
assign (resid  17 and name c )  (resid  18 and name n )
       (resid  18 and name ca)  (resid  18 and name c )  1.0 -120.0   40.0 2
!!      R21 
assign (resid  20 and name c )  (resid  21 and name n )
       (resid  21 and name ca)  (resid  21 and name c )  1.0  -65.0   25.0 2
!!      T22 
assign (resid  21 and name c )  (resid  22 and name n )
       (resid  22 and name ca)  (resid  22 and name c )  1.0 -120.0   40.0 2
!!      I24 
assign (resid  23 and name c )  (resid  24 and name n )
       (resid  24 and name ca)  (resid  24 and name c )  1.0 -120.0   40.0 2
!!      D28 
assign (resid  27 and name c )  (resid  28 and name n )
       (resid  28 and name ca)  (resid  28 and name c )  1.0  -65.0   25.0 2
!!      K31 
assign (resid  30 and name c )  (resid  31 and name n )
       (resid  31 and name ca)  (resid  31 and name c )  1.0  -65.0   25.0 2
!!      V37 
assign (resid  36 and name c )  (resid  37 and name n )
       (resid  37 and name ca)  (resid  37 and name c )  1.0 -120.0   40.0 2
!!      L39
assign (resid  38 and name c )  (resid  39 and name n )
       (resid  39 and name ca)  (resid  39 and name c )  1.0 -120.0   40.0 2 !
!!      S42
assign (resid  41 and name c )  (resid  42 and name n )
       (resid  42 and name ca)  (resid  42 and name c )  1.0  -65.0   35.0 2 !
!!      A47 
assign (resid  46 and name c )  (resid  47 and name n )
       (resid  47 and name ca)  (resid  47 and name c )  1.0 -120.0   40.0 2
!!      G49 
assign (resid  48 and name c )  (resid  49 and name n )
       (resid  49 and name ca)  (resid  49 and name c )  1.0  -65.0   25.0 2
!!      F52 
assign (resid  51 and name c )  (resid  52 and name n )
       (resid  52 and name ca)  (resid  52 and name c )  1.0  -65.0   45.0 2 !
!!      L54 
assign (resid  53 and name c )  (resid  54 and name n )
       (resid  54 and name ca)  (resid  54 and name c )  1.0 -120.0   40.0 2
!!      R55 
assign (resid  54 and name c )  (resid  55 and name n )
       (resid  55 and name ca)  (resid  55 and name c )  1.0 -120.0   50.0 2 !
!!      V62 
assign (resid  61 and name c )  (resid  62 and name n )
       (resid  62 and name ca)  (resid  62 and name c )  1.0 -120.0   40.0 2
!!      T63 
assign (resid  62 and name c )  (resid  63 and name n )
       (resid  63 and name ca)  (resid  63 and name c )  1.0 -120.0   40.0 2
!!      CYSS64 
assign (resid  63 and name c )  (resid  64 and name n )
       (resid  64 and name ca)  (resid  64 and name c )  1.0 -120.0   40.0 2
!!      V65 
assign (resid  64 and name c )  (resid  65 and name n )
       (resid  65 and name ca)  (resid  65 and name c )  1.0 -120.0   40.0 2
!!      CYSS69 
assign (resid  68 and name c )  (resid  69 and name n )
       (resid  69 and name ca)  (resid  69 and name c )  1.0 -120.0   40.0 2
!!      Y70 
assign (resid  69 and name c )  (resid  70 and name n )
       (resid  70 and name ca)  (resid  70 and name c )  1.0  -65.0   25.0 2
!!      A73 
assign (resid  72 and name c )  (resid  73 and name n )
       (resid  73 and name ca)  (resid  73 and name c )  1.0 -120.0   40.0 2
!!      V75 
assign (resid  74 and name c )  (resid  75 and name n )
       (resid  75 and name ca)  (resid  75 and name c )  1.0 -120.0   40.0 2
!!      K77 
assign (resid  76 and name c )  (resid  77 and name n )
       (resid  77 and name ca)  (resid  77 and name c )  1.0 -120.0   40.0 2
!!      V78 
assign (resid  77 and name c )  (resid  78 and name n )
       (resid  78 and name ca)  (resid  78 and name c )  1.0 -120.0   40.0 2
!!      A79 
assign (resid  78 and name c )  (resid  79 and name n )
       (resid  79 and name ca)  (resid  79 and name c )  1.0  -65.0   25.0 2
!!      L84 
assign (resid  83 and name c )  (resid  84 and name n )
       (resid  84 and name ca)  (resid  84 and name c )  1.0 -120.0   40.0 2
!!      R85 
assign (resid  84 and name c )  (resid  85 and name n )
       (resid  85 and name ca)  (resid  85 and name c )  1.0  -65.0   40.0 2 !
!!      V94 
assign (resid  93 and name c )  (resid  94 and name n )
       (resid  94 and name ca)  (resid  94 and name c )  1.0 -120.0   40.0 2
!!      T95 
assign (resid  94 and name c )  (resid  95 and name n )
       (resid  95 and name ca)  (resid  95 and name c )  1.0 -120.0   40.0 2
!!      V96 
assign (resid  95 and name c )  (resid  96 and name n )
       (resid  96 and name ca)  (resid  96 and name c )  1.0 -120.0   40.0 2
!!      L100
assign (resid  99 and name c )  (resid 100 and name n )
       (resid 100 and name ca)  (resid 100 and name c )  1.0 -120.0   40.0 2
!!    chi1 torsion constraints
!!      S8
assign (resid   8 and name n  )  (resid   8 and name ca )
       (resid   8 and name cb )  (resid   8 and name og )  1.0  -60.0   30.0 2
!!      C10
!assign (resid  10 and name n  )  (resid  10 and name ca )
!       (resid  10 and name cb )  (resid  10 and name sg )  1.0  -60.0   50.0 2 !
!!      Y12
assign (resid  12 and name n  )  (resid  12 and name ca )
       (resid  12 and name cb )  (resid  12 and name cg )  1.0   60.0   30.0 2
!!      S13
assign (resid  13 and name n  )  (resid  13 and name ca )
       (resid  13 and name cb )  (resid  13 and name og )  1.0   60.0   30.0 2
!!      R21
assign (resid  21 and name n  )  (resid  21 and name ca )
       (resid  21 and name cb )  (resid  21 and name cg )  1.0   60.0   30.0 2
!!      D28
assign (resid  28 and name n  )  (resid  28 and name ca )
       (resid  28 and name cb )  (resid  28 and name cg )  1.0  -60.0   30.0 2
!!      D35
assign (resid  35 and name n  )  (resid  35 and name ca )
       (resid  35 and name cb )  (resid  35 and name cg )  1.0  -60.0   30.0 2
!!      F46
assign (resid  46 and name n  )  (resid  46 and name ca )
       (resid  46 and name cb )  (resid  46 and name cg )  1.0   60.0   30.0 2
!!      N48
assign (resid  48 and name n  )  (resid  48 and name ca )
       (resid  48 and name cb )  (resid  48 and name cg )  1.0  180.0   50.0 2 !
!!      L54
assign (resid  54 and name n  )  (resid  54 and name ca )
       (resid  54 and name cb )  (resid  54 and name cg )  1.0   60.0   50.0 2 !
!!      R55
assign (resid  55 and name n  )  (resid  55 and name ca )
       (resid  55 and name cb )  (resid  55 and name cg )  1.0  -60.0   30.0 2
!!      Y70
assign (resid  70 and name n  )  (resid  70 and name ca )
       (resid  70 and name cb )  (resid  70 and name cg )  1.0  -60.0   30.0 2
!!      Q71
assign (resid  71 and name n  )  (resid  71 and name ca )
       (resid  71 and name cb )  (resid  71 and name cg )  1.0  -60.0   30.0 2
!!      Y72
assign (resid  72 and name n  )  (resid  72 and name ca )
       (resid  72 and name cb )  (resid  72 and name cg )  1.0   60.0   30.0 2
!!      L84
assign (resid  84 and name n  )  (resid  84 and name ca )
       (resid  84 and name cb )  (resid  84 and name cg )  1.0   60.0   30.0 2
!!      R85
assign (resid  85 and name n  )  (resid  85 and name ca )
       (resid  85 and name cb )  (resid  85 and name cg )  1.0   60.0   30.0 2
!!      D99
assign (resid  99 and name n  )  (resid  99 and name ca )
       (resid  99 and name cb )  (resid  99 and name cg )  1.0  180.0   50.0 2 !

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1           HT3      ALA   1  68.504  -8.879  -8.879
    2   2H    ALA   1           HT2      ALA   1  69.220 -10.419 -10.419
    3   3H    ALA   1           HT1      ALA   1  69.894  -9.210  -9.210
    4    HA   ALA   1           HA       ALA   1  68.751 -10.569 -10.569
    5   1HB   ALA   1           HB3      ALA   1  67.700 -11.861 -11.861
    6   2HB   ALA   1           HB2      ALA   1  66.558 -10.544 -10.544
    7   3HB   ALA   1           HB1      ALA   1  66.512 -11.454 -11.454
    8    HA   PRO   2           HA       PRO   2  67.104  -6.635  -6.635
    9   1HB   PRO   2           HB2      PRO   2  66.942  -7.361  -7.361
   10   2HB   PRO   2           HB1      PRO   2  68.461  -6.875  -6.875
   11   1HG   PRO   2           HG2      PRO   2  67.436  -9.601  -9.601
   12   2HG   PRO   2           HG1      PRO   2  69.080  -8.955  -8.955
   13   1HD   PRO   2           HD2      PRO   2  68.256 -10.536 -10.536
   14   2HD   PRO   2           HD1      PRO   2  69.526  -9.304  -9.304
   15    H    SER   3           HN       SER   3  65.114  -7.688  -7.688
   16    HA   SER   3           HA       SER   3  63.025  -8.663  -8.663
   17   1HB   SER   3           HB2      SER   3  63.375  -8.682  -8.682
   18   2HB   SER   3           HB1      SER   3  61.878  -9.191  -9.191
   19    HG   SER   3           HG       SER   3  63.059 -10.762 -10.762
   20    H    CYS   4           HN       CYS   4  63.930  -5.740  -5.740
   21    HA   CYS   4           HA       CYS   4  61.353  -4.621  -4.621
   22   1HB   CYS   4           HB2      CYS   4  64.025  -3.892  -3.892
   23   2HB   CYS   4           HB1      CYS   4  63.370  -2.729  -2.729
   24    HA   PRO   5           HA       PRO   5  60.069  -3.528  -3.528
   25   1HB   PRO   5           HB2      PRO   5  58.581  -1.271  -1.271
   26   2HB   PRO   5           HB1      PRO   5  58.064  -2.881  -2.881
   27   1HG   PRO   5           HG2      PRO   5  59.122  -0.660  -0.660
   28   2HG   PRO   5           HG1      PRO   5  58.015  -1.963  -1.963
   29   1HD   PRO   5           HD2      PRO   5  60.759  -1.817  -1.817
   30   2HD   PRO   5           HD1      PRO   5  59.698  -3.221  -3.221
   31    H    ALA   6           HN       ALA   6  59.871  -0.124  -0.124
   32    HA   ALA   6           HA       ALA   6  62.601   0.692   0.692
   33   1HB   ALA   6           HB2      ALA   6  61.818  -0.794  -0.794
   34   2HB   ALA   6           HB1      ALA   6  60.993   0.683   0.683
   35   3HB   ALA   6           HB3      ALA   6  62.745   0.677   0.677
   36    H    GLY   7           HN       GLY   7  62.672   2.963   2.963
   37   1HA   GLY   7           HA2      GLY   7  61.216   4.978   4.978
   38   2HA   GLY   7           HA1      GLY   7  60.056   4.374   4.374
   39    H    SER   8           HN       SER   8  61.898   3.733   3.733
   40    HA   SER   8           HA       SER   8  63.423   6.189   6.189
   41   1HB   SER   8           HB2      SER   8  60.927   5.110   5.110
   42   2HB   SER   8           HB1      SER   8  62.062   6.105   6.105
   43    HG   SER   8           HG       SER   8  60.949   6.903   6.903
   44    H    LEU   9           HN       LEU   9  64.463   5.604   5.604
   45    HA   LEU   9           HA       LEU   9  65.571   2.912   2.912
   46   1HB   LEU   9           HB2      LEU   9  66.757   5.016   5.016
   47   2HB   LEU   9           HB1      LEU   9  65.857   4.881   4.881
   48    HG   LEU   9           HG       LEU   9  66.961   2.318   2.318
   49   1HD1  LEU   9          HD11      LEU   9  68.538   3.618   3.618
   50   2HD1  LEU   9          HD13      LEU   9  69.042   4.514   4.514
   51   3HD1  LEU   9          HD12      LEU   9  69.327   2.778   2.778
   52   1HD2  LEU   9          HD23      LEU   9  66.552   3.952   3.952
   53   2HD2  LEU   9          HD22      LEU   9  67.504   2.469   2.469
   54   3HD2  LEU   9          HD21      LEU   9  68.305   4.024   4.024
   55    H    CYS  10           HN       CYS  10  63.294   1.892   1.892
   56    HA   CYS  10           HA       CYS  10  62.030   2.041   2.041
   57   1HB   CYS  10           HB2      CYS  10  60.483   0.325   0.325
   58   2HB   CYS  10           HB1      CYS  10  60.634   1.735   1.735
   59    H    THR  11           HN       THR  11  63.506   1.332   1.332
   60    HA   THR  11           HA       THR  11  64.836  -1.263  -1.263
   61    HB   THR  11           HB       THR  11  65.757  -0.717  -0.717
   62    HG1  THR  11           HG1      THR  11  64.836   1.036   1.036
   63   1HG2  THR  11          HG23      THR  11  65.906   1.029   1.029
   64   2HG2  THR  11          HG22      THR  11  65.491   2.089   2.089
   65   3HG2  THR  11          HG21      THR  11  66.933   1.076   1.076
   66    H    TYR  12           HN       TYR  12  64.313  -3.202  -3.202
   67    HA   TYR  12           HA       TYR  12  61.833  -3.199  -3.199
   68   1HB   TYR  12           HB2      TYR  12  60.719  -4.777  -4.777
   69   2HB   TYR  12           HB1      TYR  12  61.035  -3.217  -3.217
   70    HD1  TYR  12           HD2      TYR  12  62.781  -2.948  -2.948
   71    HD2  TYR  12           HD1      TYR  12  61.985  -6.758  -6.758
   72    HE1  TYR  12           HE2      TYR  12  64.089  -4.055  -4.055
   73    HE2  TYR  12           HE1      TYR  12  63.298  -7.862  -7.862
   74    HH   TYR  12           HH       TYR  12  64.982  -7.402  -7.402
   75    H    SER  13           HN       SER  13  61.487  -5.178  -5.178
   76    HA   SER  13           HA       SER  13  63.804  -7.046  -7.046
   77   1HB   SER  13           HB2      SER  13  63.641  -7.117  -7.117
   78   2HB   SER  13           HB1      SER  13  63.089  -5.483  -5.483
   79    HG   SER  13           HG       SER  13  61.436  -7.794  -7.794
   80    H    GLY  14           HN       GLY  14  62.334  -7.917  -7.917
   81   1HA   GLY  14           HA2      GLY  14  61.191 -10.395 -10.395
   82   2HA   GLY  14           HA1      GLY  14  59.877  -9.252  -9.252
   83    H    THR  15           HN       THR  15  62.792  -9.257  -9.257
   84    HA   THR  15           HA       THR  15  62.943  -9.316  -9.316
   85    HB   THR  15           HB       THR  15  62.117 -11.657 -11.657
   86    HG1  THR  15           HG1      THR  15  60.616 -11.790 -11.790
   87   1HG2  THR  15          HG22      THR  15  64.441 -10.988 -10.988
   88   2HG2  THR  15          HG21      THR  15  64.006 -11.568 -11.568
   89   3HG2  THR  15          HG23      THR  15  64.034 -12.685 -12.685
   90    H    GLY  16           HN       GLY  16  61.782  -7.844  -7.844
   91   1HA   GLY  16           HA2      GLY  16  60.095  -7.696  -7.696
   92   2HA   GLY  16           HA1      GLY  16  58.983  -8.569  -8.569
   93    H    LEU  17           HN       LEU  17  61.138  -6.119  -6.119
   94    HA   LEU  17           HA       LEU  17  60.680  -4.081  -4.081
   95   1HB   LEU  17           HB2      LEU  17  60.247  -2.982  -2.982
   96   2HB   LEU  17           HB1      LEU  17  59.165  -4.214  -4.214
   97    HG   LEU  17           HG       LEU  17  58.259  -2.426  -2.426
   98   1HD1  LEU  17          HD11      LEU  17  59.285  -1.311  -1.311
   99   2HD1  LEU  17          HD13      LEU  17  57.576  -1.480  -1.480
  100   3HD1  LEU  17          HD12      LEU  17  58.059  -0.570  -0.570
  101   1HD2  LEU  17          HD23      LEU  17  57.032  -4.050  -4.050
  102   2HD2  LEU  17          HD22      LEU  17  56.633  -4.032  -4.032
  103   3HD2  LEU  17          HD21      LEU  17  56.128  -2.698  -2.698
  104    H    SER  18           HN       SER  18  59.250  -6.692  -6.692
  105    HA   SER  18           HA       SER  18  56.798  -5.680  -5.680
  106   1HB   SER  18           HB2      SER  18  56.721  -7.729  -7.729
  107   2HB   SER  18           HB1      SER  18  57.939  -8.457  -8.457
  108    HG   SER  18           HG       SER  18  55.413  -8.621  -8.621
  109    H    GLY  19           HN       GLY  19  56.861  -7.683  -7.683
  110   1HA   GLY  19           HA2      GLY  19  57.510  -7.787  -7.787
  111   2HA   GLY  19           HA1      GLY  19  59.158  -7.754  -7.754
  112    H    ALA  20           HN       ALA  20  60.239  -6.210  -6.210
  113    HA   ALA  20           HA       ALA  20  58.891  -3.791  -3.791
  114   1HB   ALA  20           HB2      ALA  20  60.932  -5.093  -5.093
  115   2HB   ALA  20           HB1      ALA  20  61.873  -4.238  -4.238
  116   3HB   ALA  20           HB3      ALA  20  61.018  -3.332  -3.332
  117    H    ARG  21           HN       ARG  21  58.092  -3.351  -3.351
  118    HA   ARG  21           HA       ARG  21  60.004  -2.400  -2.400
  119   1HB   ARG  21           HB2      ARG  21  57.961  -1.949  -1.949
  120   2HB   ARG  21           HB1      ARG  21  57.874  -3.530  -3.530
  121   1HG   ARG  21           HG2      ARG  21  55.946  -2.918  -2.918
  122   2HG   ARG  21           HG1      ARG  21  56.812  -1.654  -1.654
  123   1HD   ARG  21           HD2      ARG  21  56.603  -0.270  -0.270
  124   2HD   ARG  21           HD1      ARG  21  55.351  -1.446  -1.446
  125    HE   ARG  21           HE       ARG  21  55.111  -0.290  -0.290
  126   1HH1  ARG  21          HH11      ARG  21  52.659  -1.265  -1.265
  127   2HH1  ARG  21          HH12      ARG  21  51.844   0.003   0.003
  128   1HH2  ARG  21          HH21      ARG  21  54.754   1.776   1.776
  129   2HH2  ARG  21          HH22      ARG  21  53.040   1.739   1.739
  130    H    THR  22           HN       THR  22  60.902  -0.460  -0.460
  131    HA   THR  22           HA       THR  22  59.497   1.948   1.948
  132    HB   THR  22           HB       THR  22  62.245   2.430   2.430
  133    HG1  THR  22           HG1      THR  22  63.015   0.439   0.439
  134   1HG2  THR  22          HG23      THR  22  60.320   2.851   2.851
  135   2HG2  THR  22          HG22      THR  22  60.620   1.217   1.217
  136   3HG2  THR  22          HG21      THR  22  61.885   2.441   2.441
  137    H    VAL  23           HN       VAL  23  60.347   4.024   4.024
  138    HA   VAL  23           HA       VAL  23  61.264   3.433   3.433
  139    HB   VAL  23           HB       VAL  23  59.540   5.754   5.754
  140   1HG1  VAL  23          HG11      VAL  23  60.361   4.845   4.845
  141   2HG1  VAL  23          HG13      VAL  23  59.274   3.476   3.476
  142   3HG1  VAL  23          HG12      VAL  23  58.620   5.108   5.108
  143   1HG2  VAL  23          HG23      VAL  23  58.472   2.927   2.927
  144   2HG2  VAL  23          HG22      VAL  23  58.322   4.277   4.277
  145   3HG2  VAL  23          HG21      VAL  23  57.442   4.301   4.301
  146    H    ILE  24           HN       ILE  24  62.917   4.754   4.754
  147    HA   ILE  24           HA       ILE  24  63.124   7.383   7.383
  148    HB   ILE  24           HB       ILE  24  65.623   5.839   5.839
  149   1HG1  ILE  24          HG12      ILE  24  64.279   4.374   4.374
  150   2HG1  ILE  24          HG11      ILE  24  65.761   4.957   4.957
  151   1HG2  ILE  24          HG22      ILE  24  65.002   8.361   8.361
  152   2HG2  ILE  24          HG21      ILE  24  65.828   7.389   7.389
  153   3HG2  ILE  24          HG23      ILE  24  66.584   7.669   7.669
  154   1HD1  ILE  24          HD11      ILE  24  63.438   6.731   6.731
  155   2HD1  ILE  24          HD13      ILE  24  63.280   5.150   5.150
  156   3HD1  ILE  24          HD12      ILE  24  64.644   6.192   6.192
  157    HA   PRO  25           HA       PRO  25  63.200   7.992   7.992
  158   1HB   PRO  25           HB2      PRO  25  61.860  10.383  10.383
  159   2HB   PRO  25           HB1      PRO  25  61.016   8.821   8.821
  160   1HG   PRO  25           HG2      PRO  25  61.629  10.646  10.646
  161   2HG   PRO  25           HG1      PRO  25  60.164   9.709   9.709
  162   1HD   PRO  25           HD2      PRO  25  62.042   8.939   8.939
  163   2HD   PRO  25           HD1      PRO  25  61.028   7.787   7.787
  164    H    ALA  26           HN       ALA  26  65.556   8.252   8.252
  165    HA   ALA  26           HA       ALA  26  67.526   9.585   9.585
  166   1HB   ALA  26           HB3      ALA  26  65.993  10.564  10.564
  167   2HB   ALA  26           HB2      ALA  26  67.303  11.602  11.602
  168   3HB   ALA  26           HB1      ALA  26  67.636   9.934   9.934
  169    H    SER  27           HN       SER  27  66.256  10.213  10.213
  170    HA   SER  27           HA       SER  27  66.383  13.130  13.130
  171   1HB   SER  27           HB2      SER  27  64.205  12.986  12.986
  172   2HB   SER  27           HB1      SER  27  63.775  11.595  11.595
  173    HG   SER  27           HG       SER  27  63.684  14.282  14.282
  174    H    ASP  28           HN       ASP  28  64.965  10.216  10.216
  175    HA   ASP  28           HA       ASP  28  65.577  11.135  11.135
  176   1HB   ASP  28           HB2      ASP  28  64.574   8.730   8.730
  177   2HB   ASP  28           HB1      ASP  28  65.218   8.471   8.471
  178    H    MET  29           HN       MET  29  67.111   9.494   9.494
  179    HA   MET  29           HA       MET  29  69.414   8.328   8.328
  180   1HB   MET  29           HB2      MET  29  68.070   8.583   8.583
  181   2HB   MET  29           HB1      MET  29  69.723   9.135   9.135
  182   1HG   MET  29           HG2      MET  29  69.843   6.759   6.759
  183   2HG   MET  29           HG1      MET  29  70.425   6.994   6.994
  184   1HE   MET  29           HE3      MET  29  69.481   6.565   6.565
  185   2HE   MET  29           HE2      MET  29  68.080   5.566   5.566
  186   3HE   MET  29           HE1      MET  29  69.516   4.831   4.831
  187    H    GLU  30           HN       GLU  30  68.520  11.507  11.507
  188    HA   GLU  30           HA       GLU  30  71.184  12.650  12.650
  189   1HB   GLU  30           HB2      GLU  30  69.897  14.087  14.087
  190   2HB   GLU  30           HB1      GLU  30  68.419  13.420  13.420
  191   1HG   GLU  30           HG2      GLU  30  68.901  14.820  14.820
  192   2HG   GLU  30           HG1      GLU  30  70.158  15.621  15.621
  193    H    LYS  31           HN       LYS  31  69.042  11.699  11.699
  194    HA   LYS  31           HA       LYS  31  69.963  13.506  13.506
  195   1HB   LYS  31           HB2      LYS  31  67.655  11.954  11.954
  196   2HB   LYS  31           HB1      LYS  31  68.405  11.196  11.196
  197   1HG   LYS  31           HG2      LYS  31  68.479  13.428  13.428
  198   2HG   LYS  31           HG1      LYS  31  67.611  14.112  14.112
  199   1HD   LYS  31           HD2      LYS  31  65.673  12.777  12.777
  200   2HD   LYS  31           HD1      LYS  31  66.547  11.745  11.745
  201   1HE   LYS  31           HE2      LYS  31  65.490  13.108  13.108
  202   2HE   LYS  31           HE1      LYS  31  66.910  14.129  14.129
  203   1HZ   LYS  31           HZ3      LYS  31  64.360  14.266  14.266
  204   2HZ   LYS  31           HZ2      LYS  31  64.797  15.347  15.347
  205   3HZ   LYS  31           HZ1      LYS  31  65.708  15.277  15.277
  206    H    ALA  32           HN       ALA  32  70.270  10.239  10.239
  207    HA   ALA  32           HA       ALA  32  72.116   9.371   9.371
  208   1HB   ALA  32           HB3      ALA  32  70.986   8.161   8.161
  209   2HB   ALA  32           HB2      ALA  32  72.222   7.334   7.334
  210   3HB   ALA  32           HB1      ALA  32  70.647   7.680   7.680
  211    H    GLY  33           HN       GLY  33  72.188   9.696   9.696
  212   1HA   GLY  33           HA2      GLY  33  73.881  11.308  11.308
  213   2HA   GLY  33           HA1      GLY  33  75.036  10.652  10.652
  214    H    THR  34           HN       THR  34  75.896   8.605   8.605
  215    HA   THR  34           HA       THR  34  75.506   7.494   7.494
  216    HB   THR  34           HB       THR  34  77.818   8.507   8.507
  217    HG1  THR  34           HG1      THR  34  77.610   9.034   9.034
  218   1HG2  THR  34          HG21      THR  34  78.074   6.060   6.060
  219   2HG2  THR  34          HG23      THR  34  78.212   5.693   5.693
  220   3HG2  THR  34          HG22      THR  34  79.422   6.701   6.701
  221    H    ASP  35           HN       ASP  35  74.233   6.908   6.908
  222    HA   ASP  35           HA       ASP  35  74.046   5.128   5.128
  223   1HB   ASP  35           HB2      ASP  35  73.691   4.381   4.381
  224   2HB   ASP  35           HB1      ASP  35  73.750   3.056   3.056
  225    H    GLY  36           HN       GLY  36  76.622   5.937   5.937
  226   1HA   GLY  36           HA2      GLY  36  78.566   4.186   4.186
  227   2HA   GLY  36           HA1      GLY  36  78.848   5.357   5.357
  228    H    VAL  37           HN       VAL  37  77.499   2.100   2.100
  229    HA   VAL  37           HA       VAL  37  78.957   1.126   1.126
  230    HB   VAL  37           HB       VAL  37  76.405   0.397   0.397
  231   1HG1  VAL  37          HG12      VAL  37  77.970   2.781   2.781
  232   2HG1  VAL  37          HG11      VAL  37  76.622   2.043   2.043
  233   3HG1  VAL  37          HG13      VAL  37  78.106   1.128   1.128
  234   1HG2  VAL  37          HG23      VAL  37  75.661   2.171   2.171
  235   2HG2  VAL  37          HG22      VAL  37  74.902   2.243   2.243
  236   3HG2  VAL  37          HG21      VAL  37  76.205   3.358   3.358
  237    H    LYS  38           HN       LYS  38  77.298  -1.168  -1.168
  238    HA   LYS  38           HA       LYS  38  77.981  -2.719  -2.719
  239   1HB   LYS  38           HB2      LYS  38  78.569  -3.576  -3.576
  240   2HB   LYS  38           HB1      LYS  38  76.915  -3.374  -3.374
  241   1HG   LYS  38           HG2      LYS  38  76.132  -5.078  -5.078
  242   2HG   LYS  38           HG1      LYS  38  77.771  -5.262  -5.262
  243   1HD   LYS  38           HD2      LYS  38  78.240  -6.744  -6.744
  244   2HD   LYS  38           HD1      LYS  38  77.887  -5.522  -5.522
  245   1HE   LYS  38           HE2      LYS  38  75.388  -6.125  -6.125
  246   2HE   LYS  38           HE1      LYS  38  76.019  -7.590  -7.590
  247   1HZ   LYS  38           HZ1      LYS  38  77.500  -7.792  -7.792
  248   2HZ   LYS  38           HZ3      LYS  38  76.474  -6.660  -6.660
  249   3HZ   LYS  38           HZ2      LYS  38  75.853  -8.157  -8.157
  250    H    LEU  39           HN       LEU  39  76.397  -2.504  -2.504
  251    HA   LEU  39           HA       LEU  39  73.519  -2.492  -2.492
  252   1HB   LEU  39           HB2      LEU  39  74.675  -0.932  -0.932
  253   2HB   LEU  39           HB1      LEU  39  74.662  -2.324  -2.324
  254    HG   LEU  39           HG       LEU  39  72.083  -2.251  -2.251
  255   1HD1  LEU  39          HD13      LEU  39  73.185   0.500   0.500
  256   2HD1  LEU  39          HD12      LEU  39  71.471   0.143   0.143
  257   3HD1  LEU  39          HD11      LEU  39  72.220  -0.043  -0.043
  258   1HD2  LEU  39          HD22      LEU  39  73.412  -2.147  -2.147
  259   2HD2  LEU  39          HD21      LEU  39  71.751  -2.629  -2.629
  260   3HD2  LEU  39          HD23      LEU  39  72.124  -0.941  -0.941
  261    HA   PRO  40           HA       PRO  40  73.729  -6.973  -6.973
  262   1HB   PRO  40           HB2      PRO  40  71.377  -7.545  -7.545
  263   2HB   PRO  40           HB1      PRO  40  72.924  -7.363  -7.363
  264   1HG   PRO  40           HG2      PRO  40  70.687  -5.420  -5.420
  265   2HG   PRO  40           HG1      PRO  40  71.697  -5.762  -5.762
  266   1HD   PRO  40           HD2      PRO  40  72.070  -3.597  -3.597
  267   2HD   PRO  40           HD1      PRO  40  73.395  -4.398  -4.398
  268    H    ALA  41           HN       ALA  41  71.476  -8.427  -8.427
  269    HA   ALA  41           HA       ALA  41  69.745  -6.958  -6.958
  270   1HB   ALA  41           HB1      ALA  41  71.693  -9.143  -9.143
  271   2HB   ALA  41           HB3      ALA  41  70.282  -8.814  -8.814
  272   3HB   ALA  41           HB2      ALA  41  71.494  -7.561  -7.561
  273    H    SER  42           HN       SER  42  70.542 -10.145 -10.145
  274    HA   SER  42           HA       SER  42  68.145 -11.540 -11.540
  275   1HB   SER  42           HB2      SER  42  68.768 -12.675 -12.675
  276   2HB   SER  42           HB1      SER  42  69.966 -12.718 -12.718
  277    HG   SER  42           HG       SER  42  69.846 -10.998 -10.998
  278    H    ALA  43           HN       ALA  43  66.215 -10.407 -10.407
  279    HA   ALA  43           HA       ALA  43  64.393  -9.398  -9.398
  280   1HB   ALA  43           HB1      ALA  43  65.935 -10.828 -10.828
  281   2HB   ALA  43           HB3      ALA  43  64.733  -9.656  -9.656
  282   3HB   ALA  43           HB2      ALA  43  64.250 -11.015 -11.015
  283    H    ARG  44           HN       ARG  44  66.483  -7.776  -7.776
  284    HA   ARG  44           HA       ARG  44  66.090  -5.327  -5.327
  285   1HB   ARG  44           HB2      ARG  44  67.844  -7.039  -7.039
  286   2HB   ARG  44           HB1      ARG  44  68.941  -6.050  -6.050
  287   1HG   ARG  44           HG2      ARG  44  68.741  -4.411  -4.411
  288   2HG   ARG  44           HG1      ARG  44  67.037  -4.269  -4.269
  289   1HD   ARG  44           HD2      ARG  44  66.333  -5.578  -5.578
  290   2HD   ARG  44           HD1      ARG  44  67.877  -6.450  -6.450
  291    HE   ARG  44           HE       ARG  44  68.103  -3.563  -3.563
  292   1HH1  ARG  44          HH21      ARG  44  70.107  -4.826  -4.826
  293   2HH1  ARG  44          HH22      ARG  44  69.501  -5.227  -5.227
  294   1HH2  ARG  44          HH11      ARG  44  66.183  -4.859  -4.859
  295   2HH2  ARG  44          HH12      ARG  44  67.266  -5.246  -5.246
  296    H    SER  45           HN       SER  45  65.753  -5.621  -5.621
  297    HA   SER  45           HA       SER  45  68.254  -4.573  -4.573
  298   1HB   SER  45           HB2      SER  45  66.529  -6.747  -6.747
  299   2HB   SER  45           HB1      SER  45  66.253  -5.523  -5.523
  300    HG   SER  45           HG       SER  45  68.373  -5.595  -5.595
  301    H    PHE  46           HN       PHE  46  66.396  -3.781  -3.781
  302    HA   PHE  46           HA       PHE  46  64.361  -2.054  -2.054
  303   1HB   PHE  46           HB2      PHE  46  65.492   0.150   0.150
  304   2HB   PHE  46           HB1      PHE  46  65.997  -0.919  -0.919
  305    HD1  PHE  46           HD2      PHE  46  68.249  -1.987  -1.987
  306    HD2  PHE  46           HD1      PHE  46  67.008   0.910   0.910
  307    HE1  PHE  46           HE2      PHE  46  70.611  -1.621  -1.621
  308    HE2  PHE  46           HE1      PHE  46  69.375   1.284   1.284
  309    HZ   PHE  46           HZ       PHE  46  71.176   0.018   0.018
  310    H    ALA  47           HN       ALA  47  64.057  -0.127  -0.127
  311    HA   ALA  47           HA       ALA  47  64.773  -1.036  -1.036
  312   1HB   ALA  47           HB1      ALA  47  62.369  -0.701  -0.701
  313   2HB   ALA  47           HB3      ALA  47  62.727   0.993   0.993
  314   3HB   ALA  47           HB2      ALA  47  62.878   0.364   0.364
  315    H    ASN  48           HN       ASN  48  65.916   0.383   0.383
  316    HA   ASN  48           HA       ASN  48  67.310   2.565   2.565
  317   1HB   ASN  48           HB2      ASN  48  67.962   0.549   0.549
  318   2HB   ASN  48           HB1      ASN  48  68.046   2.040   2.040
  319   1HD2  ASN  48          HD22      ASN  48  71.052   1.188   1.188
  320   2HD2  ASN  48          HD21      ASN  48  69.970   0.065   0.065
  321    H    GLY  49           HN       GLY  49  65.249   3.959   3.959
  322   1HA   GLY  49           HA2      GLY  49  64.527   4.965   4.965
  323   2HA   GLY  49           HA1      GLY  49  63.948   5.611   5.611
  324    H    THR  50           HN       THR  50  67.250   5.184   5.184
  325    HA   THR  50           HA       THR  50  67.893   7.885   7.885
  326    HB   THR  50           HB       THR  50  69.370   7.914   7.914
  327    HG1  THR  50           HG1      THR  50  68.304   6.237   6.237
  328   1HG2  THR  50          HG23      THR  50  67.605   9.559   9.559
  329   2HG2  THR  50          HG22      THR  50  66.661   9.105   9.105
  330   3HG2  THR  50          HG21      THR  50  68.245   9.854   9.854
  331    H    HIS  51           HN       HIS  51  70.499   8.071   8.071
  332    HA   HIS  51           HA       HIS  51  71.773   5.656   5.656
  333   1HB   HIS  51           HB2      HIS  51  73.583   7.198   7.198
  334   2HB   HIS  51           HB1      HIS  51  72.085   8.046   8.046
  335    HD1  HIS  51           HD1      HIS  51  71.576  10.166  10.166
  336    HD2  HIS  51           HD2      HIS  51  74.767   8.029   8.029
  337    HE1  HIS  51           HE1      HIS  51  72.550  11.623  11.623
  338    H    PHE  52           HN       PHE  52  70.797   5.833   5.833
  339    HA   PHE  52           HA       PHE  52  72.080   6.323   6.323
  340   1HB   PHE  52           HB2      PHE  52  71.367   4.302   4.302
  341   2HB   PHE  52           HB1      PHE  52  70.409   4.416   4.416
  342    HD1  PHE  52           HD1      PHE  52  72.745   3.712   3.712
  343    HD2  PHE  52           HD2      PHE  52  71.381   1.927   1.927
  344    HE1  PHE  52           HE1      PHE  52  73.767   1.548   1.548
  345    HE2  PHE  52           HE2      PHE  52  72.406  -0.223  -0.223
  346    HZ   PHE  52           HZ       PHE  52  73.590  -0.420  -0.420
  347    H    THR  53           HN       THR  53  74.305   6.955   6.955
  348    HA   THR  53           HA       THR  53  76.525   5.736   5.736
  349    HB   THR  53           HB       THR  53  76.172   7.362   7.362
  350    HG1  THR  53           HG1      THR  53  76.058   8.938   8.938
  351   1HG2  THR  53          HG23      THR  53  78.507   6.014   6.014
  352   2HG2  THR  53          HG22      THR  53  78.746   7.662   7.662
  353   3HG2  THR  53          HG21      THR  53  78.375   7.369   7.369
  354    H    LEU  54           HN       LEU  54  76.150   3.305   3.305
  355    HA   LEU  54           HA       LEU  54  76.353   2.501   2.501
  356   1HB   LEU  54           HB2      LEU  54  75.216   0.720   0.720
  357   2HB   LEU  54           HB1      LEU  54  75.213   1.548   1.548
  358    HG   LEU  54           HG       LEU  54  77.435   0.391   0.391
  359   1HD1  LEU  54          HD13      LEU  54  76.767  -0.664  -0.664
  360   2HD1  LEU  54          HD12      LEU  54  77.203  -1.898  -1.898
  361   3HD1  LEU  54          HD11      LEU  54  78.327  -0.591  -0.591
  362   1HD2  LEU  54          HD22      LEU  54  74.963  -1.304  -1.304
  363   2HD2  LEU  54          HD21      LEU  54  75.284  -0.326  -0.326
  364   3HD2  LEU  54          HD23      LEU  54  76.301  -1.720  -1.720
  365    H    ARG  55           HN       ARG  55  78.336   2.928   2.928
  366    HA   ARG  55           HA       ARG  55  80.768   2.036   2.036
  367   1HB   ARG  55           HB2      ARG  55  80.121   3.782   3.782
  368   2HB   ARG  55           HB1      ARG  55  81.766   3.196   3.196
  369   1HG   ARG  55           HG2      ARG  55  82.096   4.436   4.436
  370   2HG   ARG  55           HG1      ARG  55  80.375   4.487   4.487
  371   1HD   ARG  55           HD2      ARG  55  80.395   6.592   6.592
  372   2HD   ARG  55           HD1      ARG  55  80.547   5.815   5.815
  373    HE   ARG  55           HE       ARG  55  83.139   5.784   5.784
  374   1HH1  ARG  55          HH21      ARG  55  82.404   7.931   7.931
  375   2HH1  ARG  55          HH22      ARG  55  82.781   9.371   9.371
  376   1HH2  ARG  55          HH11      ARG  55  82.943   7.750   7.750
  377   2HH2  ARG  55          HH12      ARG  55  83.093   9.266   9.266
  378    H    TYR  56           HN       TYR  56  80.920  -0.261  -0.261
  379    HA   TYR  56           HA       TYR  56  80.496  -1.140  -1.140
  380   1HB   TYR  56           HB2      TYR  56  79.260  -2.964  -2.964
  381   2HB   TYR  56           HB1      TYR  56  78.784  -1.627  -1.627
  382    HD1  TYR  56           HD1      TYR  56  79.778  -1.414  -1.414
  383    HD2  TYR  56           HD2      TYR  56  80.492  -4.841  -4.841
  384    HE1  TYR  56           HE1      TYR  56  80.573  -2.682  -2.682
  385    HE2  TYR  56           HE2      TYR  56  81.286  -6.110  -6.110
  386    HH   TYR  56           HH       TYR  56  82.311  -4.878  -4.878
  387    H    GLY  57           HN       GLY  57  81.121  -3.539  -3.539
  388   1HA   GLY  57           HA2      GLY  57  83.320  -4.756  -4.756
  389   2HA   GLY  57           HA1      GLY  57  83.988  -3.758  -3.758
  390    HA   PRO  58           HA       PRO  58  82.157  -7.773  -7.773
  391   1HB   PRO  58           HB2      PRO  58  84.503  -8.815  -8.815
  392   2HB   PRO  58           HB1      PRO  58  83.881  -9.204  -9.204
  393   1HG   PRO  58           HG2      PRO  58  85.980  -7.233  -7.233
  394   2HG   PRO  58           HG1      PRO  58  85.959  -8.368  -8.368
  395   1HD   PRO  58           HD2      PRO  58  85.401  -5.751  -5.751
  396   2HD   PRO  58           HD1      PRO  58  84.601  -7.009  -7.009
  397    H    ALA  59           HN       ALA  59  81.268  -7.220  -7.220
  398    HA   ALA  59           HA       ALA  59  82.326  -5.014  -5.014
  399   1HB   ALA  59           HB2      ALA  59  80.106  -6.941  -6.941
  400   2HB   ALA  59           HB1      ALA  59  80.662  -6.498  -6.498
  401   3HB   ALA  59           HB3      ALA  59  80.130  -5.247  -5.247
  402    H    ARG  60           HN       ARG  60  84.013  -4.992  -4.992
  403    HA   ARG  60           HA       ARG  60  84.608  -7.389  -7.389
  404   1HB   ARG  60           HB2      ARG  60  86.019  -6.498  -6.498
  405   2HB   ARG  60           HB1      ARG  60  87.092  -6.490  -6.490
  406   1HG   ARG  60           HG2      ARG  60  86.332  -8.829  -8.829
  407   2HG   ARG  60           HG1      ARG  60  85.419  -8.818  -8.818
  408   1HD   ARG  60           HD2      ARG  60  87.288  -9.148  -9.148
  409   2HD   ARG  60           HD1      ARG  60  88.236  -7.985  -7.985
  410    HE   ARG  60           HE       ARG  60  88.157  -9.900  -9.900
  411   1HH1  ARG  60          HH21      ARG  60  86.949 -11.994 -11.994
  412   2HH1  ARG  60          HH22      ARG  60  88.300 -12.796 -12.796
  413   1HH2  ARG  60          HH11      ARG  60  90.489 -10.186 -10.186
  414   2HH2  ARG  60          HH12      ARG  60  90.313 -11.767 -11.767
  415    H    LYS  61           HN       LYS  61  83.544  -4.785  -4.785
  416    HA   LYS  61           HA       LYS  61  85.751  -3.816  -3.816
  417   1HB   LYS  61           HB2      LYS  61  84.342  -2.468  -2.468
  418   2HB   LYS  61           HB1      LYS  61  84.321  -1.542  -1.542
  419   1HG   LYS  61           HG2      LYS  61  86.895  -2.781  -2.781
  420   2HG   LYS  61           HG1      LYS  61  86.336  -1.277  -1.277
  421   1HD   LYS  61           HD2      LYS  61  85.999  -0.512  -0.512
  422   2HD   LYS  61           HD1      LYS  61  87.150  -1.802  -1.802
  423   1HE   LYS  61           HE2      LYS  61  88.828  -0.795  -0.795
  424   2HE   LYS  61           HE1      LYS  61  87.661   0.402   0.402
  425   1HZ   LYS  61           HZ3      LYS  61  87.341   1.144   1.144
  426   2HZ   LYS  61           HZ2      LYS  61  88.574   0.083   0.083
  427   3HZ   LYS  61           HZ1      LYS  61  88.934   1.382   1.382
  428    H    VAL  62           HN       VAL  62  84.210  -5.362  -5.362
  429    HA   VAL  62           HA       VAL  62  81.637  -4.224  -4.224
  430    HB   VAL  62           HB       VAL  62  83.358  -6.447  -6.447
  431   1HG1  VAL  62          HG11      VAL  62  81.585  -5.444  -5.444
  432   2HG1  VAL  62          HG13      VAL  62  80.389  -6.019  -6.019
  433   3HG1  VAL  62          HG12      VAL  62  81.429  -7.170  -7.170
  434   1HG2  VAL  62          HG23      VAL  62  81.825  -6.259  -6.259
  435   2HG2  VAL  62          HG22      VAL  62  82.649  -7.674  -7.674
  436   3HG2  VAL  62          HG21      VAL  62  80.975  -7.346  -7.346
  437    H    THR  63           HN       THR  63  84.951  -3.882  -3.882
  438    HA   THR  63           HA       THR  63  84.411  -2.926  -2.926
  439    HB   THR  63           HB       THR  63  86.492  -4.079  -4.079
  440    HG1  THR  63           HG1      THR  63  87.568  -2.822  -2.822
  441   1HG2  THR  63          HG22      THR  63  86.351  -2.637  -2.637
  442   2HG2  THR  63          HG21      THR  63  87.690  -1.876  -1.876
  443   3HG2  THR  63          HG23      THR  63  87.724  -3.608  -3.608
  444    H    CYS  64           HN       CYS  64  82.724  -1.333  -1.333
  445    HA   CYS  64           HA       CYS  64  83.789   1.064   1.064
  446   1HB   CYS  64           HB2      CYS  64  81.073   0.838   0.838
  447   2HB   CYS  64           HB1      CYS  64  81.534   1.612   1.612
  448    H    VAL  65           HN       VAL  65  83.223   3.252   3.252
  449    HA   VAL  65           HA       VAL  65  84.354   3.410   3.410
  450    HB   VAL  65           HB       VAL  65  83.243   5.392   5.392
  451   1HG1  VAL  65          HG12      VAL  65  83.989   5.743   5.743
  452   2HG1  VAL  65          HG11      VAL  65  84.792   6.859   6.859
  453   3HG1  VAL  65          HG13      VAL  65  83.031   6.788   6.788
  454   1HG2  VAL  65          HG21      VAL  65  85.468   4.106   4.106
  455   2HG2  VAL  65          HG23      VAL  65  85.490   5.860   5.860
  456   3HG2  VAL  65          HG22      VAL  65  86.091   5.117   5.117
  457    H    ARG  66           HN       ARG  66  81.211   4.113   4.113
  458    HA   ARG  66           HA       ARG  66  79.754   3.401   3.401
  459   1HB   ARG  66           HB2      ARG  66  78.864   5.709   5.709
  460   2HB   ARG  66           HB1      ARG  66  80.613   5.629   5.629
  461   1HG   ARG  66           HG2      ARG  66  80.661   6.235   6.235
  462   2HG   ARG  66           HG1      ARG  66  79.048   6.862   6.862
  463   1HD   ARG  66           HD2      ARG  66  81.109   7.641   7.641
  464   2HD   ARG  66           HD1      ARG  66  81.325   8.321   8.321
  465    HE   ARG  66           HE       ARG  66  78.628   8.678   8.678
  466   1HH1  ARG  66          HH21      ARG  66  78.974   8.746   8.746
  467   2HH1  ARG  66          HH22      ARG  66  79.391  10.393  10.393
  468   1HH2  ARG  66          HH11      ARG  66  80.226  11.066  11.066
  469   2HH2  ARG  66          HH12      ARG  66  80.095  11.714  11.714
  470    H    PHE  67           HN       PHE  67  79.765   2.756   2.756
  471    HA   PHE  67           HA       PHE  67  77.764   1.860   1.860
  472   1HB   PHE  67           HB2      PHE  67  76.225   3.100   3.100
  473   2HB   PHE  67           HB1      PHE  67  76.691   4.597   4.597
  474    HD1  PHE  67           HD2      PHE  67  75.571   1.152   1.152
  475    HD2  PHE  67           HD1      PHE  67  75.263   5.388   5.388
  476    HE1  PHE  67           HE2      PHE  67  73.890   0.760   0.760
  477    HE2  PHE  67           HE1      PHE  67  73.584   4.995   4.995
  478    HZ   PHE  67           HZ       PHE  67  72.900   2.680   2.680
  479    HA   PRO  68           HA       PRO  68  78.437   5.320   5.320
  480   1HB   PRO  68           HB2      PRO  68  80.402   7.164   7.164
  481   2HB   PRO  68           HB1      PRO  68  78.688   7.414   7.414
  482   1HG   PRO  68           HG2      PRO  68  80.926   6.564   6.564
  483   2HG   PRO  68           HG1      PRO  68  79.599   7.695   7.695
  484   1HD   PRO  68           HD2      PRO  68  79.600   5.162   5.162
  485   2HD   PRO  68           HD1      PRO  68  78.105   6.017   6.017
  486    H    CYS  69           HN       CYS  69  79.581   2.887   2.887
  487    HA   CYS  69           HA       CYS  69  82.449   3.262   3.262
  488   1HB   CYS  69           HB2      CYS  69  82.353   0.676   0.676
  489   2HB   CYS  69           HB1      CYS  69  82.308   1.534   1.534
  490    H    TYR  70           HN       TYR  70  82.982   2.752   2.752
  491    HA   TYR  70           HA       TYR  70  80.753   2.416   2.416
  492   1HB   TYR  70           HB2      TYR  70  83.745   2.367   2.367
  493   2HB   TYR  70           HB1      TYR  70  82.614   2.499   2.499
  494    HD1  TYR  70           HD1      TYR  70  80.727   4.326   4.326
  495    HD2  TYR  70           HD2      TYR  70  84.795   4.501   4.501
  496    HE1  TYR  70           HE1      TYR  70  80.714   6.787   6.787
  497    HE2  TYR  70           HE2      TYR  70  84.782   6.961   6.961
  498    HH   TYR  70           HH       TYR  70  82.229   8.769   8.769
  499    H    GLN  71           HN       GLN  71  81.817   0.288   0.288
  500    HA   GLN  71           HA       GLN  71  82.388  -1.994  -1.994
  501   1HB   GLN  71           HB2      GLN  71  79.970  -1.353  -1.353
  502   2HB   GLN  71           HB1      GLN  71  80.505  -3.018  -3.018
  503   1HG   GLN  71           HG2      GLN  71  80.256  -1.461  -1.461
  504   2HG   GLN  71           HG1      GLN  71  78.871  -2.300  -2.300
  505   1HE2  GLN  71          HE22      GLN  71  80.447  -4.702  -4.702
  506   2HE2  GLN  71          HE21      GLN  71  79.626  -3.225  -3.225
  507    H    TYR  72           HN       TYR  72  83.900  -0.539  -0.539
  508    HA   TYR  72           HA       TYR  72  84.823  -3.015  -3.015
  509   1HB   TYR  72           HB2      TYR  72  83.779  -2.752  -2.752
  510   2HB   TYR  72           HB1      TYR  72  82.539  -2.274  -2.274
  511    HD1  TYR  72           HD2      TYR  72  84.044   0.541   0.541
  512    HD2  TYR  72           HD1      TYR  72  82.634  -1.525  -1.525
  513    HE1  TYR  72           HE2      TYR  72  83.767   2.706   2.706
  514    HE2  TYR  72           HE1      TYR  72  82.349   0.642   0.642
  515    HH   TYR  72           HH       TYR  72  81.940   3.266   3.266
  516    H    ALA  73           HN       ALA  73  85.821  -1.971  -1.971
  517    HA   ALA  73           HA       ALA  73  87.420   0.447   0.447
  518   1HB   ALA  73           HB3      ALA  73  88.394  -2.114  -2.114
  519   2HB   ALA  73           HB2      ALA  73  88.940  -1.724  -1.724
  520   3HB   ALA  73           HB1      ALA  73  89.404  -0.695  -0.695
  521    H    THR  74           HN       THR  74  85.235  -0.429  -0.429
  522    HA   THR  74           HA       THR  74  84.577   0.076   0.076
  523    HB   THR  74           HB       THR  74  85.544   2.003   2.003
  524    HG1  THR  74           HG1      THR  74  87.913   1.060   1.060
  525   1HG2  THR  74          HG21      THR  74  85.459   1.881   1.881
  526   2HG2  THR  74          HG23      THR  74  86.540   3.138   3.138
  527   3HG2  THR  74          HG22      THR  74  84.850   3.119   3.119
  528    H    VAL  75           HN       VAL  75  84.609  -1.542  -1.542
  529    HA   VAL  75           HA       VAL  75  87.269  -2.490  -2.490
  530    HB   VAL  75           HB       VAL  75  84.599  -3.806  -3.806
  531   1HG1  VAL  75          HG11      VAL  75  86.836  -4.682  -4.682
  532   2HG1  VAL  75          HG13      VAL  75  85.805  -5.869  -5.869
  533   3HG1  VAL  75          HG12      VAL  75  85.100  -4.693  -4.693
  534   1HG2  VAL  75          HG23      VAL  75  87.419  -4.133  -4.133
  535   2HG2  VAL  75          HG22      VAL  75  85.924  -4.049  -4.049
  536   3HG2  VAL  75          HG21      VAL  75  86.324  -5.513  -5.513
  537    H    GLY  76           HN       GLY  76  84.674  -0.548  -0.548
  538   1HA   GLY  76           HA2      GLY  76  85.143   0.321   0.321
  539   2HA   GLY  76           HA1      GLY  76  84.712  -1.332  -1.332
  540    H    LYS  77           HN       LYS  77  83.451   1.773   1.773
  541    HA   LYS  77           HA       LYS  77  80.805   0.996   0.996
  542   1HB   LYS  77           HB2      LYS  77  80.214   3.324   3.324
  543   2HB   LYS  77           HB1      LYS  77  81.205   3.261   3.261
  544   1HG   LYS  77           HG2      LYS  77  83.134   3.925   3.925
  545   2HG   LYS  77           HG1      LYS  77  82.671   3.124   3.124
  546   1HD   LYS  77           HD2      LYS  77  80.745   4.988   4.988
  547   2HD   LYS  77           HD1      LYS  77  81.968   5.849   5.849
  548   1HE   LYS  77           HE2      LYS  77  83.588   5.598   5.598
  549   2HE   LYS  77           HE1      LYS  77  82.416   4.642   4.642
  550   1HZ   LYS  77           HZ2      LYS  77  80.860   6.516   6.516
  551   2HZ   LYS  77           HZ1      LYS  77  82.028   7.442   7.442
  552   3HZ   LYS  77           HZ3      LYS  77  82.297   6.970   6.970
  553    H    VAL  78           HN       VAL  78  78.881   1.213   1.213
  554    HA   VAL  78           HA       VAL  78  78.993   1.124   1.124
  555    HB   VAL  78           HB       VAL  78  76.822  -0.510  -0.510
  556   1HG1  VAL  78          HG11      VAL  78  77.885  -0.504  -0.504
  557   2HG1  VAL  78          HG13      VAL  78  79.248  -1.363  -1.363
  558   3HG1  VAL  78          HG12      VAL  78  77.647  -2.101  -2.101
  559   1HG2  VAL  78          HG23      VAL  78  79.642  -1.387  -1.387
  560   2HG2  VAL  78          HG22      VAL  78  78.389  -0.926  -0.926
  561   3HG2  VAL  78          HG21      VAL  78  78.186  -2.368  -2.368
  562    H    ALA  79           HN       ALA  79  78.454   3.306   3.306
  563    HA   ALA  79           HA       ALA  79  76.711   4.567   4.567
  564   1HB   ALA  79           HB1      ALA  79  77.767   5.055   5.055
  565   2HB   ALA  79           HB3      ALA  79  76.470   6.120   6.120
  566   3HB   ALA  79           HB2      ALA  79  77.963   5.997   5.997
  567    HA   PRO  80           HA       PRO  80  72.810   4.515   4.515
  568   1HB   PRO  80           HB2      PRO  80  72.940   3.523   3.523
  569   2HB   PRO  80           HB1      PRO  80  73.329   5.192   5.192
  570   1HG   PRO  80           HG2      PRO  80  75.165   2.909   2.909
  571   2HG   PRO  80           HG1      PRO  80  75.324   4.606   4.606
  572   1HD   PRO  80           HD2      PRO  80  76.653   3.536   3.536
  573   2HD   PRO  80           HD1      PRO  80  76.178   5.240   5.240
  574    H    GLY  81           HN       GLY  81  72.448   2.732   2.732
  575   1HA   GLY  81           HA2      GLY  81  71.820   0.532   0.532
  576   2HA   GLY  81           HA1      GLY  81  70.992   0.576   0.576
  577    H    ALA  82           HN       ALA  82  74.448   0.871   0.871
  578    HA   ALA  82           HA       ALA  82  76.162  -0.594  -0.594
  579   1HB   ALA  82           HB3      ALA  82  74.249  -2.175  -2.175
  580   2HB   ALA  82           HB2      ALA  82  74.834  -3.126  -3.126
  581   3HB   ALA  82           HB1      ALA  82  75.976  -2.472  -2.472
  582    H    GLN  83           HN       GLN  83  73.974   0.436   0.436
  583    HA   GLN  83           HA       GLN  83  74.865  -0.440  -0.440
  584   1HB   GLN  83           HB2      GLN  83  73.266  -2.394  -2.394
  585   2HB   GLN  83           HB1      GLN  83  72.333  -1.795  -1.795
  586   1HG   GLN  83           HG2      GLN  83  74.468  -2.153  -2.153
  587   2HG   GLN  83           HG1      GLN  83  75.062  -3.099  -3.099
  588   1HE2  GLN  83          HE22      GLN  83  72.208  -5.458  -5.458
  589   2HE2  GLN  83          HE21      GLN  83  72.765  -4.469  -4.469
  590    H    LEU  84           HN       LEU  84  71.562  -0.215  -0.215
  591    HA   LEU  84           HA       LEU  84  71.157   2.298   2.298
  592   1HB   LEU  84           HB2      LEU  84  69.098   1.442   1.442
  593   2HB   LEU  84           HB1      LEU  84  70.064  -0.015  -0.015
  594    HG   LEU  84           HG       LEU  84  68.658   0.694   0.694
  595   1HD1  LEU  84          HD13      LEU  84  67.268  -0.055  -0.055
  596   2HD1  LEU  84          HD12      LEU  84  66.605  -0.518  -0.518
  597   3HD1  LEU  84          HD11      LEU  84  66.824   1.186   1.186
  598   1HD2  LEU  84          HD22      LEU  84  70.025  -1.372  -1.372
  599   2HD2  LEU  84          HD21      LEU  84  68.340  -1.731  -1.731
  600   3HD2  LEU  84          HD23      LEU  84  68.930  -1.878  -1.878
  601    H    ARG  85           HN       ARG  85  70.384   4.028   4.028
  602    HA   ARG  85           HA       ARG  85  70.392   3.722   3.722
  603   1HB   ARG  85           HB2      ARG  85  70.034   6.160   6.160
  604   2HB   ARG  85           HB1      ARG  85  71.281   5.676   5.676
  605   1HG   ARG  85           HG2      ARG  85  69.975   6.166   6.166
  606   2HG   ARG  85           HG1      ARG  85  68.470   5.778   5.778
  607   1HD   ARG  85           HD2      ARG  85  68.344   7.877   7.877
  608   2HD   ARG  85           HD1      ARG  85  70.087   8.170   8.170
  609    HE   ARG  85           HE       ARG  85  69.310   7.976   7.976
  610   1HH1  ARG  85          HH21      ARG  85  66.693   8.723   8.723
  611   2HH1  ARG  85          HH22      ARG  85  66.647  10.436  10.436
  612   1HH2  ARG  85          HH11      ARG  85  69.853  10.600  10.600
  613   2HH2  ARG  85          HH12      ARG  85  68.437  11.497  11.497
  614    H    SER  86           HN       SER  86  68.246   2.130   2.130
  615    HA   SER  86           HA       SER  86  66.011   3.135   3.135
  616   1HB   SER  86           HB2      SER  86  66.237   4.051   4.051
  617   2HB   SER  86           HB1      SER  86  65.104   2.709   2.709
  618    HG   SER  86           HG       SER  86  63.846   4.395   4.395
  619    H    LEU  87           HN       LEU  87  66.543   0.974   0.974
  620    HA   LEU  87           HA       LEU  87  64.794  -1.100  -1.100
  621   1HB   LEU  87           HB2      LEU  87  66.465  -2.534  -2.534
  622   2HB   LEU  87           HB1      LEU  87  66.973  -0.927  -0.927
  623    HG   LEU  87           HG       LEU  87  67.996  -1.508  -1.508
  624   1HD1  LEU  87          HD13      LEU  87  67.909  -3.775  -3.775
  625   2HD1  LEU  87          HD12      LEU  87  69.574  -3.197  -3.197
  626   3HD1  LEU  87          HD11      LEU  87  68.801  -3.600  -3.600
  627   1HD2  LEU  87          HD22      LEU  87  68.782  -0.270  -0.270
  628   2HD2  LEU  87          HD21      LEU  87  69.491  -0.096  -0.096
  629   3HD2  LEU  87          HD23      LEU  87  70.060  -1.367  -1.367
  630    HA   PRO  88           HA       PRO  88  65.214  -3.014  -3.014
  631   1HB   PRO  88           HB2      PRO  88  65.619  -5.676  -5.676
  632   2HB   PRO  88           HB1      PRO  88  64.058  -4.874  -4.874
  633   1HG   PRO  88           HG2      PRO  88  66.138  -5.582  -5.582
  634   2HG   PRO  88           HG1      PRO  88  64.374  -5.701  -5.701
  635   1HD   PRO  88           HD2      PRO  88  65.785  -3.701  -3.701
  636   2HD   PRO  88           HD1      PRO  88  64.126  -3.486  -3.486
  637    H    SER  89           HN       SER  89  67.030  -2.519  -2.519
  638    HA   SER  89           HA       SER  89  69.713  -3.258  -3.258
  639   1HB   SER  89           HB2      SER  89  68.536  -1.207  -1.207
  640   2HB   SER  89           HB1      SER  89  69.477  -2.089  -2.089
  641    HG   SER  89           HG       SER  89  71.290  -1.681  -1.681
  642    HA   PRO  90           HA       PRO  90  70.069  -6.783  -6.783
  643   1HB   PRO  90           HB2      PRO  90  72.306  -7.718  -7.718
  644   2HB   PRO  90           HB1      PRO  90  70.693  -7.820  -7.820
  645   1HG   PRO  90           HG2      PRO  90  72.952  -6.174  -6.174
  646   2HG   PRO  90           HG1      PRO  90  71.446  -6.497  -6.497
  647   1HD   PRO  90           HD2      PRO  90  72.182  -4.190  -4.190
  648   2HD   PRO  90           HD1      PRO  90  70.851  -4.374  -4.374
  649    H    GLY  91           HN       GLY  91  72.614  -7.852  -7.852
  650   1HA   GLY  91           HA2      GLY  91  74.730  -6.266  -6.266
  651   2HA   GLY  91           HA1      GLY  91  73.572  -6.153  -6.153
  652    H    ALA  92           HN       ALA  92  73.198  -7.947  -7.947
  653    HA   ALA  92           HA       ALA  92  73.419 -10.135 -10.135
  654   1HB   ALA  92           HB2      ALA  92  73.380 -10.662 -10.662
  655   2HB   ALA  92           HB1      ALA  92  75.125 -10.855 -10.855
  656   3HB   ALA  92           HB3      ALA  92  74.031 -11.884 -11.884
  657    H    THR  93           HN       THR  93  74.694  -9.636  -9.636
  658    HA   THR  93           HA       THR  93  76.611  -9.461  -9.461
  659    HB   THR  93           HB       THR  93  77.726 -11.338 -11.338
  660    HG1  THR  93           HG1      THR  93  76.340 -12.227 -12.227
  661   1HG2  THR  93          HG22      THR  93  78.291 -10.813 -10.813
  662   2HG2  THR  93          HG21      THR  93  78.648 -12.386 -12.386
  663   3HG2  THR  93          HG23      THR  93  79.429 -10.937 -10.937
  664    H    VAL  94           HN       VAL  94  76.430  -7.735  -7.735
  665    HA   VAL  94           HA       VAL  94  79.325  -7.073  -7.073
  666    HB   VAL  94           HB       VAL  94  78.128  -7.707  -7.707
  667   1HG1  VAL  94          HG12      VAL  94  76.357  -5.361  -5.361
  668   2HG1  VAL  94          HG11      VAL  94  76.364  -6.129  -6.129
  669   3HG1  VAL  94          HG13      VAL  94  75.869  -7.046  -7.046
  670   1HG2  VAL  94          HG21      VAL  94  79.934  -5.891  -5.891
  671   2HG2  VAL  94          HG23      VAL  94  78.874  -5.867  -5.867
  672   3HG2  VAL  94          HG22      VAL  94  78.618  -4.718  -4.718
  673    H    THR  95           HN       THR  95  79.970  -5.031  -5.031
  674    HA   THR  95           HA       THR  95  78.080  -3.382  -3.382
  675    HB   THR  95           HB       THR  95  80.515  -3.944  -3.944
  676    HG1  THR  95           HG1      THR  95  79.889  -1.183  -1.183
  677   1HG2  THR  95          HG23      THR  95  80.816  -3.161  -3.161
  678   2HG2  THR  95          HG22      THR  95  81.451  -1.800  -1.800
  679   3HG2  THR  95          HG21      THR  95  82.117  -3.413  -3.413
  680    H    VAL  96           HN       VAL  96  77.824  -1.023  -1.023
  681    HA   VAL  96           HA       VAL  96  78.571  -0.419  -0.419
  682    HB   VAL  96           HB       VAL  96  76.110  -1.699  -1.699
  683   1HG1  VAL  96          HG11      VAL  96  75.384   0.794   0.794
  684   2HG1  VAL  96          HG13      VAL  96  75.631   0.754   0.754
  685   3HG1  VAL  96          HG12      VAL  96  74.442  -0.310  -0.310
  686   1HG2  VAL  96          HG21      VAL  96  77.422  -0.883  -0.883
  687   2HG2  VAL  96          HG23      VAL  96  77.240  -2.499  -2.499
  688   3HG2  VAL  96          HG22      VAL  96  75.840  -1.660  -1.660
  689    H    GLY  97           HN       GLY  97  78.851   1.693   1.693
  690   1HA   GLY  97           HA2      GLY  97  77.934   3.521   3.521
  691   2HA   GLY  97           HA1      GLY  97  79.052   3.935   3.935
  692    H    GLN  98           HN       GLN  98  75.675   3.049   3.049
  693    HA   GLN  98           HA       GLN  98  74.663   3.579   3.579
  694   1HB   GLN  98           HB2      GLN  98  73.634   3.108   3.108
  695   2HB   GLN  98           HB1      GLN  98  72.758   4.401   4.401
  696   1HG   GLN  98           HG2      GLN  98  72.696   1.486   1.486
  697   2HG   GLN  98           HG1      GLN  98  71.542   2.719   2.719
  698   1HE2  GLN  98          HE22      GLN  98  73.500   3.406   3.406
  699   2HE2  GLN  98          HE21      GLN  98  72.763   4.275   4.275
  700    H    ASP  99           HN       ASP  99  74.829   5.591   5.591
  701    HA   ASP  99           HA       ASP  99  74.088   7.824   7.824
  702   1HB   ASP  99           HB2      ASP  99  76.234   8.225   8.225
  703   2HB   ASP  99           HB1      ASP  99  76.260   7.313   7.313
  704    H    LEU 100           HN       LEU 100  72.388   8.839   8.839
  705    HA   LEU 100           HA       LEU 100  71.087   8.665   8.665
  706   1HB   LEU 100           HB2      LEU 100  70.365   7.754   7.754
  707   2HB   LEU 100           HB1      LEU 100  69.388   9.207   9.207
  708    HG   LEU 100           HG       LEU 100  68.797   8.219   8.219
  709   1HD1  LEU 100          HD13      LEU 100  70.279   5.966   5.966
  710   2HD1  LEU 100          HD12      LEU 100  69.008   5.629   5.629
  711   3HD1  LEU 100          HD11      LEU 100  70.426   6.560   6.560
  712   1HD2  LEU 100          HD22      LEU 100  67.378   8.139   8.139
  713   2HD2  LEU 100          HD21      LEU 100  67.008   6.940   6.940
  714   3HD2  LEU 100          HD23      LEU 100  67.956   6.484   6.484
  715    H    GLY 101           HN       GLY 101  72.888  10.738  10.738
  716   1HA   GLY 101           HA2      GLY 101  72.517  13.069  13.069
  717   2HA   GLY 101           HA1      GLY 101  71.059  13.084  13.084
  718    H    ASP 102           HN       ASP 102  72.334  11.642  11.642
  719    HA   ASP 102           HA       ASP 102  73.328  12.280  12.280
  720   1HB   ASP 102           HB2      ASP 102  75.108  11.664  11.664
  721   2HB   ASP 102           HB1      ASP 102  75.507  13.371  13.371