*HEADER    HYDROLASE                               30-JUL-01   1JOK              
*TITLE     AVERAGED STRUCTURE FOR STAPHYLOCOCCAL NUCLEASE-H124L IN               
*TITLE    2 TERNARY COMPLEX WITH CA2+ AND THYMIDINE-3',5'-BISPHOSPHATE           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: STAPHYLOCOCCAL NUCLEASE;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NUCLEASE A;                                                
*COMPND   5 SYNONYM: THERMONUCLEASE, TNASE, MICROCOCCAL NUCLEASE;                
*COMPND   6 EC: 3.1.31.1;                                                        
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS;                          
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL-21(DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PTSN2CC                                   
*KEYWDS    TERNARY COMPLEX, BETA BARREL, ALPHA HELIX                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    J.WANG, D.M.TRUCKSES, F.ABILDGAARD, Z.DZAKULA, Z.ZOLNAI,              
*AUTHOR   2 J.L.MARKLEY                                                          
*REVDAT   1   22-AUG-01 1JOK    0                                                
!h124lcsp_noe.tbl
!distance constraints of h124l (range:1.8-2.7,3.5,5.3,6.5)
!stereospecific hb1-->hbr for Asp,Asn,Ser,Cys,Met
!setreospecific hb1-->hbs for Leu,Lys,Arg,Glu,Gln,His,Tyr,Phe,Trp,Pro
!Leu 7
assign (resid 7 and name hn and segid A) (resid 7 and name hb# and segid A) 3.4 1.6 0.1 
assign (resid 7 and name hn and segid A) (resid 7 and name hd* and segid A) 5.6 3.8 0.9 
assign (resid 7 and name hn and segid A) (resid 7 and name hg and segid A) 3.0 1.2 0.5 
!His 8
assign (resid 8 and name hn and segid A) (resid 9 and name hn and segid A) 4.0 2.2 1.3   
assign (resid 8 and name hn and segid A) (resid 7 and name hn and segid A) 5.8 4.0 0.7  
assign (resid 8 and name hn and segid A) (resid 8 and name ha and segid A) 2.9 1.1 0.6
assign (resid 8 and name hn and segid A) (resid 8 and name hb1 and segid A) 2.7 0.9 0.8       
assign (resid 8 and name hn and segid A) (resid 8 and name hb2 and segid A) 3.4 1.6 0.1 
assign (resid 8 and name hn and segid A) (resid 75 and name ha and segid A) 5.0 3.2 0.3
assign (resid 8 and name hn and segid A) (resid 75 and name hg1 and segid A) 3.4 1.6 0.1 
assign (resid 8 and name hn and segid A) (resid 75 and name hg2 and segid A) 4.6 2.8 0.7 
assign (resid 8 and name hn and segid A) (resid 7 and name hd1# and segid A) 4.5 2.7 0.8 
assign (resid 8 and name hn and segid A) (resid 7 and name hg and segid A) 5.5 3.7 1.0     
assign (resid 8 and name hn and segid A) (resid 8 and name hd2 and segid A) 4.5 2.7 0.8
assign (resid 8 and name ha and segid A) (resid 8 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 8 and name ha and segid A) (resid 8 and name hb2 and segid A) 2.4 0.6 0.3 
assign (resid 8 and name hd2 and segid A) (resid 8 and name hb2 and segid A) 3.4 1.6 0.1 
assign (resid 8 and name hd2 and segid A) (resid 8 and name hb1 and segid A) 3.5 1.7 1.8 
!Lys 9
assign (resid 9 and name hn and segid A) (resid 8 and name ha and segid A) 2.4 0.6 0.3
assign (resid 9 and name hn and segid A) (resid 9 and name ha and segid A) 3.2 1.4 0.3
assign (resid 9 and name hn and segid A) (resid 8 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 9 and name hn and segid A) (resid 8 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 9 and name hn and segid A) (resid 9 and name hg2 and segid A) 2.9 1.1 0.6 
assign (resid 9 and name hn and segid A) (resid 9 and name hd# and segid A) 3.8 2.0 1.5
assign (resid 9 and name hn and segid A) (resid 9 and name hg1 and segid A) 2.8 1.0 0.7 
assign (resid 9 and name hn and segid A) (resid 9 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 9 and name hn and segid A) (resid 9 and name hb2 and segid A) 2.6 0.8 0.1 
assign (resid 9 and name ha and segid A) (resid 9 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 9 and name ha and segid A) (resid 9 and name hb2 and segid A) 4.4 2.6 0.9 
!Glu 10
assign (resid 10 and name hn and segid A) (resid 9 and name ha and segid A) 2.5 0.7 0.2
assign (resid 10 and name hn and segid A) (resid 10 and name ha and segid A) 3.2 1.4 0.3
assign (resid 10 and name hn and segid A) (resid 10 and name hb2 and segid A) 3.0 1.2 0.5   
assign (resid 10 and name hn and segid A) (resid 10 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 10 and name hn and segid A) (resid 10 and name hg2 and segid A) 4.0 2.2 1.3 
assign (resid 10 and name hn and segid A) (resid 9 and name hb1 and segid A) 3.2 1.4 0.3   
assign (resid 10 and name hn and segid A) (resid 9 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 10 and name hn and segid A) (resid 74 and name hg1# and segid A) 5.5 3.7 1.0 
assign (resid 10 and name hn and segid A) (resid 74 and name hg2# and segid A) 4.5 2.7 0.8 
assign (resid 10 and name hn and segid A) (resid 75 and name hb1 and segid A) 5.5 3.7 1.0  
assign (resid 10 and name hn and segid A) (resid 75 and name hb2 and segid A) 4.1 2.3 1.2  
assign (resid 10 and name hn and segid A) (resid 9 and name hg2 and segid A) 4.1 2.3 1.2 
assign (resid 10 and name hn and segid A) (resid 74 and name hb and segid A) 4.0 2.2 1.3
assign (resid 10 and name ha and segid A) (resid 10 and name hg2 and segid A) 2.9 1.1 0.6 
assign (resid 10 and name ha and segid A) (resid 10 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 10 and name ha and segid A) (resid 10 and name hb2 and segid A) 4.0 2.2 1.3  
!pro 11
assign (resid 11 and name hd# and segid A) (resid 10 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 11 and name ha and segid A) (resid 11 and name hb1 and segid A) 2.7 0.9 0.8  
assign (resid 11 and name ha and segid A) (resid 11 and name hb2 and segid A) 3.2 1.4 0.3
assign (resid 11 and name ha and segid A) (resid 11 and name hg# and segid A) 5.4 3.6 1.1 
!Ala 12
assign (resid 12 and name hn and segid A) (resid 11 and name ha and segid A) 2.4 0.6 0.3 
assign (resid 12 and name hn and segid A) (resid 12 and name ha and segid A) 2.9 1.1 0.6
assign (resid 12 and name hn and segid A) (resid 73 and name ha and segid A) 3.2 1.4 0.3
assign (resid 12 and name hn and segid A) (resid 11 and name hg# and segid A) 5.4 3.6 1.1 
assign (resid 12 and name hn and segid A) (resid 11 and name hb1 and segid A) 3.3 1.5 0.2 
assign (resid 12 and name hn and segid A) (resid 11 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 12 and name hn and segid A) (resid 12 and name hb# and segid A) 3.5 1.7 1.8
assign (resid 12 and name hn and segid A) (resid 72 and name hg2# and segid A) 4.7 2.9 0.6 
assign (resid 12 and name hn and segid A) (resid 74 and name hn and segid A) 4.2 2.4 1.1
assign (resid 12 and name ha and segid A) (resid 12 and name hb# and segid A) 4.3 2.5 1.0 
assign (resid 12 and name ha and segid A) (resid 27 and name ha and segid A) 3.0 1.2 0.5  
!Thr 13
assign (resid 13 and name hn and segid A) (resid 13 and name ha and segid A) 3.6 1.8 1.7     
assign (resid 13 and name hn and segid A) (resid 13 and name hb and segid A) 3.3 1.5 0.2   
assign (resid 13 and name hn and segid A) (resid 26 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 13 and name hn and segid A) (resid 25 and name hd1# and segid A) 6.0 4.2 0.5    
assign (resid 13 and name hn and segid A) (resid 12 and name ha and segid A) 2.6 0.8 0.9
assign (resid 13 and name hn and segid A) (resid 12 and name hb# and segid A) 3.7 1.9 1.6
assign (resid 13 and name hn and segid A) (resid 25 and name ha and segid A) 4.3 2.5 1.0   
assign (resid 13 and name hn and segid A) (resid 25 and name hb2 and segid A) 3.4 2.6 0.1    
assign (resid 13 and name hn and segid A) (resid 25 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 13 and name hn and segid A) (resid 26 and name hn and segid A) 3.2 1.4 0.3   
assign (resid 13 and name hn and segid A) (resid 14 and name hn and segid A) 4.2 2.4 1.1   
assign (resid 13 and name ha and segid A) (resid 72 and name hb and segid A) 3.6 1.8 1.7  
assign (resid 13 and name ha and segid A) (resid 13 and name hg2# and segid A) 4.3 2.5 1.0 
assign (resid 13 and name ha and segid A) (resid 14 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 13 and name ha and segid A) (resid 13 and name hb and segid A) 3.0 1.2 0.5  
assign (resid 13 and name ha and segid A) (resid 72 and name hd1# and segid A) 4.4 2.6 0.9 
assign (resid 13 and name hb and segid A) (resid 13 and name hg2# and segid A) 4.0 2.2 1.3 
!Leu 14
assign (resid 14 and name hn and segid A) (resid 72 and name hg2# and segid A) 5.3 3.5 1.2  
assign (resid 14 and name hn and segid A) (resid 14 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 14 and name hn and segid A) (resid 14 and name hd2# and segid A) 5.4 3.6 1.1 
assign (resid 14 and name hn and segid A) (resid 13 and name hg2# and segid A) 4.2 2.4 1.1 
assign (resid 14 and name hn and segid A) (resid 14 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 14 and name hn and segid A) (resid 14 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 14 and name hn and segid A) (resid 14 and name ha and segid A) 3.0 1.2 0.5      
assign (resid 14 and name hn and segid A) (resid 13 and name hb and segid A) 4.0 2.2 1.3         
assign (resid 14 and name hn and segid A) (resid 13 and name ha and segid A) 2.9 1.1 0.6 
assign (resid 14 and name ha and segid A) (resid 14 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 14 and name ha and segid A) (resid 25 and name ha and segid A) 4.5 2.7 0.8 
assign (resid 14 and name ha and segid A) (resid 14 and name hd1# and segid A) 4.1 2.3 1.2 
assign (resid 14 and name hn and segid A) (resid 15 and name hn and segid A) 5.9 4.1 0.6  
assign (resid 14 and name hn and segid A) (resid 72 and name hd1# and segid A) 4.0 2.2 1.3 
!Ile 15
assign (resid 15 and name hn and segid A) (resid 16 and name hn and segid A) 2.7 0.9 0.8      
assign (resid 15 and name hn and segid A) (resid 14 and name ha and segid A) 3.0 1.2 0.5      
assign (resid 15 and name hn and segid A) (resid 14 and name hb1 and segid A) 4.5 2.7 0.8  
assign (resid 15 and name hn and segid A) (resid 15 and name hb and segid A) 2.8 1.0 0.7         
assign (resid 15 and name hn and segid A) (resid 15 and name hg11 and segid A) 3.2 1.4 0.3  
assign (resid 15 and name hn and segid A) (resid 15 and name hd1# and segid A) 5.2 3.4 1.3 
assign (resid 15 and name hn and segid A) (resid 15 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 15 and name hn and segid A) (resid 15 and name ha and segid A) 3.2 1.4 0.3
assign (resid 15 and name hn and segid A) (resid 14 and name hb2 and segid A) 4.8 3.0 0.5 
assign (resid 15 and name hn and segid A) (resid 14 and name hd1# and segid A) 5.0 3.2 0.3 
!Lys 16
assign (resid 16 and name hn and segid A) (resid 16 and name ha and segid A) 3.3 1.5 0.2      
assign (resid 16 and name hn and segid A) (resid 15 and name ha and segid A) 3.6 1.8 1.7 
assign (resid 16 and name hn and segid A) (resid 16 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 16 and name hn and segid A) (resid 15 and name hb and segid A) 2.5 0.7 1.0         
assign (resid 16 and name hn and segid A) (resid 15 and name hg11 and segid A) 5.0 3.2 0.3  
assign (resid 16 and name hn and segid A) (resid 14 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 16 and name hn and segid A) (resid 16 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 16 and name hn and segid A) (resid 25 and name ha and segid A) 4.2 2.4 1.1 
assign (resid 16 and name hn and segid A) (resid 24 and name hb2 and segid A) 2.7 0.9 0.8
assign (resid 16 and name hn and segid A) (resid 24 and name hd1 and segid A) 5.4 3.6 1.1 
assign (resid 16 and name hn and segid A) (resid 15 and name hd1# and segid A) 5.8 4.0 0.7    
assign (resid 16 and name hn and segid A) (resid 15 and name hg2# and segid A) 4.2 2.4 1.1   
assign (resid 16 and name hn and segid A) (resid 14 and name ha and segid A) 3.8 2.0 1.5 
assign (resid 16 and name ha and segid A) (resid 16 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 16 and name ha and segid A) (resid 16 and name hb2 and segid A) 2.6 0.8 0.1 
!Ala 17
assign (resid 17 and name hn and segid A) (resid 16 and name ha and segid A) 3.3 1.5 0.2            
assign (resid 17 and name hn and segid A) (resid 17 and name ha and segid A) 3.3 1.5 0.2            
assign (resid 17 and name hn and segid A) (resid 16 and name hn and segid A) 3.6 1.8 1.7    
assign (resid 17 and name hn and segid A) (resid 16 and name hb2 and segid A) 3.5 1.7 1.8
assign (resid 17 and name hn and segid A) (resid 66 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 17 and name hn and segid A) (resid 16 and name hg# and segid A) 3.6 1.8 1.7 
assign (resid 17 and name hn and segid A) (resid 17 and name hb# and segid A) 3.6 1.8 1.7 
assign (resid 17 and name hn and segid A) (resid 18 and name hg11 and segid A) 5.0 3.2 0.3 
assign (resid 17 and name hn and segid A) (resid 14 and name hd2# and segid A) 4.8 3.0 0.5 
assign (resid 17 and name hn and segid A) (resid 14 and name hd1# and segid A) 4.6 2.8 0.7 
!Ile 18
assign (resid 18 and name hn and segid A) (resid 17 and name hn and segid A) 4.7 2.9 0.6   
assign (resid 18 and name hn and segid A) (resid 17 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 18 and name hn and segid A) (resid 23 and name ha and segid A) 3.0 1.2 0.5 
assign (resid 18 and name hn and segid A) (resid 18 and name ha and segid A) 3.2 1.4 0.3 
assign (resid 18 and name hn and segid A) (resid 23 and name hg1# and segid A) 4.3 2.5 1.0  
assign (resid 18 and name hn and segid A) (resid 18 and name hb and segid A) 3.2 1.4 0.3
assign (resid 18 and name hn and segid A) (resid 22 and name hb and segid A) 4.9 3.1 0.4
assign (resid 18 and name hn and segid A) (resid 17 and name hb# and segid A) 4.4 2.6 0.9 
assign (resid 18 and name hn and segid A) (resid 18 and name hg11 and segid A) 3.3 1.5 0.2 
assign (resid 18 and name hn and segid A) (resid 24 and name hn and segid A) 4.1 2.3 1.2 
!Asp 19
assign (resid 19 and name hn and segid A) (resid 22 and name hn and segid A) 3.1 1.3 0.4       
assign (resid 19 and name hn and segid A) (resid 22 and name hb and segid A) 3.3 1.5 0.2       
assign (resid 19 and name hn and segid A) (resid 18 and name hn and segid A) 2.6 0.8 0.9  
assign (resid 19 and name hn and segid A) (resid 19 and name ha and segid A) 3.3 1.5 0.2     
assign (resid 19 and name hn and segid A) (resid 18 and name ha and segid A) 3.6 1.8 1.7    
assign (resid 19 and name hn and segid A) (resid 19 and name hb2 and segid A) 4.4 2.6 0.9 
assign (resid 19 and name hn and segid A) (resid 19 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 19 and name hn and segid A) (resid 18 and name hg2# and segid A) 4.2 2.4 1.1 
assign (resid 19 and name hn and segid A) (resid 18 and name hg11 and segid A) 4.5 2.7 0.8 
assign (resid 19 and name hn and segid A) (resid 17 and name hb# and segid A) 5.4 3.6 1.1  
assign (resid 19 and name hn and segid A) (resid 18 and name hb and segid A) 2.7 0.9 0.8   
assign (resid 19 and name hn and segid A) (resid 23 and name hg1# and segid A) 4.8 3.0 0.5 
assign (resid 19 and name hn and segid A) (resid 22 and name hg2# and segid A) 5.1 3.3 0.2      
assign (resid 19 and name hn and segid A) (resid 59 and name ha and segid A) 5.2 3.4 0.1             
assign (resid 19 and name ha and segid A) (resid 19 and name hb1 and segid A) 3.2 1.4 0.3             
assign (resid 19 and name ha and segid A) (resid 19 and name hb2 and segid A) 2.7 0.9 0.8             
!Gly 20
assign (resid 20 and name hn and segid A) (resid 20 and name ha1 and segid A) 3.4 1.6 0.1   
assign (resid 20 and name hn and segid A) (resid 20 and name ha2 and segid A) 3.4 1.6 0.1 
assign (resid 20 and name hn and segid A) (resid 59 and name hb# and segid A) 4.7 2.9 0.6 
assign (resid 20 and name hn and segid A) (resid 19 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 20 and name hn and segid A) (resid 19 and name hb1 and segid A) 3.6 1.8 1.7  
assign (resid 20 and name hn and segid A) (resid 58 and name hb# and segid A) 6.0 4.2 0.5 
assign (resid 20 and name hn and segid A) (resid 21 and name hn and segid A) 4.5 2.7 0.8  
assign (resid 20 and name hn and segid A) (resid 22 and name hn and segid A) 5.1 3.3 0.2   
assign (resid 20 and name hn and segid A) (resid 19 and name ha and segid A) 4.5 2.7 0.8 
assign (resid 20 and name hn and segid A) (resid 41 and name hg2# and segid A) 5.9 4.1 0.6
assign (resid 20 and name hn and segid A) (resid 44 and name hg2# and segid A) 6.0 4.2 0.5 
assign (resid 20 and name ha1 and segid A) (resid 103 and name hd1# and segid A) 6.0 4.2 0.5 
!Asp 21
assign (resid 21 and name hn and segid A) (resid 22 and name hg2# and segid A) 5.3 3.5 1.2 
assign (resid 21 and name hn and segid A) (resid 21 and name ha and segid A) 5.5 3.7 1.0 
assign (resid 21 and name ha and segid A) (resid 21 and name hb# and segid A) 4.0 2.8 1.3 
assign (resid 21 and name ha and segid A) (resid 36 and name hd* and segid A) 4.6 2.8 0.7 
assign (resid 21 and name hn and segid A) (resid 35 and name hd2 and segid A) 5.6 3.8 0.9 
!Thr 22
assign (resid 22 and name hn and segid A) (resid 20 and name ha1 and segid A) 4.6 2.8 0.7  
assign (resid 22 and name hn and segid A) (resid 22 and name hg2# and segid A) 5.0 3.2 0.3 
assign (resid 22 and name hn and segid A) (resid 22 and name hb and segid A) 2.9 1.1 0.6  
assign (resid 22 and name hn and segid A) (resid 22 and name ha and segid A) 3.5 1.7 0.0 
assign (resid 22 and name hn and segid A) (resid 21 and name ha and segid A) 3.4 1.6 0.1  
assign (resid 22 and name hn and segid A) (resid 23 and name hn and segid A) 4.7 2.9 0.6  
assign (resid 22 and name hn and segid A) (resid 62 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 22 and name ha and segid A) (resid 35 and name hd1 and segid A) 3.7 1.9 1.6 
assign (resid 22 and name ha and segid A) (resid 22 and name hb and segid A) 2.9 1.1 0.6    
assign (resid 22 and name ha and segid A) (resid 35 and name ha and segid A) 2.6 0.8 0.9  
assign (resid 22 and name ha and segid A) (resid 36 and name hb2 and segid A) 5.4 3.6 1.1 
assign (resid 22 and name ha and segid A) (resid 35 and name hb# and segid A) 5.0 3.2 0.3  
assign (resid 22 and name ha and segid A) (resid 22 and name hg2# and segid A) 4.4 2.6 0.9 
assign (resid 22 and name ha and segid A) (resid 23 and name hg1# and segid A) 4.7 2.9 0.6 
assign (resid 22 and name ha and segid A) (resid 23 and name hg2# and segid A) 5.0 3.2 0.3 
assign (resid 22 and name hb and segid A) (resid 22 and name hg2# and segid A) 4.4 2.6 0.9 
assign (resid 22 and name hb and segid A) (resid 18 and name hg2# and segid A) 4.8 2.8 0.5 
!Val 23
assign (resid 23 and name hn and segid A) (resid 22 and name ha and segid A) 2.5 0.7 0.2   
assign (resid 23 and name hn and segid A) (resid 23 and name ha and segid A) 3.8 2.0 1.5  
assign (resid 23 and name hn and segid A) (resid 34 and name hb2 and segid A) 4.4 2.6 0.9 
assign (resid 23 and name hn and segid A) (resid 23 and name hb and segid A) 3.6 1.8 1.7 
assign (resid 23 and name hn and segid A) (resid 22 and name hg2# and segid A) 4.6 2.8 0.7 
assign (resid 23 and name hn and segid A) (resid 23 and name hg2# and segid A) 3.7 1.9 1.6 
assign (resid 23 and name hn and segid A) (resid 23 and name hg1# and segid A) 4.5 2.7 0.8 
assign (resid 23 and name hn and segid A) (resid 34 and name hb1 and segid A) 4.9 3.1 0.4 
assign (resid 23 and name ha and segid A) (resid 18 and name hd1# and segid A) 5.6 3.8 0.9   
assign (resid 23 and name ha and segid A) (resid 23 and name hg1# and segid A) 5.6 3.8 0.9    
assign (resid 23 and name ha and segid A) (resid 23 and name hb and segid A) 2.5 0.7 0.2    
!Lys 24
assign (resid 24 and name hn and segid A) (resid 16 and name ha and segid A) 4.3 2.5 1.0     
assign (resid 24 and name hn and segid A) (resid 23 and name ha and segid A) 2.9 1.1 0.6   
assign (resid 24 and name hn and segid A) (resid 24 and name ha and segid A) 3.8 2.0 1.5  
assign (resid 24 and name hn and segid A) (resid 16 and name hn and segid A) 3.0 1.2 0.5
assign (resid 24 and name hn and segid A) (resid 15 and name hn and segid A) 4.6 2.8 0.7 
assign (resid 24 and name hn and segid A) (resid 23 and name hb and segid A) 2.8 1.0 0.7
assign (resid 24 and name hn and segid A) (resid 24 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 24 and name hn and segid A) (resid 24 and name hg2 and segid A) 3.2 1.4 0.3 
assign (resid 24 and name hn and segid A) (resid 24 and name hg1 and segid A) 4.1 2.3 1.2 
assign (resid 24 and name hn and segid A) (resid 18 and name hb and segid A) 4.7 2.9 0.6 
assign (resid 24 and name hn and segid A) (resid 24 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 24 and name hn and segid A) (resid 18 and name hg11 and segid A) 3.4 1.6 0.1 
assign (resid 24 and name hn and segid A) (resid 23 and name hg2# and segid A) 4.2 2.4 1.1 
assign (resid 24 and name hn and segid A) (resid 23 and name hg1# and segid A) 4.5 2.7 0.8 
assign (resid 24 and name hn and segid A) (resid 25 and name ha and segid A) 5.5 3.7 1.0   
assign (resid 24 and name hn and segid A) (resid 19 and name hn and segid A) 6.0 4.2 0.5 
assign (resid 24 and name hn and segid A) (resid 18 and name hn and segid A) 5.0 3.2 1.5 
assign (resid 24 and name ha and segid A) (resid 24 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 24 and name ha and segid A) (resid 24 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 24 and name ha and segid A) (resid 24 and name hd# and segid A) 3.5 1.7 1.8 
assign (resid 24 and name ha and segid A) (resid 33 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 24 and name ha and segid A) (resid 24 and name hg2 and segid A) 2.8 1.0 0.7       
assign (resid 24 and name ha and segid A) (resid 33 and name ha and segid A) 2.3 0.5 0.4  
!Leu 25
assign (resid 25 and name hn and segid A) (resid 25 and name ha and segid A) 3.1 1.3 0.4  
assign (resid 25 and name hn and segid A) (resid 24 and name ha and segid A) 2.6 0.8 0.9 
assign (resid 25 and name hn and segid A) (resid 34 and name hd1 and segid A) 3.0 1.2 0.5 
assign (resid 25 and name hn and segid A) (resid 24 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 25 and name hn and segid A) (resid 25 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 25 and name hn and segid A) (resid 25 and name hb1 and segid A) 4.2 2.4 1.1 
assign (resid 25 and name hn and segid A) (resid 25 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 25 and name hn and segid A) (resid 25 and name hd2# and segid A) 4.6 2.8 0.7  
assign (resid 25 and name hn and segid A) (resid 33 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 25 and name hn and segid A) (resid 24 and name hg2 and segid A) 4.5 2.7 0.8 
assign (resid 25 and name hn and segid A) (resid 24 and name hb2 and segid A) 3.9 2.1 1.4
assign (resid 25 and name hn and segid A) (resid 25 and name hg and segid A) 3.0 1.2 0.5
assign (resid 25 and name ha and segid A) (resid 14 and name ha and segid A) 2.9 1.1 0.6 
assign (resid 25 and name ha and segid A) (resid 14 and name hb2 and segid A) 5.4 3.6 1.1  
assign (resid 25 and name ha and segid A) (resid 24 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 25 and name ha and segid A) (resid 25 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 25 and name ha and segid A) (resid 25 and name hg and segid A) 4.0 2.2 1.3
assign (resid 25 and name ha and segid A) (resid 25 and name hd2# and segid A) 4.3 2.5 1.0 
assign (resid 25 and name hd1# and segid A) (resid 12 and name hb# and segid A) 5.4 3.6 1.1 
assign (resid 25 and name hd1# and segid A) (resid 25 and name hg and segid A) 4.5 2.7 0.8   
assign (resid 25 and name hd1# and segid A) (resid 25 and name hb2 and segid A) 5.3 3.5 0.0   
assign (resid 25 and name hd1# and segid A) (resid 72 and name hg2# and segid A) 5.6 3.8 0.9 
!Met 26
assign (resid 26 and name hn and segid A) (resid 15 and name hn and segid A) 3.9 2.1 1.4  
assign (resid 26 and name hn and segid A) (resid 25 and name ha and segid A) 2.9 1.1 0.6 
assign (resid 26 and name hn and segid A) (resid 14 and name ha and segid A) 3.8 2.0 1.5  
assign (resid 26 and name hn and segid A) (resid 26 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 26 and name hn and segid A) (resid 12 and name hb# and segid A) 4.8 3.0 0.5 
assign (resid 26 and name hn and segid A) (resid 25 and name hd1# and segid A) 5.3 3.6 1.2 
assign (resid 26 and name hn and segid A) (resid 25 and name hd2# and segid A) 4.6 2.8 0.7 
assign (resid 26 and name hn and segid A) (resid 25 and name hg and segid A) 4.0 2.2 1.3  
assign (resid 26 and name hn and segid A) (resid 26 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 26 and name hn and segid A) (resid 25 and name hb2 and segid A) 3.5 1.7 1.8        
assign (resid 26 and name hn and segid A) (resid 25 and name hg and segid A) 4.8 3.0 0.5
assign (resid 26 and name hn and segid A) (resid 15 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 26 and name ha and segid A) (resid 26 and name hb2 and segid A) 2.6 0.8 0.9 
assign (resid 26 and name ha and segid A) (resid 26 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 26 and name ha and segid A) (resid 26 and name hg2 and segid A) 2.9 1.1 0.6 
!Tyr 27
assign (resid 27 and name hn and segid A) (resid 30 and name hn and segid A) 2.9 1.1 0.6 
assign (resid 27 and name hn and segid A) (resid 12 and name hb# and segid A) 6.0 4.2 0.5 
assign (resid 27 and name hn and segid A) (resid 29 and name hn and segid A) 3.9 2.1 1.4
assign (resid 27 and name hn and segid A) (resid 27 and name hd2 and segid A) 4.3 2.5 1.0 
assign (resid 27 and name hn and segid A) (resid 27 and name ha and segid A) 3.8 2.0 1.5 
assign (resid 27 and name hn and segid A) (resid 26 and name ha and segid A) 2.8 1.0 0.7 
assign (resid 27 and name hn and segid A) (resid 27 and name hb2 and segid A) 3.4 1.6 0.1 
assign (resid 27 and name hn and segid A) (resid 27 and name hb1 and segid A) 3.1 1.3 0.4 
assign (resid 27 and name hn and segid A) (resid 30 and name hb2 and segid A) 4.6 2.8 0.7 
assign (resid 27 and name hn and segid A) (resid 26 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 27 and name hn and segid A) (resid 26 and name hn and segid A) 4.6 2.8 0.7
assign (resid 27 and name hn and segid A) (resid 32 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 27 and name ha and segid A) (resid 27 and name hb1 and segid A) 3.4 1.6 0.1 
assign (resid 27 and name ha and segid A) (resid 27 and name hb2 and segid A) 2.5 0.7 0.2 
assign (resid 27 and name ha and segid A) (resid 12 and name hb# and segid A) 4.8 3.0 0.5
assign (resid 27 and name he1 and segid A) (resid 10 and name hb2 and segid A) 2.9 1.1 0.6
assign (resid 27 and name he1 and segid A) (resid 74 and name hg1# and segid A) 5.3 3.5 1.2 
assign (resid 27 and name he1 and segid A) (resid 74 and name hg2# and segid A) 4.2 2.4 1.1 
assign (resid 27 and name he1 and segid A) (resid 76 and name he1 and segid A) 3.5 1.7 1.8
assign (resid 27 and name he1 and segid A) (resid 76 and name hd1 and segid A) 6.0 4.2 0.5 
assign (resid 27 and name he1 and segid A) (resid 27 and name hd1 and segid A) 2.3 0.5 0.4 
assign (resid 27 and name he1 and segid A) (resid 28 and name he# and segid A) 4.5 2.7 0.8 
assign (resid 27 and name he1 and segid A) (resid 74 and name hn and segid A) 5.5 3.7 1.0 
assign (resid 27 and name he1 and segid A) (resid 10 and name hb1 and segid A) 4.7 2.9 0.6 
assign (resid 27 and name he# and segid A) (resid 27 and name ha and segid A) 4.5 2.7 0.8  
assign (resid 27 and name he2 and segid A) (resid 28 and name hg1 and segid A) 4.0 2.2 1.3 
assign (resid 27 and name hd1 and segid A) (resid 74 and name hg1# and segid A) 5.3 3.5 0.0 
assign (resid 27 and name hd1 and segid A) (resid 74 and name hg2# and segid A) 4.5 2.7 0.8 
assign (resid 27 and name hd# and segid A) (resid 27 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 27 and name hd# and segid A) (resid 27 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 27 and name hd1 and segid A) (resid 27 and name ha and segid A) 2.6 0.8 0.9 
assign (resid 27 and name hd2 and segid A) (resid 28 and name hg1 and segid A) 5.7 3.9 0.8 
assign (resid 27 and name hd1 and segid A) (resid 12 and name hb# and segid A) 4.5 2.7 0.8 
assign (resid 27 and name hd2 and segid A) (resid 34 and name hz and segid A) 3.5 1.7 1.8 
!Lys 28
assign (resid 28 and name hn and segid A) (resid 27 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 28 and name hn and segid A) (resid 27 and name hd1 and segid A) 3.5 1.7 1.8 
assign (resid 28 and name hn and segid A) (resid 29 and name hn and segid A) 3.1 1.3 0.4
assign (resid 28 and name hn and segid A) (resid 27 and name hn and segid A) 4.3 2.5 1.0 
assign (resid 28 and name hn and segid A) (resid 30 and name hn and segid A) 4.0 2.2 1.3 
assign (resid 28 and name hn and segid A) (resid 27 and name ha and segid A) 2.6 0.8 0.9  
assign (resid 28 and name hn and segid A) (resid 28 and name ha and segid A) 2.4 0.6 0.3  
assign (resid 28 and name hn and segid A) (resid 28 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 28 and name hn and segid A) (resid 28 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 28 and name hn and segid A) (resid 28 and name hg1 and segid A) 4.5 2.7 0.8  
assign (resid 28 and name hn and segid A) (resid 28 and name hd# and segid A) 3.9 2.1 1.4 
assign (resid 28 and name hn and segid A) (resid 27 and name hb1 and segid A) 4.6 2.8 0.7 
assign (resid 28 and name hn and segid A) (resid 27 and name he1 and segid A) 4.4 2.6 0.9
assign (resid 28 and name ha and segid A) (resid 28 and name hb1 and segid A) 2.3 0.5 0.4 
assign (resid 28 and name ha and segid A) (resid 28 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 28 and name ha and segid A) (resid 28 and name hd# and segid A) 4.5 2.7 0.8 
assign (resid 28 and name ha and segid A) (resid 28 and name hg1 and segid A) 3.1 1.3 0.4 
!Gly 29
assign (resid 29 and name hn and segid A) (resid 29 and name ha2 and segid A) 2.3 0.5 0.4 
assign (resid 29 and name hn and segid A) (resid 28 and name ha and segid A) 2.7 0.9 0.8              
assign (resid 29 and name hn and segid A) (resid 29 and name ha1 and segid A) 2.9 1.1 0.6 
assign (resid 29 and name hn and segid A) (resid 30 and name hb2 and segid A) 5.5 3.7 1.0
assign (resid 29 and name hn and segid A) (resid 27 and name ha and segid A) 3.5 1.7 1.8  
assign (resid 29 and name hn and segid A) (resid 30 and name hn and segid A) 2.6 0.8 0.9  
assign (resid 29 and name hn and segid A) (resid 28 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 29 and name hn and segid A) (resid 28 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 29 and name hn and segid A) (resid 28 and name hg1 and segid A) 5.4 3.6 1.1
!Gln 30
assign (resid 30 and name hn and segid A) (resid 26 and name ha and segid A) 4.0 2.2 1.3   
assign (resid 30 and name hn and segid A) (resid 30 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 30 and name hn and segid A) (resid 30 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 30 and name hn and segid A) (resid 30 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 30 and name hn and segid A) (resid 30 and name hg# and segid A) 4.5 2.7 0.8
assign (resid 30 and name hn and segid A) (resid 29 and name ha2 and segid A) 3.1 1.3 0.4 
assign (resid 30 and name hn and segid A) (resid 29 and name ha1 and segid A) 3.5 1.7 1.8 
assign (resid 30 and name hn and segid A) (resid 28 and name hb1 and segid A) 4.2 2.4 1.1 
assign (resid 30 and name hn and segid A) (resid 28 and name hb2 and segid A) 4.9 3.1 0.4 
assign (resid 30 and name hn and segid A) (resid 31 and name hd2 and segid A) 5.0 3.2 0.3 
assign (resid 30 and name hn and segid A) (resid 26 and name he# and segid A) 5.8 4.0 0.7 
assign (resid 30 and name ha and segid A) (resid 30 and name hb2 and segid A) 2.5 0.7 0.2 
assign (resid 30 and name ha and segid A) (resid 30 and name hb1 and segid A) 3.1 1.3 0.4 
!Pro 31
assign (resid 31 and name ha and segid A) (resid 31 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 31 and name ha and segid A) (resid 31 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 31 and name ha and segid A) (resid 15 and name hd1# and segid A) 3.2 1.4 0.3 
assign (resid 31 and name hd2 and segid A) (resid 30 and name ha and segid A) 3.0 1.2 0.5 
!Met 32
assign (resid 32 and name hn and segid A) (resid 27 and name hn and segid A) 4.6 2.8 0.7  
assign (resid 32 and name hn and segid A) (resid 25 and name hn and segid A) 3.4 1.6 0.1 
assign (resid 32 and name hn and segid A) (resid 34 and name he1 and segid A) 4.2 2.4 1.1 
assign (resid 32 and name hn and segid A) (resid 32 and name ha and segid A) 3.9 2.1 1.4 
assign (resid 32 and name hn and segid A) (resid 31 and name ha and segid A) 2.7 0.9 0.8 
assign (resid 32 and name hn and segid A) (resid 32 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 32 and name hn and segid A) (resid 32 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 32 and name hn and segid A) (resid 32 and name he# and segid A) 6.0 4.2 0.5   
assign (resid 32 and name hn and segid A) (resid 15 and name hd1# and segid A) 4.8 3.0 0.5     
assign (resid 32 and name ha and segid A) (resid 32 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 32 and name ha and segid A) (resid 32 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 32 and name ha and segid A) (resid 33 and name hg2# and segid A) 5.5 3.7 1.0 
!Thr 33
assign (resid 33 and name hn and segid A) (resid 32 and name ha and segid A) 4.0 2.2 1.3
assign (resid 33 and name hn and segid A) (resid 32 and name hg# and segid A) 4.4 2.6 0.9 
assign (resid 33 and name hn and segid A) (resid 32 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 33 and name hn and segid A) (resid 32 and name hb1 and segid A) 3.1 1.3 0.4 
assign (resid 33 and name hn and segid A) (resid 33 and name hb and segid A) 3.5 1.7 1.8 
assign (resid 33 and name hn and segid A) (resid 33 and name hg2# and segid A) 4.6 2.8 0.7     
assign (resid 33 and name hn and segid A) (resid 87 and name hb1 and segid A) 5.5 3.7 1.0  
assign (resid 33 and name hn and segid A) (resid 24 and name hg2 and segid A) 5.4 3.6 1.1           
assign (resid 33 and name ha and segid A) (resid 33 and name hg2# and segid A) 4.9 3.1 0.4    
assign (resid 33 and name ha and segid A) (resid 24 and name hg1 and segid A) 3.7 1.9 1.6          
assign (resid 33 and name hb and segid A) (resid 33 and name hg2# and segid A) 4.4 2.6 0.9 
!Phe 34
assign (resid 34 and name hn and segid A) (resid 34 and name ha and segid A) 4.0 2.2 1.3 
assign (resid 34 and name hn and segid A) (resid 33 and name ha and segid A) 2.5 0.7 0.2 
assign (resid 34 and name hn and segid A) (resid 24 and name ha and segid A) 3.5 1.7 1.8
assign (resid 34 and name hn and segid A) (resid 34 and name hd1 and segid A) 3.2 1.4 0.3 
assign (resid 34 and name hn and segid A) (resid 23 and name hn and segid A) 3.5 1.7 1.8
assign (resid 34 and name hn and segid A) (resid 25 and name hn and segid A) 4.0 2.2 1.3
assign (resid 34 and name hn and segid A) (resid 34 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 34 and name hn and segid A) (resid 34 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 34 and name hn and segid A) (resid 23 and name hg1# and segid A) 6.0 4.2 0.5 
assign (resid 34 and name hn and segid A) (resid 23 and name hg2# and segid A) 4.5 2.7 0.8 
assign (resid 34 and name hn and segid A) (resid 33 and name hg2# and segid A) 4.9 3.1 0.4  
assign (resid 34 and name hn and segid A) (resid 22 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 34 and name hn and segid A) (resid 24 and name hg2 and segid A) 4.5 2.7 0.8            
assign (resid 34 and name ha and segid A) (resid 34 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 34 and name ha and segid A) (resid 34 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 34 and name he2 and segid A) (resid 74 and name hg1# and segid A) 4.9 3.1 0.4 
assign (resid 34 and name he1 and segid A) (resid 25 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 34 and name he2 and segid A) (resid 90 and name hb# and segid A) 4.4 2.6 0.9  
assign (resid 34 and name he1 and segid A) (resid 25 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 34 and name he1 and segid A) (resid 32 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 34 and name he1 and segid A) (resid 32 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 34 and name hd# and segid A) (resid 34 and name ha and segid A) 3.2 1.4 0.3 
assign (resid 34 and name hd# and segid A) (resid 34 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 34 and name hd# and segid A) (resid 34 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 34 and name hd2 and segid A) (resid 92 and name hg11 and segid A) 5.5 3.7 1.0
assign (resid 34 and name hd2 and segid A) (resid 74 and name hg1# and segid A) 5.8 4.0 0.7 
assign (resid 34 and name hd2 and segid A) (resid 92 and name hd1# and segid A) 5.3 3.5 1.2 
assign (resid 34 and name hd1 and segid A) (resid 25 and name hd1# and segid A) 4.8 3.0 0.5 
assign (resid 34 and name hd2 and segid A) (resid 90 and name hb# and segid A) 4.2 2.4 1.1  
assign (resid 34 and name hd1 and segid A) (resid 25 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 34 and name hd1 and segid A) (resid 25 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 34 and name hd2 and segid A) (resid 76 and name he2 and segid A) 3.6 1.8 1.7 
assign (resid 34 and name hz and segid A) (resid 74 and name hg1# and segid A) 5.5 3.7 1.0 
assign (resid 34 and name hz and segid A) (resid 74 and name hg2# and segid A) 5.2 3.4 0.3 
assign (resid 34 and name hz and segid A) (resid 27 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 34 and name hz and segid A) (resid 76 and name he2 and segid A) 4.0 2.2 1.3 
assign (resid 34 and name hz and segid A) (resid 76 and name hz and segid A) 3.0 1.2 0.5
assign (resid 34 and name hz and segid A) (resid 27 and name hd2 and segid A) 3.5 1.7 1.8
assign (resid 34 and name he1 and segid A) (resid 27 and name hb1 and segid A) 3.4 1.6 1.9           
assign (resid 34 and name he1 and segid A) (resid 27 and name hb2 and segid A) 2.8 1.0 0.7      
!Arg 35
assign (resid 35 and name hn and segid A) (resid 34 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 35 and name hn and segid A) (resid 34 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 35 and name hn and segid A) (resid 34 and name ha and segid A) 2.6 0.8 0.1
assign (resid 35 and name hn and segid A) (resid 34 and name hd2 and segid A) 4.0 2.2 1.3 
assign (resid 35 and name hn and segid A) (resid 89 and name hn and segid A) 4.7 2.9 0.6 
assign (resid 35 and name hn and segid A) (resid 88 and name hn and segid A) 4.1 2.3 1.2 
assign (resid 35 and name hn and segid A) (resid 35 and name hb# and segid A) 3.5 1.7 1.8 
assign (resid 35 and name hn and segid A) (resid 89 and name hd2# and segid A) 4.9 3.1 0.4
assign (resid 35 and name hn and segid A) (resid 89 and name hd2# and segid A) 4.8 3.0 0.5
assign (resid 35 and name ha and segid A) (resid 35 and name hd1 and segid A) 4.9 3.1 0.4 
!Leu 36
assign (resid 36 and name hn and segid A) (resid 35 and name ha and segid A) 3.1 1.3 0.4  
assign (resid 36 and name hn and segid A) (resid 36 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 36 and name hn and segid A) (resid 36 and name hg and segid A) 2.6 0.8 0.1 
assign (resid 36 and name hn and segid A) (resid 35 and name hb# and segid A) 4.2 2.4 1.1 
assign (resid 36 and name hn and segid A) (resid 36 and name hd2# and segid A) 4.6 2.8 0.7         
assign (resid 36 and name ha and segid A) (resid 36 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 36 and name ha and segid A) (resid 36 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 36 and name ha and segid A) (resid 36 and name hg and segid A) 3.0 1.2 0.5       
assign (resid 36 and name ha and segid A) (resid 36 and name hd2# and segid A) 3.5 1.7 1.8      
!Leu 37
assign (resid 37 and name hn and segid A) (resid 36 and name ha and segid A) 3.2 1.4 0.3
assign (resid 37 and name hn and segid A) (resid 37 and name ha and segid A) 3.4 1.6 0.1 
assign (resid 37 and name hn and segid A) (resid 37 and name hg and segid A) 3.0 1.2 0.5 
assign (resid 37 and name hn and segid A) (resid 37 and name hd2# and segid A) 5.1 3.3 0.2 
assign (resid 37 and name hn and segid A) (resid 37 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 37 and name hn and segid A) (resid 37 and name hd1# and segid A) 4.7 2.9 0.6 
assign (resid 37 and name hn and segid A) (resid 37 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 37 and name hn and segid A) (resid 36 and name hd2# and segid A) 4.5 2.7 0.8 
assign (resid 37 and name hn and segid A) (resid 36 and name hd1# and segid A) 6.0 4.2 0.5 
assign (resid 37 and name hn and segid A) (resid 36 and name hb2 and segid A) 4.2 2.4 1.1 
assign (resid 37 and name hn and segid A) (resid 36 and name hb1 and segid A) 3.8 2.0 1.5    
assign (resid 37 and name hn and segid A) (resid 38 and name hn and segid A) 5.1 3.3 0.2   
assign (resid 37 and name hn and segid A) (resid 100 and name hd22 and segid A) 3.9 2.1 1.4 
assign (resid 37 and name ha and segid A) (resid 37 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 37 and name ha and segid A) (resid 37 and name hb1 and segid A) 2.6 0.8 0.1 
assign (resid 37 and name ha and segid A) (resid 37 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 37 and name ha and segid A) (resid 89 and name hd2# and segid A) 5.8 4.0 0.7 
assign (resid 37 and name hd1# and segid A) (resid 37 and name hg and segid A) 4.6 2.8 0.7
assign (resid 37 and name hd1# and segid A) (resid 37 and name hb1 and segid A) 3.7 1.9 1.6 
!Leu 38
assign (resid 38 and name hn and segid A) (resid 39 and name hn and segid A) 3.6 1.8 1.7   
assign (resid 38 and name hn and segid A) (resid 38 and name ha and segid A) 3.1 1.3 0.4  
assign (resid 38 and name hn and segid A) (resid 37 and name ha and segid A) 3.1 1.3 0.4 
assign (resid 38 and name hn and segid A) (resid 38 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 38 and name hn and segid A) (resid 38 and name hg and segid A) 3.9 2.1 1.4 
assign (resid 38 and name hn and segid A) (resid 37 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 38 and name hn and segid A) (resid 38 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 38 and name hn and segid A) (resid 38 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 38 and name hn and segid A) (resid 37 and name hd1# and segid A) 6.0 4.2 0.5    
assign (resid 38 and name hn and segid A) (resid 37 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 38 and name hn and segid A) (resid 37 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 38 and name hn and segid A) (resid 38 and name hb1 and segid A) 5.7 3.9 0.8 
assign (resid 38 and name ha and segid A) (resid 38 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 38 and name ha and segid A) (resid 38 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 38 and name ha and segid A) (resid 125 and name hd1# and segid A) 6.0 4.2 0.5 
!Val 39
assign (resid 39 and name hn and segid A) (resid 39 and name hg2# and segid A) 3.7 1.9 1.6 
assign (resid 39 and name hn and segid A) (resid 39 and name hg1# and segid A) 4.0 2.2 1.3 
assign (resid 39 and name hn and segid A) (resid 39 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 39 and name hn and segid A) (resid 38 and name ha and segid A) 3.9 2.1 1.4 
assign (resid 39 and name hn and segid A) (resid 37 and name ha and segid A) 4.2 2.4 1.1 
assign (resid 39 and name hn and segid A) (resid 38 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 39 and name hn and segid A) (resid 39 and name hb and segid A) 3.8 2.0 1.5  
assign (resid 39 and name hn and segid A) (resid 40 and name hn and segid A) 4.1 2.3 1.2  
assign (resid 39 and name hn and segid A) (resid 100 and name hd21 and segid A) 5.9 4.1 0.6         
assign (resid 39 and name hn and segid A) (resid 38 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 39 and name hn and segid A) (resid 36 and name hb1 and segid A) 4.6 2.8 0.7 
assign (resid 39 and name ha and segid A) (resid 111 and name ha and segid A) 2.5 0.7 0.2  
assign (resid 39 and name ha and segid A) (resid 39 and name hb and segid A) 2.4 0.6 0.3  
assign (resid 39 and name ha and segid A) (resid 39 and name hg2# and segid A) 5.0 3.2 0.3 
assign (resid 39 and name ha and segid A) (resid 111 and name hg* and segid A) 5.9 4.1 0.6 
assign (resid 39 and name ha and segid A) (resid 112 and name hb# and segid A) 5.0 3.2 0.3
assign (resid 39 and name ha and segid A) (resid 39 and name hg1# and segid A) 4.4 2.6 0.9 
!Asp 40
assign (resid 40 and name hn and segid A) (resid 39 and name ha and segid A) 2.6 0.8 0.1   
assign (resid 40 and name hn and segid A) (resid 110 and name hn and segid A) 2.9 1.1 0.6 
assign (resid 40 and name hn and segid A) (resid 111 and name ha and segid A) 4.4 2.6 0.9 
assign (resid 40 and name hn and segid A) (resid 40 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 40 and name hn and segid A) (resid 40 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 40 and name hn and segid A) (resid 39 and name hg1# and segid A) 4.5 2.7 0.8 
assign (resid 40 and name hn and segid A) (resid 39 and name hg2# and segid A) 4.0 2.2 1.3
assign (resid 40 and name hn and segid A) (resid 40 and name ha and segid A) 3.7 1.9 1.6  
assign (resid 40 and name hn and segid A) (resid 39 and name hb and segid A) 2.9 1.1 0.6 
assign (resid 40 and name hn and segid A) (resid 109 and name hb# and segid A) 4.5 2.7 0.8 
assign (resid 40 and name ha and segid A) (resid 40 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 40 and name ha and segid A) (resid 40 and name hb1 and segid A) 2.9 1.1 0.6 
!Thr 41
assign (resid 41 and name hn and segid A) (resid 40 and name ha and segid A) 3.0 1.2 0.5   
assign (resid 41 and name hn and segid A) (resid 41 and name ha and segid A) 4.0 2.2 1.3   
assign (resid 41 and name hn and segid A) (resid 41 and name hg2# and segid A) 5.2 4.4 0.1
assign (resid 41 and name hn and segid A) (resid 35 and name hd2 and segid A) 6.0 4.2 0.5 
assign (resid 41 and name ha and segid A) (resid 41 and name hg2# and segid A) 4.5 2.7 0.8
assign (resid 41 and name ha and segid A) (resid 109 and name ha and segid A) 2.8 1.0 0.7 
assign (resid 41 and name ha and segid A) (resid 41 and name hb and segid A) 2.5 0.7 0.2
assign (resid 41 and name ha and segid A) (resid 109 and name hb# and segid A) 4.5 2.7 0.8   
assign (resid 41 and name ha and segid A) (resid 103 and name hb1 and segid A) 5.4 3.6 1.1 
assign (resid 41 and name ha and segid A) (resid 139 and name hd1# and segid A) 5.5 3.7 1.0
assign (resid 41 and name ha and segid A) (resid 42 and name hb1 and segid A) 5.4 3.6 1.1 
assign (resid 41 and name ha and segid A) (resid 39 and name hg2# and segid A) 6.0 4.2 0.5  
assign (resid 41 and name hb and segid A) (resid 41 and name hg2# and segid A) 4.7 2.9 0.6 
assign (resid 41 and name hb and segid A) (resid 58 and name hb# and segid A) 5.0 3.2 0.3        
assign (resid 41 and name hb and segid A) (resid 103 and name hd2# and segid A) 5.6 3.8 0.9        
!Pro 42
assign (resid 42 and name hd1 and segid A) (resid 41 and name ha and segid A) 3.5 1.7 0.0 
assign (resid 42 and name hd2 and segid A) (resid 41 and name ha and segid A) 3.0 1.2 0.5 
!Glu 43
!Thr 44
assign (resid 44 and name hn and segid A) (resid 45 and name hn and segid A) 3.6 1.8 1.7     
assign (resid 44 and name hn and segid A) (resid 43 and name hb# and segid A) 3.9 2.1 1.4    
assign (resid 44 and name hn and segid A) (resid 43 and name hg# and segid A) 3.6 1.8 1.7   
assign (resid 44 and name hn and segid A) (resid 44 and name hg2# and segid A) 4.5 2.7 0.8 
assign (resid 44 and name hn and segid A) (resid 45 and name hg# and segid A) 5.8 4.0 0.7     
assign (resid 44 and name hn and segid A) (resid 45 and name hd# and segid A) 5.9 4.1 0.6    
assign (resid 44 and name hn and segid A) (resid 45 and name ha and segid A) 5.3 3.5 1.2    
assign (resid 44 and name ha and segid A) (resid 44 and name hg2# and segid A) 4.4 2.6 0.9   
assign (resid 44 and name hb and segid A) (resid 44 and name hg2# and segid A) 4.6 2.8 0.7  
!Lys 45
assign (resid 45 and name hn and segid A) (resid 44 and name hb and segid A) 4.5 2.7 0.8              
assign (resid 45 and name hn and segid A) (resid 45 and name ha and segid A) 3.7 1.9 1.6             
assign (resid 45 and name hn and segid A) (resid 44 and name ha and segid A) 3.1 1.3 0.4 
assign (resid 45 and name hn and segid A) (resid 43 and name hg# and segid A) 4.4 2.6 0.9   
assign (resid 45 and name hn and segid A) (resid 44 and name hg2# and segid A) 5.4 3.6 1.1 
assign (resid 45 and name hn and segid A) (resid 45 and name hg# and segid A) 4.5 2.7 0.8
assign (resid 45 and name hn and segid A) (resid 45 and name hb# and segid A) 3.5 1.7 1.8 
assign (resid 45 and name hn and segid A) (resid 51 and name hg2# and segid A) 5.3 3.5 1.2            
!His 46
assign (resid 46 and name hn and segid A) (resid 46 and name hb1 and segid A) 3.4 1.6 0.1 
assign (resid 46 and name hn and segid A) (resid 46 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 46 and name hn and segid A) (resid 45 and name ha and segid A) 3.5 1.7 1.8 
assign (resid 46 and name hn and segid A) (resid 46 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 46 and name hn and segid A) (resid 45 and name hg# and segid A) 4.6 2.8 0.7  
assign (resid 46 and name hn and segid A) (resid 45 and name hd# and segid A) 5.8 4.0 0.7 
assign (resid 46 and name hn and segid A) (resid 45 and name hn and segid A) 3.0 1.2 0.5   
assign (resid 46 and name hn and segid A) (resid 47 and name hd1 and segid A) 5.0 3.2 0.3
assign (resid 46 and name ha and segid A) (resid 46 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 46 and name ha and segid A) (resid 46 and name hb2 and segid A) 2.6 0.8 0.9 
assign (resid 46 and name ha and segid A) (resid 47 and name hd1 and segid A) 3.0 1.2 0.5
assign (resid 46 and name hd2 and segid A) (resid 46 and name ha and segid A) 3.4 1.6 0.1  
assign (resid 46 and name hd2 and segid A) (resid 46 and name hb1 and segid A) 3.3 1.5 0.2 
assign (resid 46 and name hd2 and segid A) (resid 46 and name hb2 and segid A) 3.8 2.0 1.5 
!Pro 47
!Lys 48
assign (resid 48 and name hn and segid A) (resid 49 and name hn and segid A) 3.0 1.2 0.5
assign (resid 48 and name hn and segid A) (resid 48 and name ha and segid A) 3.7 1.9 1.6
!Lys 49
assign (resid 49 and name hn and segid A) (resid 49 and name ha and segid A) 3.0 1.2 0.5
assign (resid 49 and name hn and segid A) (resid 48 and name ha and segid A) 4.0 2.2 1.3
assign (resid 49 and name hn and segid A) (resid 50 and name hn and segid A) 5.5 3.7 1.0
assign (resid 49 and name hn and segid A) (resid 48 and name hg2 and segid A) 5.0 3.2 0.3 
!Gly 50
assign (resid 50 and name hn and segid A) (resid 51 and name hn and segid A) 4.0 2.2 1.3     
assign (resid 50 and name hn and segid A) (resid 50 and name ha1 and segid A) 3.0 1.2 0.5 
assign (resid 50 and name hn and segid A) (resid 50 and name ha2 and segid A) 2.8 1.0 0.7 
assign (resid 50 and name hn and segid A) (resid 46 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 50 and name hn and segid A) (resid 48 and name hb2 and segid A) 5.6 3.8 0.9
assign (resid 50 and name hn and segid A) (resid 49 and name ha and segid A) 5.0 3.2 0.3   
!Val 51
assign (resid 51 and name hn and segid A) (resid 51 and name hg* and segid A) 3.9 2.1 1.4
assign (resid 51 and name hn and segid A) (resid 50 and name ha1 and segid A) 2.4 0.6 0.3 
assign (resid 51 and name hn and segid A) (resid 50 and name ha2 and segid A) 3.1 1.3 0.4 
assign (resid 51 and name hn and segid A) (resid 51 and name hb and segid A) 2.7 0.9 0.8   
assign (resid 51 and name ha and segid A) (resid 51 and name hg* and segid A) 4.3 2.5 1.0 
assign (resid 51 and name ha and segid A) (resid 51 and name hb and segid A) 3.0 1.2 0.5  
!Glu 52
assign (resid 52 and name hn and segid A) (resid 51 and name hb and segid A) 3.5 1.7 1.8  
assign (resid 52 and name hn and segid A) (resid 52 and name hg1 and segid A) 3.3 1.5 0.2 
assign (resid 52 and name hn and segid A) (resid 52 and name hg2 and segid A) 3.7 1.9 1.6 
assign (resid 52 and name hn and segid A) (resid 51 and name ha and segid A) 2.9 1.1 0.6 
!Lys 53
!Tyr 54
assign (resid 54 and name he2 and segid A) (resid 53 and name hg1 and segid A) 3.6 1.8 1.7 
assign (resid 54 and name he1 and segid A) (resid 108 and name hd2# and segid A) 5.9 4.1 0.6 
assign (resid 54 and name he1 and segid A) (resid 138 and name hb2 and segid A) 4.4 2.6 0.9 
assign (resid 54 and name he1 and segid A) (resid 138 and name ha and segid A) 2.9 1.1 0.6
assign (resid 54 and name he1 and segid A) (resid 138 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 54 and name he# and segid A) (resid 54 and name ha and segid A) 5.9 4.1 0.6 
assign (resid 54 and name he1 and segid A) (resid 54 and name hd1 and segid A) 2.2 0.4 0.5 
assign (resid 54 and name hd2 and segid A) (resid 139 and name hd1# and segid A) 5.8 4.0 0.7 
assign (resid 54 and name hd2 and segid A) (resid 139 and name hg2# and segid A) 6.0 4.2 0.5
assign (resid 54 and name hd1 and segid A) (resid 108 and name hd2# and segid A) 5.2 3.4 0.1 
assign (resid 54 and name hd1 and segid A) (resid 138 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 54 and name hd1 and segid A) (resid 138 and name ha and segid A) 4.1 2.3 1.2  
assign (resid 54 and name hd1 and segid A) (resid 54 and name ha and segid A) 2.8 1.0 0.7    
assign (resid 54 and name hd# and segid A) (resid 54 and name hb2 and segid A) 3.5 1.7 1.8  
assign (resid 54 and name hd# and segid A) (resid 54 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 54 and name hd2 and segid A) (resid 139 and name hb and segid A) 5.3 3.5 1.2  
assign (resid 54 and name hd2 and segid A) (resid 139 and name hg1# and segid A) 5.1 3.3 0.2  
assign (resid 54 and name hd2 and segid A) (resid 53 and name hg2 and segid A) 5.0 3.2 0.3  
assign (resid 54 and name hd2 and segid A) (resid 42 and name hb1 and segid A) 5.4 3.6 1.1  
assign (resid 54 and name hd2 and segid A) (resid 42 and name hb2 and segid A) 5.3 3.5 1.2   
!Gly 55
assign (resid 55 and name hn and segid A) (resid 55 and name ha1 and segid A) 3.2 1.4 0.3 
assign (resid 55 and name hn and segid A) (resid 55 and name ha2 and segid A) 3.3 1.5 0.2 
assign (resid 55 and name hn and segid A) (resid 54 and name ha and segid A) 3.0 1.2 0.5 
assign (resid 55 and name hn and segid A) (resid 54 and name hn and segid A) 3.1 1.3 0.4   
assign (resid 55 and name hn and segid A) (resid 52 and name hn and segid A) 5.1 3.3 0.2 
assign (resid 55 and name hn and segid A) (resid 51 and name hg1# and segid A) 5.5 3.7 1.0 
assign (resid 55 and name hn and segid A) (resid 53 and name hb2 and segid A) 5.7 3.9 0.8 
assign (resid 55 and name hn and segid A) (resid 56 and name hg# and segid A) 5.5 3.7 1.0
!Pro 56
assign (resid 56 and name hd# and segid A) (resid 55 and name ha# and segid A) 4.5 2.7 0.8 
!Glu 57
!Ala 58
assign (resid 58 and name hn and segid A) (resid 59 and name hn and segid A) 2.7 0.9 0.8     
assign (resid 58 and name hn and segid A) (resid 60 and name hn and segid A) 4.1 2.3 1.2  
assign (resid 58 and name hn and segid A) (resid 61 and name hn and segid A) 4.5 2.7 0.8  
assign (resid 58 and name hn and segid A) (resid 108 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 58 and name hn and segid A) (resid 58 and name hb# and segid A) 3.8 2.0 1.5
assign (resid 58 and name hn and segid A) (resid 58 and name ha and segid A) 3.5 1.7 0.0  
assign (resid 58 and name hn and segid A) (resid 108 and name hd2# and segid A) 4.7 2.9 0.6 
assign (resid 58 and name ha and segid A) (resid 61 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 58 and name ha and segid A) (resid 61 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 58 and name ha and segid A) (resid 58 and name hb# and segid A) 4.7 2.9 0.6   
assign (resid 58 and name ha and segid A) (resid 108 and name hd1# and segid A) 5.2 3.4 0.1
!Ser 59
assign (resid 59 and name hn and segid A) (resid 59 and name ha and segid A) 3.2 1.4 0.3     
assign (resid 59 and name hn and segid A) (resid 59 and name hb1 and segid A) 3.5 1.7 1.8    
assign (resid 59 and name hn and segid A) (resid 58 and name hb# and segid A) 4.7 2.9 0.6   
assign (resid 59 and name hn and segid A) (resid 60 and name hn and segid A) 2.7 0.9 0.8 
assign (resid 59 and name hn and segid A) (resid 60 and name hb# and segid A) 5.9 4.1 0.6
assign (resid 59 and name hn and segid A) (resid 61 and name hn and segid A) 4.5 2.7 0.8            
assign (resid 59 and name hn and segid A) (resid 44 and name hg2# and segid A) 5.3 3.5 1.2            
!Ala 60
assign (resid 60 and name hn and segid A) (resid 60 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 60 and name hn and segid A) (resid 60 and name hb# and segid A) 3.5 1.7 0.0
assign (resid 60 and name hn and segid A) (resid 61 and name hb2 and segid A) 4.3 2.5 1.0 
assign (resid 60 and name hn and segid A) (resid 59 and name ha and segid A) 3.8 2.0 1.5
assign (resid 60 and name hn and segid A) (resid 59 and name hb1 and segid A) 4.5 2.7 0.8  
assign (resid 60 and name hn and segid A) (resid 61 and name hn and segid A) 2.3 0.5 0.4 
assign (resid 60 and name hn and segid A) (resid 62 and name hn and segid A) 4.5 2.7 0.8             
assign (resid 60 and name ha and segid A) (resid 63 and name hb2 and segid A) 3.0 1.2 0.5 
!Phe 61
assign (resid 61 and name hn and segid A) (resid 61 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 61 and name hn and segid A) (resid 61 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 61 and name hn and segid A) (resid 61 and name ha and segid A) 2.8 1.0 0.7             
assign (resid 61 and name hn and segid A) (resid 60 and name ha and segid A) 3.2 1.4 0.3              
assign (resid 61 and name hn and segid A) (resid 60 and name hb# and segid A) 3.7 1.9 1.6
assign (resid 61 and name hn and segid A) (resid 108 and name hd1# and segid A) 5.2 3.4 0.1 
assign (resid 61 and name hn and segid A) (resid 103 and name hd2# and segid A) 5.9 4.1 0.6 
assign (resid 61 and name hn and segid A) (resid 60 and name hn and segid A) 3.4 1.6 0.1  
assign (resid 61 and name ha and segid A) (resid 61 and name hb2 and segid A) 2.4 0.6 0.3 
assign (resid 61 and name ha and segid A) (resid 61 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 61 and name hd# and segid A) (resid 61 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 61 and name hd# and segid A) (resid 61 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 61 and name hd# and segid A) (resid 61 and name ha and segid A) 3.4 1.6 0.1  
assign (resid 61 and name hd# and segid A) (resid 61 and name hn and segid A) 4.4 2.6 0.9  
assign (resid 61 and name hd1 and segid A) (resid 108 and name hd1# and segid A) 4.3 2.5 1.0
assign (resid 61 and name hd1 and segid A) (resid 108 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 61 and name hd2 and segid A) (resid 103 and name hd2# and segid A) 4.3 2.5 1.0 
assign (resid 61 and name hd2 and segid A) (resid 103 and name hg and segid A) 2.9 1.1 0.6 
assign (resid 61 and name hd2 and segid A) (resid 102 and name hb# and segid A) 6.0 4.2 0.5 
assign (resid 61 and name hd2 and segid A) (resid 62 and name ha and segid A) 3.0 1.2 0.5
assign (resid 61 and name hd2 and segid A) (resid 103 and name hd1# and segid A) 5.8 4.0 0.7
assign (resid 61 and name hd2 and segid A) (resid 103 and name hb1 and segid A) 5.3 3.5 1.2  
assign (resid 61 and name hd1 and segid A) (resid 61 and name he1 and segid A) 2.1 0.3 0.6   
assign (resid 61 and name he1 and segid A) (resid 108 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 61 and name he2 and segid A) (resid 103 and name hd2# and segid A) 5.2 3.4 0.1 
assign (resid 61 and name he2 and segid A) (resid 103 and name hb1 and segid A) 5.5 3.7 1.0 
assign (resid 61 and name he# and segid A) (resid 61 and name hb1 and segid A) 4.7 2.9 0.6 
assign (resid 61 and name he# and segid A) (resid 61 and name hb2 and segid A) 4.6 2.8 0.7 
assign (resid 61 and name he2 and segid A) (resid 62 and name ha and segid A) 3.8 2.0 1.5 
assign (resid 61 and name he2 and segid A) (resid 102 and name ha and segid A) 5.1 3.3 0.2  
assign (resid 61 and name he2 and segid A) (resid 102 and name hb# and segid A) 3.9 2.1 1.4 
assign (resid 61 and name he2 and segid A) (resid 103 and name hd1# and segid A) 5.3 3.5 1.2      
assign (resid 61 and name he2 and segid A) (resid 103 and name hg and segid A) 3.1 1.3 0.4            
assign (resid 61 and name he# and segid A) (resid 61 and name ha and segid A) 5.9 4.1 0.6             
!Thr 62
assign (resid 62 and name hn and segid A) (resid 62 and name ha and segid A) 2.7 0.9 0.8     
assign (resid 62 and name hn and segid A) (resid 61 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 62 and name hn and segid A) (resid 61 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 62 and name hn and segid A) (resid 61 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 62 and name hn and segid A) (resid 62 and name hb and segid A) 2.7 0.9 0.8   
assign (resid 62 and name hn and segid A) (resid 61 and name hd2 and segid A) 2.9 1.1 0.6
assign (resid 62 and name hn and segid A) (resid 63 and name hn and segid A) 2.6 0.8 0.9   
assign (resid 62 and name hn and segid A) (resid 64 and name hn and segid A) 4.0 2.2 1.3  
assign (resid 62 and name hn and segid A) (resid 61 and name hn and segid A) 2.8 1.0 0.7   
assign (resid 62 and name hn and segid A) (resid 63 and name hb2 and segid A) 5.0 3.2 0.3 
assign (resid 62 and name hn and segid A) (resid 60 and name hb# and segid A) 5.4 3.6 1.1  
assign (resid 62 and name hn and segid A) (resid 62 and name hg2# and segid A) 4.2 2.4 1.1  
assign (resid 62 and name hn and segid A) (resid 103 and name hd2# and segid A) 4.6 2.8 0.7
assign (resid 62 and name hn and segid A) (resid 103 and name hd1# and segid A) 5.4 3.6 1.1
assign (resid 62 and name hn and segid A) (resid 108 and name hd1# and segid A) 5.3 3.5 1.2
assign (resid 62 and name ha and segid A) (resid 62 and name hg2# and segid A) 4.0 2.2 1.3   
assign (resid 62 and name ha and segid A) (resid 65 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 62 and name ha and segid A) (resid 61 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 62 and name hb and segid A) (resid 62 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 62 and name hb and segid A) (resid 62 and name hg2# and segid A) 4.1 2.3 1.2 
!Lys 63
assign (resid 63 and name hn and segid A) (resid 63 and name ha and segid A) 2.7 0.9 0.8            
assign (resid 63 and name hn and segid A) (resid 62 and name ha and segid A) 2.7 0.9 0.8                
assign (resid 63 and name hn and segid A) (resid 61 and name ha and segid A) 3.8 2.0 1.5 
assign (resid 63 and name hn and segid A) (resid 65 and name hn and segid A) 3.7 1.9 1.6  
assign (resid 63 and name hn and segid A) (resid 63 and name hb2 and segid A) 2.5 0.7 0.2 
assign (resid 63 and name hn and segid A) (resid 63 and name hd2 and segid A) 3.6 1.8 1.7 
assign (resid 63 and name hn and segid A) (resid 63 and name hd1 and segid A) 4.5 2.7 0.8 
assign (resid 63 and name hn and segid A) (resid 62 and name hg2# and segid A) 4.2 2.4 1.1
assign (resid 63 and name hn and segid A) (resid 63 and name hg1 and segid A) 3.7 1.9 1.6 
assign (resid 63 and name hn and segid A) (resid 63 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 63 and name hn and segid A) (resid 63 and name hg2 and segid A) 3.9 2.1 1.4 
assign (resid 63 and name hn and segid A) (resid 60 and name ha and segid A) 3.1 1.3 0.4 
assign (resid 63 and name hn and segid A) (resid 62 and name hb and segid A) 5.0 3.2 0.3 
assign (resid 63 and name ha and segid A) (resid 63 and name hb2 and segid A) 2.3 0.5 0.4 
assign (resid 63 and name ha and segid A) (resid 63 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 63 and name ha and segid A) (resid 67 and name hg2 and segid A) 4.5 2.7 0.8
assign (resid 63 and name ha and segid A) (resid 63 and name hg2 and segid A) 3.0 1.2 0.5 
assign (resid 63 and name ha and segid A) (resid 66 and name hb and segid A) 5.4 3.6 1.1 
assign (resid 63 and name ha and segid A) (resid 63 and name hd# and segid A) 4.5 2.7 0.8 
!Lys 64
assign (resid 64 and name hn and segid A) (resid 63 and name ha and segid A) 3.1 1.3 0.4    
assign (resid 64 and name hn and segid A) (resid 64 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 64 and name hn and segid A) (resid 61 and name ha and segid A) 3.6 1.8 1.7                    
assign (resid 64 and name hn and segid A) (resid 63 and name hg1 and segid A) 3.5 1.7 1.8 
assign (resid 64 and name hn and segid A) (resid 63 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 64 and name hn and segid A) (resid 64 and name hg2 and segid A) 4.5 2.7 0.8 
assign (resid 64 and name hn and segid A) (resid 64 and name hd1 and segid A) 2.9 1.1 0.6   
assign (resid 64 and name hn and segid A) (resid 64 and name hb2 and segid A) 2.1 0.3 0.6              
assign (resid 64 and name hn and segid A) (resid 63 and name hn and segid A) 2.9 1.1 0.6 
assign (resid 64 and name hn and segid A) (resid 63 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 64 and name hn and segid A) (resid 63 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 64 and name ha and segid A) (resid 64 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 64 and name ha and segid A) (resid 64 and name hb2 and segid A) 2.7 0.9 0.8    
!Met 65
assign (resid 65 and name hn and segid A) (resid 62 and name ha and segid A) 3.7 1.9 1.6  
assign (resid 65 and name hn and segid A) (resid 65 and name ha and segid A) 2.8 1.0 0.7                  
assign (resid 65 and name hn and segid A) (resid 64 and name ha and segid A) 3.5 1.7 1.8                    
assign (resid 65 and name hn and segid A) (resid 65 and name hg# and segid A) 3.5 1.7 1.8 
assign (resid 65 and name hn and segid A) (resid 66 and name hg2# and segid A) 5.7 3.9 0.8             
assign (resid 65 and name hn and segid A) (resid 66 and name hg1# and segid A) 5.9 4.1 0.6
assign (resid 65 and name hn and segid A) (resid 62 and name hg2# and segid A) 5.9 4.1 0.6 
assign (resid 65 and name hn and segid A) (resid 64 and name hg2 and segid A) 3.7 1.9 1.6 
assign (resid 65 and name hn and segid A) (resid 63 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 65 and name hn and segid A) (resid 63 and name hb2 and segid A) 5.4 3.6 1.1 
assign (resid 65 and name hn and segid A) (resid 64 and name hb2 and segid A) 2.7 0.9 0.8     
assign (resid 65 and name hn and segid A) (resid 65 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 65 and name hn and segid A) (resid 61 and name ha and segid A) 3.7 1.9 1.6    
assign (resid 65 and name hn and segid A) (resid 64 and name hn and segid A) 2.6 0.8 0.9   
assign (resid 65 and name hn and segid A) (resid 66 and name hn and segid A) 2.8 1.0 0.7  
assign (resid 65 and name ha and segid A) (resid 65 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 65 and name ha and segid A) (resid 65 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 65 and name ha and segid A) (resid 66 and name hg1# and segid A) 5.9 4.1 0.6 
!Val 66
assign (resid 66 and name hn and segid A) (resid 66 and name hg2# and segid A) 3.7 1.9 1.6 
assign (resid 66 and name hn and segid A) (resid 66 and name hg1# and segid A) 3.8 2.0 1.5 
assign (resid 66 and name hn and segid A) (resid 65 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 66 and name hn and segid A) (resid 65 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 66 and name hn and segid A) (resid 65 and name hg# and segid A) 5.0 3.2 0.3 
assign (resid 66 and name hn and segid A) (resid 17 and name hb# and segid A) 6.0 4.2 0.5 
assign (resid 66 and name hn and segid A) (resid 66 and name hb and segid A) 3.6 1.8 1.7 
assign (resid 66 and name hn and segid A) (resid 64 and name hn and segid A) 3.6 1.8 1.7  
assign (resid 66 and name hn and segid A) (resid 65 and name ha and segid A) 3.0 1.2 0.5 
assign (resid 66 and name hn and segid A) (resid 63 and name ha and segid A) 3.6 1.8 1.7
assign (resid 66 and name hn and segid A) (resid 62 and name ha and segid A) 3.4 1.6 0.1 
assign (resid 66 and name hn and segid A) (resid 62 and name hg2# and segid A) 5.2 3.4 0.1
assign (resid 66 and name hn and segid A) (resid 66 and name ha and segid A) 2.9 1.1 0.6
assign (resid 66 and name hn and segid A) (resid 67 and name hn and segid A) 2.6 0.8 0.9
assign (resid 66 and name ha and segid A) (resid 66 and name hg1# and segid A) 3.9 2.1 1.4 
assign (resid 66 and name ha and segid A) (resid 66 and name hg2# and segid A) 4.0 2.2 1.3 
assign (resid 66 and name ha and segid A) (resid 66 and name hb and segid A) 2.2 0.4 0.5  
assign (resid 66 and name ha and segid A) (resid 69 and name hb# and segid A) 4.8 3.0 0.5 
assign (resid 66 and name ha and segid A) (resid 94 and name hb# and segid A) 5.0 3.2 0.3  
assign (resid 66 and name hg1# and segid A) (resid 66 and name hb and segid A) 4.0 2.2 1.3 
assign (resid 66 and name hg2# and segid A) (resid 66 and name hb and segid A) 4.5 2.7 0.8 
!Glu 67
assign (resid 67 and name hn and segid A) (resid 67 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 67 and name hn and segid A) (resid 67 and name hb2 and segid A) 2.6 0.8 0.1
assign (resid 67 and name hn and segid A) (resid 66 and name hb and segid A) 3.5 1.7 1.8 
assign (resid 67 and name hn and segid A) (resid 67 and name hg2 and segid A) 3.6 1.8 1.7 
assign (resid 67 and name hn and segid A) (resid 67 and name hg1 and segid A) 2.8 1.0 0.7 
assign (resid 67 and name hn and segid A) (resid 63 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 67 and name hn and segid A) (resid 64 and name ha and segid A) 3.9 2.1 1.4   
assign (resid 67 and name hn and segid A) (resid 67 and name ha and segid A) 2.7 0.9 0.8    
assign (resid 67 and name hn and segid A) (resid 68 and name hn and segid A) 2.6 0.8 0.1   
assign (resid 67 and name hn and segid A) (resid 65 and name hn and segid A) 3.9 2.1 1.4  
assign (resid 67 and name hn and segid A) (resid 66 and name hg1# and segid A) 4.5 2.7 0.8 
assign (resid 67 and name hn and segid A) (resid 66 and name hg2# and segid A) 3.9 2.1 1.4 
assign (resid 67 and name hn and segid A) (resid 66 and name ha and segid A) 3.9 2.1 1.4     
assign (resid 67 and name hn and segid A) (resid 63 and name hb1 and segid A) 5.7 3.9 0.8 
assign (resid 67 and name hn and segid A) (resid 14 and name hd1# and segid A) 5.4 3.6 1.1 
assign (resid 67 and name hn and segid A) (resid 14 and name hg and segid A) 5.5 3.7 1.0  
!Asn 68
assign (resid 68 and name hn and segid A) (resid 68 and name ha and segid A) 3.4 1.6 0.1    
assign (resid 68 and name hn and segid A) (resid 65 and name ha and segid A) 3.9 2.1 1.4  
assign (resid 68 and name hn and segid A) (resid 67 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 68 and name hn and segid A) (resid 68 and name hb2 and segid A) 2.5 0.7 0.2 
assign (resid 68 and name hn and segid A) (resid 68 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 68 and name hn and segid A) (resid 67 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 68 and name hn and segid A) (resid 67 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 68 and name hn and segid A) (resid 66 and name hg2# and segid A) 5.8 4.0 0.7 
assign (resid 68 and name hn and segid A) (resid 69 and name hb# and segid A) 5.3 3.5 1.2 
assign (resid 68 and name hn and segid A) (resid 67 and name hg1 and segid A) 3.7 1.9 1.6 
assign (resid 68 and name hn and segid A) (resid 67 and name hg2 and segid A) 3.8 2.0 1.5 
assign (resid 68 and name hn and segid A) (resid 66 and name ha and segid A) 4.8 3.0 0.5    
assign (resid 68 and name hn and segid A) (resid 66 and name hn and segid A) 4.1 2.3 1.2  
assign (resid 68 and name hn and segid A) (resid 68 and name hd21 and segid A) 3.5 1.7 1.8         
assign (resid 68 and name hn and segid A) (resid 68 and name hd22 and segid A) 4.0 2.2 1.3 
assign (resid 68 and name hd21 and segid A) (resid 64 and name hg2 and segid A) 4.4 2.6 0.9      
assign (resid 68 and name hd21 and segid A) (resid 68 and name hb1 and segid A) 3.5 1.7 1.8     
assign (resid 68 and name hd21 and segid A) (resid 64 and name ha and segid A) 4.2 2.4 1.1           
assign (resid 68 and name hd22 and segid A) (resid 68 and name hb1 and segid A) 3.9 2.1 1.4      
assign (resid 68 and name hd22 and segid A) (resid 64 and name ha and segid A) 4.5 2.7 0.8            
!Ala 69
assign (resid 69 and name hn and segid A) (resid 66 and name ha and segid A) 3.3 1.5 0.2  
assign (resid 69 and name hn and segid A) (resid 69 and name ha and segid A) 3.4 1.6 0.1 
assign (resid 69 and name hn and segid A) (resid 68 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 69 and name hn and segid A) (resid 65 and name ha and segid A) 4.0 2.2 1.3
assign (resid 69 and name hn and segid A) (resid 67 and name ha and segid A) 3.5 1.7 1.8 
assign (resid 69 and name hn and segid A) (resid 68 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 69 and name hn and segid A) (resid 68 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 69 and name hn and segid A) (resid 72 and name hd1# and segid A) 6.0 4.2 0.5
assign (resid 69 and name hn and segid A) (resid 72 and name hg11 and segid A) 4.4 2.6 0.9 
assign (resid 69 and name hn and segid A) (resid 69 and name hb# and segid A) 3.6 1.8 1.7
assign (resid 69 and name hn and segid A) (resid 68 and name hn and segid A) 2.8 1.0 0.7
assign (resid 69 and name hn and segid A) (resid 67 and name hn and segid A) 3.7 1.9 1.6  
assign (resid 69 and name ha and segid A) (resid 69 and name hb# and segid A) 4.8 3.0 0.5
!Lys 70
assign (resid 70 and name hn and segid A) (resid 70 and name ha and segid A) 2.7 0.9 0.8 
assign (resid 70 and name hn and segid A) (resid 69 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 70 and name hn and segid A) (resid 95 and name hn and segid A) 4.2 2.4 1.1
assign (resid 70 and name hn and segid A) (resid 70 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 70 and name hn and segid A) (resid 70 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 70 and name hn and segid A) (resid 70 and name hg2 and segid A) 3.1 1.3 0.4 
assign (resid 70 and name hn and segid A) (resid 70 and name hd# and segid A) 5.0 3.2 0.3 
assign (resid 70 and name hn and segid A) (resid 69 and name hb# and segid A) 4.0 2.2 1.3  
assign (resid 70 and name hn and segid A) (resid 70 and name hg1 and segid A) 2.9 1.1 0.6 
assign (resid 70 and name hn and segid A) (resid 69 and name hn and segid A) 5.4 3.6 1.1   
assign (resid 70 and name ha and segid A) (resid 70 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 70 and name ha and segid A) (resid 70 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 70 and name ha and segid A) (resid 70 and name hg1 and segid A) 5.6 3.8 0.9 
assign (resid 70 and name ha and segid A) (resid 70 and name hg2 and segid A) 4.5 2.7 0.8 
assign (resid 70 and name ha and segid A) (resid 70 and name hd# and segid A) 5.3 3.5 1.2 
!Lys 71
assign (resid 71 and name hn and segid A) (resid 70 and name ha and segid A) 3.3 1.5 0.2   
assign (resid 71 and name hn and segid A) (resid 71 and name hd# and segid A) 5.1 3.3 0.2 
assign (resid 71 and name hn and segid A) (resid 71 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 71 and name hn and segid A) (resid 71 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 71 and name hn and segid A) (resid 71 and name ha and segid A) 4.1 2.3 1.2  
assign (resid 71 and name hn and segid A) (resid 71 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 71 and name hn and segid A) (resid 69 and name hb# and segid A) 4.0 2.2 1.3
assign (resid 71 and name hn and segid A) (resid 70 and name hn and segid A) 2.8 1.0 0.7   
assign (resid 71 and name hn and segid A) (resid 70 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 71 and name ha and segid A) (resid 72 and name hg11 and segid A) 4.4 2.6 0.9 
assign (resid 71 and name ha and segid A) (resid 71 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 71 and name ha and segid A) (resid 71 and name hg1 and segid A) 4.5 2.7 0.8 
assign (resid 71 and name ha and segid A) (resid 71 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 71 and name ha and segid A) (resid 71 and name hb2 and segid A) 4.5 2.7 0.8 
!Ile 72
assign (resid 72 and name hn and segid A) (resid 72 and name hd1# and segid A) 5.6 3.8 0.9 
assign (resid 72 and name hn and segid A) (resid 72 and name hg12 and segid A) 4.3 2.5 1.0 
assign (resid 72 and name hn and segid A) (resid 71 and name ha and segid A) 3.4 1.6 0.1    
assign (resid 72 and name hn and segid A) (resid 12 and name hn and segid A) 3.6 1.8 1.7  
assign (resid 72 and name hn and segid A) (resid 72 and name ha and segid A) 3.4 1.6 0.1  
assign (resid 72 and name hn and segid A) (resid 72 and name hg2# and segid A) 4.6 2.8 0.7 
assign (resid 72 and name hn and segid A) (resid 72 and name hg11 and segid A) 3.3 1.5 0.2 
assign (resid 72 and name hn and segid A) (resid 71 and name hg2 and segid A) 4.5 2.7 0.8 
assign (resid 72 and name hn and segid A) (resid 71 and name hb1 and segid A) 3.3 1.5 0.2        
assign (resid 72 and name hn and segid A) (resid 72 and name hb and segid A) 2.6 0.8 0.1 
assign (resid 72 and name ha and segid A) (resid 72 and name hg2# and segid A) 4.2 2.4 1.1
assign (resid 72 and name ha and segid A) (resid 72 and name hd1# and segid A) 4.6 2.8 0.7 
assign (resid 72 and name ha and segid A) (resid 72 and name hb and segid A) 2.8 1.0 0.7  
assign (resid 72 and name ha and segid A) (resid 94 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 72 and name ha and segid A) (resid 69 and name hb# and segid A) 5.6 3.8 0.9  
assign (resid 72 and name ha and segid A) (resid 94 and name hb# and segid A) 5.4 3.6 1.1  
assign (resid 72 and name hg2# and segid A) (resid 72 and name hb and segid A) 4.2 2.4 1.1
assign (resid 72 and name hg2# and segid A) (resid 12 and name hb# and segid A) 5.4 3.6 1.1
!Glu 73
assign (resid 73 and name hn and segid A) (resid 72 and name hg2# and segid A) 3.7 1.9 1.6   
assign (resid 73 and name hn and segid A) (resid 93 and name hb2 and segid A) 3.2 1.4 0.3  
assign (resid 73 and name hn and segid A) (resid 72 and name ha and segid A) 2.5 0.7 0.2    
assign (resid 73 and name hn and segid A) (resid 74 and name hg1# and segid A) 5.4 3.6 1.1
assign (resid 73 and name hn and segid A) (resid 72 and name hb and segid A) 3.9 2.1 1.4  
assign (resid 73 and name hn and segid A) (resid 93 and name hd2 and segid A) 4.1 2.3 1.2 
assign (resid 73 and name hn and segid A) (resid 92 and name ha and segid A) 4.4 2.6 0.9   
assign (resid 73 and name hn and segid A) (resid 72 and name hg11 and segid A) 4.5 2.7 0.8    
assign (resid 73 and name hn and segid A) (resid 73 and name hb# and segid A) 3.7 1.9 1.6   
assign (resid 73 and name ha and segid A) (resid 73 and name hb# and segid A) 3.4 1.6 0.1   
assign (resid 73 and name ha and segid A) (resid 12 and name hb# and segid A) 4.9 3.1 0.4  
assign (resid 73 and name ha and segid A) (resid 72 and name hb and segid A) 3.8 2.0 1.5  
assign (resid 73 and name ha and segid A) (resid 11 and name ha and segid A) 2.6 0.8 0.1 
assign (resid 73 and name ha and segid A) (resid 73 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 73 and name ha and segid A) (resid 73 and name hb2 and segid A) 5.4 3.6 1.1 
assign (resid 73 and name ha and segid A) (resid 9 and name hb1 and segid A) 5.3 3.5 1.2 
!Val 74
assign (resid 74 and name hn and segid A) (resid 10 and name hn and segid A) 3.1 1.3 0.4   
assign (resid 74 and name hn and segid A) (resid 73 and name ha and segid A) 2.8 1.0 0.7  
assign (resid 74 and name hn and segid A) (resid 9 and name ha and segid A) 4.2 2.4 1.1 
assign (resid 74 and name hn and segid A) (resid 11 and name ha and segid A) 4.1 2.3 1.2   
assign (resid 74 and name hn and segid A) (resid 73 and name hb# and segid A) 3.8 2.0 1.5   
assign (resid 74 and name hn and segid A) (resid 74 and name hb and segid A) 3.6 1.8 1.7 
assign (resid 74 and name hn and segid A) (resid 74 and name hg2# and segid A) 4.1 2.3 1.2
assign (resid 74 and name hn and segid A) (resid 74 and name hg1# and segid A) 4.7 2.9 0.6
assign (resid 74 and name hn and segid A) (resid 73 and name hn and segid A) 4.7 2.9 0.6   
assign (resid 74 and name ha and segid A) (resid 74 and name hb and segid A) 3.5 1.7 0.0    
assign (resid 74 and name ha and segid A) (resid 74 and name hg1# and segid A) 5.7 3.9 0.8 
assign (resid 74 and name ha and segid A) (resid 74 and name hg2# and segid A) 5.9 4.1 0.6 
assign (resid 74 and name ha and segid A) (resid 92 and name hd1# and segid A) 5.7 3.9 0.8   
assign (resid 74 and name hg1# and segid A) (resid 25 and name hd1# and segid A) 4.5 2.7 0.8 
assign (resid 74 and name hg1# and segid A) (resid 72 and name hg2# and segid A) 6.0 4.2 0.5 
assign (resid 74 and name hg1# and segid A) (resid 90 and name hb# and segid A) 5.7 3.9 0.8 
assign (resid 74 and name hg1# and segid A) (resid 74 and name hb and segid A) 4.6 2.8 0.7    
assign (resid 74 and name hg1# and segid A) (resid 92 and name hg11 and segid A) 5.9 4.1 0.6 
assign (resid 74 and name hg2# and segid A) (resid 74 and name hb and segid A) 4.6 2.8 0.7     
!Glu 75
assign (resid 75 and name hn and segid A) (resid 93 and name he2 and segid A) 3.6 1.8 1.7     
assign (resid 75 and name hn and segid A) (resid 93 and name hd2 and segid A) 4.0 2.2 1.3   
assign (resid 75 and name hn and segid A) (resid 90 and name hb# and segid A) 3.9 2.1 1.4  
assign (resid 75 and name hn and segid A) (resid 74 and name hg1# and segid A) 4.4 2.6 0.9  
assign (resid 75 and name hn and segid A) (resid 74 and name hg2# and segid A) 4.6 2.8 0.7
assign (resid 75 and name hn and segid A) (resid 74 and name hb and segid A) 2.9 1.1 0.6   
assign (resid 75 and name hn and segid A) (resid 75 and name hb1 and segid A) 2.9 1.1 0.6
assign (resid 75 and name hn and segid A) (resid 75 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 75 and name hn and segid A) (resid 75 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 75 and name hn and segid A) (resid 93 and name hn and segid A) 4.6 2.8 0.7  
assign (resid 75 and name hn and segid A) (resid 90 and name ha and segid A) 5.4 3.6 1.1  
assign (resid 75 and name hn and segid A) (resid 92 and name ha and segid A) 4.0 2.2 1.3  
assign (resid 75 and name hn and segid A) (resid 74 and name ha and segid A) 4.0 2.2 1.3
assign (resid 75 and name ha and segid A) (resid 75 and name hb1 and segid A) 3.9 2.1 1.4   
assign (resid 75 and name ha and segid A) (resid 75 and name hb2 and segid A) 3.0 1.2 0.5  
assign (resid 75 and name ha and segid A) (resid 75 and name hg1 and segid A) 3.0 1.2 0.5   
assign (resid 75 and name ha and segid A) (resid 75 and name hg2 and segid A) 4.1 2.3 1.2   
assign (resid 75 and name ha and segid A) (resid 9 and name ha and segid A) 3.0 1.2 0.5    
!Phe 76
assign (resid 76 and name hn and segid A) (resid 76 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 76 and name hn and segid A) (resid 75 and name ha and segid A) 2.5 0.7 0.2   
assign (resid 76 and name hn and segid A) (resid 76 and name hd1 and segid A) 2.8 1.0 0.7  
assign (resid 76 and name hn and segid A) (resid 90 and name hb# and segid A) 4.8 3.0 0.5  
assign (resid 76 and name hn and segid A) (resid 76 and name he# and segid A) 6.0 4.2 0.5 
assign (resid 76 and name hn and segid A) (resid 76 and name ha and segid A) 4.3 2.5 1.0  
assign (resid 76 and name hn and segid A) (resid 76 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 76 and name hn and segid A) (resid 74 and name hg2# and segid A) 5.4 3.6 1.1 
assign (resid 76 and name hn and segid A) (resid 74 and name hb and segid A) 4.8 3.0 0.5  
assign (resid 76 and name hn and segid A) (resid 75 and name hb1 and segid A) 3.7 1.9 1.6    
assign (resid 76 and name hn and segid A) (resid 75 and name hb2 and segid A) 3.7 1.9 1.6    
assign (resid 76 and name ha and segid A) (resid 76 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 76 and name ha and segid A) (resid 76 and name hb1 and segid A) 2.7 0.9 0.8
assign (resid 76 and name he1 and segid A) (resid 74 and name hg2# and segid A) 4.8 3.0 1.7 
assign (resid 76 and name he1 and segid A) (resid 27 and name he1 and segid A) 3.4 1.6 0.1
assign (resid 76 and name he2 and segid A) (resid 34 and name hz and segid A) 3.4 1.6 0.1 
assign (resid 76 and name he2 and segid A) (resid 90 and name hb# and segid A) 5.9 4.1 0.6
assign (resid 76 and name he2 and segid A) (resid 32 and name he# and segid A) 6.0 4.2 0.5
assign (resid 76 and name he2 and segid A) (resid 88 and name ha2 and segid A) 3.6 1.8 1.7 
assign (resid 76 and name he2 and segid A) (resid 88 and name ha1 and segid A) 3.1 1.3 0.4     
assign (resid 76 and name he1 and segid A) (resid 74 and name hb and segid A) 4.8 3.0 0.5     
assign (resid 76 and name he# and segid A) (resid 76 and name hb2 and segid A) 4.7 2.9 0.6 
assign (resid 76 and name he1 and segid A) (resid 76 and name hd1 and segid A) 2.2 0.4 0.5   
assign (resid 76 and name hd2 and segid A) (resid 76 and name ha and segid A) 2.6 0.8 0.9   
assign (resid 76 and name hd2 and segid A) (resid 81 and name hg2 and segid A) 3.3 1.5 0.2   
assign (resid 76 and name hd2 and segid A) (resid 81 and name hb2 and segid A) 4.2 2.4 1.1   
assign (resid 76 and name hd# and segid A) (resid 76 and name hb1 and segid A) 2.7 0.9 0.8
assign (resid 76 and name hd# and segid A) (resid 76 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 76 and name hd2 and segid A) (resid 90 and name hb# and segid A) 5.7 3.9 0.8   
assign (resid 76 and name hd1 and segid A) (resid 74 and name hg2# and segid A) 5.8 4.0 0.7
assign (resid 76 and name hz and segid A) (resid 74 and name hg2# and segid A) 5.9 4.1 0.6 
assign (resid 76 and name hz and segid A) (resid 32 and name he# and segid A) 5.0 3.2 0.3 
assign (resid 76 and name hz and segid A) (resid 34 and name he2 and segid A) 2.7 0.9 0.8                    
assign (resid 76 and name hz and segid A) (resid 90 and name hb# and segid A) 5.9 4.1 0.6   
!Asp 77
assign (resid 77 and name hn and segid A) (resid 77 and name ha and segid A) 3.2 1.4 0.3    
assign (resid 77 and name hn and segid A) (resid 76 and name hd2 and segid A) 3.6 1.8 1.7 
assign (resid 77 and name hn and segid A) (resid 37 and name hd1# and segid A) 4.7 2.9 0.6 
assign (resid 77 and name hn and segid A) (resid 76 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 77 and name hn and segid A) (resid 76 and name hb1 and segid A) 3.4 1.6 0.1
assign (resid 77 and name hn and segid A) (resid 77 and name hb1 and segid A) 4.5 2.7 0.8 
assign (resid 77 and name hn and segid A) (resid 77 and name hb2 and segid A) 3.5 1.7 0.0 
assign (resid 77 and name hn and segid A) (resid 76 and name ha and segid A) 3.5 1.7 0.0    
assign (resid 77 and name hn and segid A) (resid 118 and name ha and segid A) 5.5 3.7 1.0   
assign (resid 77 and name hn and segid A) (resid 89 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 77 and name ha and segid A) (resid 118 and name ha and segid A) 5.5 3.7 1.0   
assign (resid 77 and name ha and segid A) (resid 77 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 77 and name ha and segid A) (resid 77 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 77 and name ha and segid A) (resid 37 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 77 and name ha and segid A) (resid 78 and name hd1 and segid A) 4.2 2.4 1.1 
assign (resid 77 and name ha and segid A) (resid 78 and name hd2 and segid A) 5.8 4.0 0.7 
assign (resid 77 and name ha and segid A) (resid 78 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 77 and name ha and segid A) (resid 78 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 77 and name ha and segid A) (resid 7 and name hd1# and segid A) 3.3 1.5 0.2 
assign (resid 77 and name ha and segid A) (resid 7 and name hd2# and segid A) 3.1 1.3 0.4 
assign (resid 77 and name ha and segid A) (resid 7 and name hb2 and segid A) 5.8 4.0 0.7 
assign (resid 77 and name ha and segid A) (resid 120 and name hn and segid A) 5.5 3.7 1.0 
assign (resid 77 and name ha and segid A) (resid 120 and name hg2# and segid A) 5.9 4.1 0.6 
!Lys 78
assign (resid 78 and name hn and segid A) (resid 78 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 78 and name hn and segid A) (resid 78 and name hb1 and segid A) 3.3 1.5 0.2 
assign (resid 78 and name hn and segid A) (resid 78 and name ha and segid A) 3.5 1.7 0.0    
assign (resid 78 and name hn and segid A) (resid 77 and name ha and segid A) 3.5 1.7 0.0   
assign (resid 78 and name hn and segid A) (resid 77 and name hb1 and segid A) 3.5 1.7 0.0   
assign (resid 78 and name hn and segid A) (resid 79 and name hn and segid A) 2.7 0.9 0.8
assign (resid 78 and name hn and segid A) (resid 78 and name he# and segid A) 5.0 3.2 0.3    
assign (resid 78 and name hn and segid A) (resid 78 and name hd1 and segid A) 3.0 1.2 0.5   
assign (resid 78 and name hn and segid A) (resid 78 and name hd2 and segid A) 3.9 2.1 1.4    
assign (resid 78 and name hn and segid A) (resid 78 and name hg1 and segid A) 3.9 2.1 1.4 
assign (resid 78 and name hn and segid A) (resid 78 and name hg2 and segid A) 5.0 3.2 0.3   
assign (resid 78 and name ha and segid A) (resid 78 and name hb1 and segid A) 2.6 0.8 0.1 
assign (resid 78 and name ha and segid A) (resid 7 and name hd2# and segid A) 4.6 2.8 0.7 
assign (resid 78 and name ha and segid A) (resid 78 and name hd1# and segid A) 4.3 2.5 1.0 
assign (resid 78 and name ha and segid A) (resid 78 and name hd2# and segid A) 4.7 2.9 0.6 
!Gly 79
assign (resid 79 and name hn and segid A) (resid 78 and name ha and segid A) 3.6 1.8 1.7   
assign (resid 79 and name hn and segid A) (resid 78 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 79 and name hn and segid A) (resid 78 and name hd2 and segid A) 5.5 3.7 1.0
assign (resid 79 and name hn and segid A) (resid 78 and name hd1 and segid A) 5.0 3.2 0.3 
assign (resid 79 and name hn and segid A) (resid 77 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 79 and name hn and segid A) (resid 77 and name hb2 and segid A) 4.8 3.0 0.5 
assign (resid 79 and name hn and segid A) (resid 79 and name ha2 and segid A) 3.3 1.5 0.2 
assign (resid 79 and name hn and segid A) (resid 79 and name ha1 and segid A) 2.9 1.1 0.6 
assign (resid 79 and name hn and segid A) (resid 118 and name ha and segid A) 3.3 1.5 0.2 
assign (resid 79 and name hn and segid A) (resid 119 and name hn and segid A) 5.5 3.7 1.0 
assign (resid 79 and name hn and segid A) (resid 78 and name hn and segid A) 3.1 1.3 0.4  
!Gln 80
assign (resid 80 and name hn and segid A) (resid 80 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 80 and name hn and segid A) (resid 80 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 80 and name hn and segid A) (resid 80 and name hg# and segid A) 3.0 1.2 0.5 
assign (resid 80 and name hn and segid A) (resid 79 and name ha1 and segid A) 2.5 0.7 0.2 
assign (resid 80 and name hn and segid A) (resid 79 and name ha2 and segid A) 3.3 1.5 0.2 
assign (resid 80 and name hn and segid A) (resid 80 and name ha and segid A) 4.1 2.3 1.2  
assign (resid 80 and name hn and segid A) (resid 81 and name hn and segid A) 4.4 2.6 0.9     
!Arg 81
assign (resid 81 and name hn and segid A) (resid 82 and name hn and segid A) 2.5 0.7 0.2     
assign (resid 81 and name hn and segid A) (resid 80 and name ha and segid A) 2.4 0.6 0.3                  
assign (resid 81 and name hn and segid A) (resid 80 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 81 and name hn and segid A) (resid 80 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 81 and name hn and segid A) (resid 80 and name hg# and segid A) 4.9 3.1 0.4 
assign (resid 81 and name hn and segid A) (resid 81 and name hb2 and segid A) 2.6 0.8 0.1 
assign (resid 81 and name hn and segid A) (resid 81 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 81 and name hn and segid A) (resid 81 and name hg# and segid A) 3.5 1.7 1.8   
assign (resid 81 and name hn and segid A) (resid 82 and name hg2# and segid A) 5.5 3.7 1.0 
!Thr 82
assign (resid 82 and name hn and segid A) (resid 80 and name hb1 and segid A) 2.9 1.1 0.6  
assign (resid 82 and name hn and segid A) (resid 80 and name hg# and segid A) 5.5 3.7 1.0
assign (resid 82 and name hn and segid A) (resid 81 and name ha and segid A) 3.2 1.4 0.3    
assign (resid 82 and name hn and segid A) (resid 82 and name hg2# and segid A) 4.3 2.5 1.0  
assign (resid 82 and name hn and segid A) (resid 81 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 82 and name hn and segid A) (resid 82 and name ha and segid A) 3.3 1.5 0.2 
assign (resid 82 and name hn and segid A) (resid 89 and name hd1# and segid A) 4.7 2.9 0.6
assign (resid 82 and name hn and segid A) (resid 81 and name hg# and segid A) 5.4 3.6 1.1 
assign (resid 82 and name hn and segid A) (resid 82 and name hb and segid A) 3.8 2.0 1.5 
assign (resid 82 and name hn and segid A) (resid 81 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 82 and name hn and segid A) (resid 80 and name hb2 and segid A) 3.5 1.7 0.0 
assign (resid 82 and name ha and segid A) (resid 82 and name hb and segid A) 2.4 0.6 0.3    
assign (resid 82 and name ha and segid A) (resid 88 and name ha2 and segid A) 2.5 0.7 0.2 
assign (resid 82 and name ha and segid A) (resid 88 and name ha1 and segid A) 4.2 2.4 1.1 
assign (resid 82 and name ha and segid A) (resid 86 and name ha2 and segid A) 4.7 2.9 0.6 
assign (resid 82 and name ha and segid A) (resid 89 and name hg and segid A) 2.9 1.1 0.6     
assign (resid 82 and name ha and segid A) (resid 89 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 82 and name ha and segid A) (resid 89 and name hd* and segid A) 5.0 3.2 0.3               
assign (resid 82 and name ha and segid A) (resid 82 and name hg2# and segid A) 4.3 2.5 1.0   
assign (resid 82 and name ha and segid A) (resid 32 and name he# and segid A) 6.0 4.2 0.5    
assign (resid 82 and name hb and segid A) (resid 82 and name hg2# and segid A) 4.2 2.4 1.1   
!Asp 83
assign (resid 83 and name hn and segid A) (resid 82 and name ha and segid A) 2.6 0.8 0.9   
assign (resid 83 and name hn and segid A) (resid 83 and name ha and segid A) 3.3 1.5 0.2  
assign (resid 83 and name hn and segid A) (resid 82 and name hb and segid A) 3.0 1.2 0.5    
assign (resid 83 and name hn and segid A) (resid 83 and name hb1 and segid A) 3.2 1.4 0.3 
assign (resid 83 and name hn and segid A) (resid 83 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 83 and name hn and segid A) (resid 89 and name hg and segid A) 3.2 1.4 0.3 
assign (resid 83 and name hn and segid A) (resid 82 and name hg2# and segid A) 4.4 2.6 0.9 
assign (resid 83 and name hn and segid A) (resid 89 and name hd* and segid A) 5.4 3.6 1.1 
assign (resid 83 and name hn and segid A) (resid 87 and name hn and segid A) 2.7 0.9 0.8   
assign (resid 83 and name ha and segid A) (resid 83 and name hb1 and segid A) 3.2 1.4 0.3    
assign (resid 83 and name ha and segid A) (resid 83 and name hb2 and segid A) 3.0 1.2 0.5    
assign (resid 83 and name ha and segid A) (resid 89 and name hd1# and segid A) 4.0 2.2 1.3    
!Lys 84
assign (resid 84 and name hn and segid A) (resid 84 and name hg1 and segid A) 3.0 1.2 0.5 
assign (resid 84 and name hn and segid A) (resid 84 and name hg2 and segid A) 2.7 0.9 0.8 
assign (resid 84 and name hn and segid A) (resid 83 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 84 and name hn and segid A) (resid 83 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 84 and name hn and segid A) (resid 83 and name ha and segid A) 4.4 2.6 0.9  
assign (resid 84 and name hn and segid A) (resid 84 and name ha and segid A) 3.2 1.4 0.3    
assign (resid 84 and name hn and segid A) (resid 84 and name hb1 and segid A) 3.4 1.6 0.1 
assign (resid 84 and name hn and segid A) (resid 84 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 84 and name ha and segid A) (resid 84 and name hb1 and segid A) 2.3 0.5 0.4
assign (resid 84 and name ha and segid A) (resid 84 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 84 and name ha and segid A) (resid 84 and name hg2 and segid A) 3.6 1.8 1.7 
!Tyr 85
assign (resid 85 and name hn and segid A) (resid 85 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 85 and name hn and segid A) (resid 84 and name hg1 and segid A) 3.4 1.6 0.1 
assign (resid 85 and name hn and segid A) (resid 84 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 85 and name hn and segid A) (resid 85 and name hd1 and segid A) 3.2 1.4 0.3    
assign (resid 85 and name hn and segid A) (resid 84 and name hn and segid A) 2.8 1.0 0.7   
assign (resid 85 and name hn and segid A) (resid 85 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 85 and name hn and segid A) (resid 84 and name ha and segid A) 2.6 0.8 0.9   
assign (resid 85 and name hn and segid A) (resid 85 and name ha and segid A) 3.9 2.1 1.4   
assign (resid 85 and name hn and segid A) (resid 87 and name hn and segid A) 3.8 2.0 1.5   
assign (resid 85 and name hn and segid A) (resid 84 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 85 and name hn and segid A) (resid 84 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 85 and name ha and segid A) (resid 85 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 85 and name ha and segid A) (resid 85 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 85 and name hd# and segid A) (resid 85 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 85 and name hd# and segid A) (resid 85 and name hb1 and segid A) 2.8 1.0 0.7 
assign (resid 85 and name hd2 and segid A) (resid 85 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 85 and name hd1 and segid A) (resid 85 and name he1 and segid A) 2.2 0.4 0.5 
assign (resid 85 and name hd1 and segid A) (resid 84 and name hg# and segid A) 5.5 3.7 1.0    
assign (resid 85 and name hd1 and segid A) (resid 84 and name hb1 and segid A) 5.5 3.7 1.0     
assign (resid 85 and name hd1 and segid A) (resid 84 and name hb2 and segid A) 5.6 3.8 0.9    
assign (resid 85 and name he# and segid A) (resid 85 and name ha and segid A) 4.7 2.9 0.6
assign (resid 85 and name he1 and segid A) (resid 84 and name he# and segid A) 4.6 2.8 0.7 
!Gly 86
assign (resid 86 and name hn and segid A) (resid 86 and name ha2 and segid A) 2.9 1.1 0.6     
assign (resid 86 and name hn and segid A) (resid 86 and name ha1 and segid A) 3.3 1.5 0.2 
assign (resid 86 and name hn and segid A) (resid 85 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 86 and name hn and segid A) (resid 85 and name hb1 and segid A) 4.3 2.5 1.0
assign (resid 86 and name hn and segid A) (resid 87 and name hn and segid A) 2.9 1.1 0.6   
assign (resid 86 and name hn and segid A) (resid 87 and name ha and segid A) 5.9 4.1 0.6    
assign (resid 86 and name hn and segid A) (resid 84 and name ha and segid A) 4.2 2.4 1.1  
assign (resid 86 and name hn and segid A) (resid 82 and name hb and segid A) 4.0 2.2 1.3 
!Arg 87
assign (resid 87 and name hn and segid A) (resid 82 and name hg2# and segid A) 6.0 4.2 0.5 
assign (resid 87 and name hn and segid A) (resid 87 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 87 and name hn and segid A) (resid 82 and name ha and segid A) 4.7 2.9 0.6  
assign (resid 87 and name hn and segid A) (resid 87 and name ha and segid A) 2.7 0.9 0.8
assign (resid 87 and name hn and segid A) (resid 86 and name ha1 and segid A) 4.8 3.0 0.5 
assign (resid 87 and name hn and segid A) (resid 86 and name ha2 and segid A) 3.9 2.1 1.4 
assign (resid 87 and name hn and segid A) (resid 87 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 87 and name hn and segid A) (resid 85 and name hb1 and segid A) 4.3 2.5 1.0 
assign (resid 87 and name hn and segid A) (resid 82 and name hb and segid A) 4.2 2.4 1.1   
assign (resid 87 and name hn and segid A) (resid 87 and name hg2 and segid A) 4.4 2.6 0.9 
assign (resid 87 and name hn and segid A) (resid 87 and name hg1 and segid A) 4.4 2.6 0.9 
assign (resid 87 and name ha and segid A) (resid 33 and name hg2# and segid A) 5.4 3.6 1.1 
assign (resid 87 and name ha and segid A) (resid 87 and name hg1 and segid A) 4.0 2.2 1.3 
assign (resid 87 and name ha and segid A) (resid 87 and name hg2 and segid A) 3.1 1.3 0.4 
!Gly 88
assign (resid 88 and name hn and segid A) (resid 88 and name ha1 and segid A) 3.0 1.2 0.5 
assign (resid 88 and name hn and segid A) (resid 34 and name ha and segid A) 3.2 1.4 0.3 
assign (resid 88 and name hn and segid A) (resid 87 and name ha and segid A) 3.3 1.5 0.2 
assign (resid 88 and name hn and segid A) (resid 34 and name hb1 and segid A) 4.9 3.1 0.4 
assign (resid 88 and name hn and segid A) (resid 87 and name hg2 and segid A) 4.3 2.5 1.0 
assign (resid 88 and name hn and segid A) (resid 82 and name hg2# and segid A) 5.9 4.1 0.6
assign (resid 88 and name hn and segid A) (resid 87 and name hb2 and segid A) 4.1 2.3 1.2 
assign (resid 88 and name hn and segid A) (resid 34 and name hd# and segid A) 4.7 2.9 0.6           
assign (resid 88 and name hn and segid A) (resid 89 and name hn and segid A) 4.4 2.6 0.9  
assign (resid 88 and name hn and segid A) (resid 34 and name hn and segid A) 5.2 3.4 0.1 
assign (resid 88 and name hn and segid A) (resid 32 and name he# and segid A) 3.4 1.6 0.1  
assign (resid 88 and name hn and segid A) (resid 76 and name he2 and segid A) 5.8 4.0 0.7  
!Leu 89
assign (resid 89 and name hn and segid A) (resid 82 and name ha and segid A) 3.1 1.3 0.4    
assign (resid 89 and name hn and segid A) (resid 89 and name ha and segid A) 3.1 1.3 0.4 
assign (resid 89 and name hn and segid A) (resid 76 and name he2 and segid A) 3.1 1.3 0.4 
assign (resid 89 and name hn and segid A) (resid 82 and name hn and segid A) 4.2 2.4 1.1 
assign (resid 89 and name hn and segid A) (resid 88 and name ha2 and segid A) 2.8 1.0 0.7 
assign (resid 89 and name hn and segid A) (resid 88 and name ha1 and segid A) 3.5 1.7 0.0 
assign (resid 89 and name hn and segid A) (resid 89 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 89 and name hn and segid A) (resid 89 and name hg and segid A) 3.0 1.2 0.5   
assign (resid 89 and name hn and segid A) (resid 89 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 89 and name hn and segid A) (resid 89 and name hd* and segid A) 5.1 3.3 0.2         
assign (resid 89 and name hn and segid A) (resid 82 and name hg2# and segid A) 5.6 3.8 0.9 
assign (resid 89 and name hn and segid A) (resid 76 and name hd2 and segid A) 4.2 2.4 1.1  
assign (resid 89 and name ha and segid A) (resid 89 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 89 and name ha and segid A) (resid 37 and name hg and segid A) 3.4 1.6 0.1    
assign (resid 89 and name ha and segid A) (resid 89 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 89 and name ha and segid A) (resid 89 and name hd* and segid A) 4.5 2.7 0.8      
assign (resid 89 and name hb2 and segid A) (resid 89 and name hd* and segid A) 3.5 1.7 1.8     
!Ala 90
assign (resid 90 and name hn and segid A) (resid 90 and name hb# and segid A) 4.0 2.2 1.3     
assign (resid 90 and name hn and segid A) (resid 89 and name hd2# and segid A) 4.9 3.1 0.4           
assign (resid 90 and name hn and segid A) (resid 37 and name hg and segid A) 3.0 1.2 0.5 
assign (resid 90 and name hn and segid A) (resid 89 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 90 and name hn and segid A) (resid 37 and name hd1# and segid A) 5.0 3.2 0.3
assign (resid 90 and name hn and segid A) (resid 90 and name ha and segid A) 4.6 2.8 0.7
assign (resid 90 and name hn and segid A) (resid 89 and name hg and segid A) 4.9 3.1 0.4   
assign (resid 90 and name hn and segid A) (resid 89 and name hb2 and segid A) 4.1 2.3 1.2 
assign (resid 90 and name hn and segid A) (resid 34 and name he2 and segid A) 5.1 3.3 0.2
assign (resid 90 and name hn and segid A) (resid 37 and name hn and segid A) 3.5 1.7 1.8   
assign (resid 90 and name hn and segid A) (resid 89 and name hb1 and segid A) 3.4 1.6 0.1 
assign (resid 90 and name ha and segid A) (resid 90 and name hb# and segid A) 4.4 2.6 0.9  
assign (resid 90 and name ha and segid A) (resid 37 and name hd1# and segid A) 4.8 3.0 0.5  
assign (resid 90 and name hb# and segid A) (resid 37 and name hd1# and segid A) 5.5 3.7 1.0 
!Tyr 91
assign (resid 91 and name hn and segid A) (resid 75 and name hn and segid A) 3.2 1.4 0.3   
assign (resid 91 and name hn and segid A) (resid 75 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 91 and name hn and segid A) (resid 91 and name hb1 and segid A) 3.6 1.8 1.7  
assign (resid 91 and name hn and segid A) (resid 37 and name hd1# and segid A) 4.9 3.1 0.4 
assign (resid 91 and name hn and segid A) (resid 90 and name hb# and segid A) 4.0 2.2 1.3 
assign (resid 91 and name hn and segid A) (resid 75 and name hb2 and segid A) 4.6 2.8 0.7 
assign (resid 91 and name hn and segid A) (resid 90 and name ha and segid A) 3.4 1.6 0.1    
assign (resid 91 and name he1 and segid A) (resid 38 and name hd1# and segid A) 4.3 2.5 1.0 
assign (resid 91 and name he1 and segid A) (resid 37 and name hd1# and segid A) 5.8 4.0 0.7  
assign (resid 91 and name he1 and segid A) (resid 121 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 91 and name he1 and segid A) (resid 38 and name hb1 and segid A) 4.0 2.2 1.3  
assign (resid 91 and name he2 and segid A) (resid 120 and name hg2# and segid A) 5.7 3.9 0.8    
assign (resid 91 and name he1 and segid A) (resid 37 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 91 and name he1 and segid A) (resid 37 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 91 and name he1 and segid A) (resid 38 and name hg and segid A) 3.5 1.7 1.8   
assign (resid 91 and name he2 and segid A) (resid 7 and name hd1# and segid A) 5.5 3.7 1.0   
assign (resid 91 and name he2 and segid A) (resid 77 and name hb1 and segid A) 3.8 2.0 1.5    
assign (resid 91 and name he2 and segid A) (resid 77 and name hb2 and segid A) 3.0 1.2 0.5    
assign (resid 91 and name he# and segid A) (resid 121 and name hd2 and segid A) 3.6 1.8 1.7
assign (resid 91 and name he2 and segid A) (resid 77 and name ha and segid A) 2.9 1.1 0.6    
assign (resid 91 and name he1 and segid A) (resid 91 and name hd1 and segid A) 3.2 1.4 0.3  
!Ile 92
assign (resid 92 and name hn and segid A) (resid 92 and name hd1# and segid A) 5.3 3.5 1.2 
assign (resid 92 and name hn and segid A) (resid 92 and name hg2# and segid A) 4.6 2.8 0.7 
assign (resid 92 and name hn and segid A) (resid 92 and name hg11 and segid A) 3.3 1.5 0.2 
assign (resid 92 and name hn and segid A) (resid 92 and name hg12 and segid A) 3.8 2.0 1.5 
assign (resid 92 and name hn and segid A) (resid 92 and name hb and segid A) 2.6 0.8 0.1  
assign (resid 92 and name hn and segid A) (resid 100 and name hd22 and segid A) 4.2 2.4 1.1 
assign (resid 92 and name hn and segid A) (resid 92 and name ha and segid A) 4.0 2.2 1.3 
assign (resid 92 and name hn and segid A) (resid 100 and name hb2 and segid A) 4.6 2.8 0.7 
assign (resid 92 and name hn and segid A) (resid 36 and name hd2# and segid A) 4.8 3.0 0.5
assign (resid 92 and name ha and segid A) (resid 92 and name hg2# and segid A) 4.5 2.7 0.8
assign (resid 92 and name ha and segid A) (resid 92 and name hb and segid A) 2.6 0.8 0.9 
assign (resid 92 and name ha and segid A) (resid 74 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 92 and name ha and segid A) (resid 92 and name hd1# and segid A) 4.7 2.9 0.6 
assign (resid 92 and name ha and segid A) (resid 92 and name hg11 and segid A) 2.7 0.9 0.8 
assign (resid 92 and name ha and segid A) (resid 92 and name hg12 and segid A) 2.5 0.7 0.2 
assign (resid 92 and name hg2# and segid A) (resid 92 and name hb and segid A) 3.9 2.1 1.4 
assign (resid 92 and name hd1# and segid A) (resid 92 and name hg2# and segid A) 4.1 2.3 1.2
assign (resid 92 and name hd1# and segid A) (resid 92 and name hg11 and segid A) 4.7 2.9 0.6 
assign (resid 92 and name hd1# and segid A) (resid 92 and name hg12 and segid A) 4.5 2.7 0.8 
assign (resid 92 and name hd1# and segid A) (resid 92 and name hb and segid A) 4.3 2.5 1.0
!Tyr 93
assign (resid 93 and name hn and segid A) (resid 93 and name hd2 and segid A) 2.8 1.0 0.7   
assign (resid 93 and name hn and segid A) (resid 73 and name hn and segid A) 3.0 1.2 0.5   
assign (resid 93 and name hn and segid A) (resid 92 and name ha and segid A) 2.8 1.0 0.7 
assign (resid 93 and name hn and segid A) (resid 93 and name hb2 and segid A) 3.2 1.4 0.3
assign (resid 93 and name hn and segid A) (resid 99 and name hg2# and segid A) 5.9 4.1 0.6 
assign (resid 93 and name hn and segid A) (resid 92 and name hg12 and segid A) 4.3 2.5 1.0 
assign (resid 93 and name hn and segid A) (resid 92 and name hg2# and segid A) 3.6 1.8 1.7 
assign (resid 93 and name hn and segid A) (resid 92 and name hd1# and segid A) 5.8 4.0 0.7   
assign (resid 93 and name hn and segid A) (resid 93 and name ha and segid A) 4.2 2.4 1.1  
assign (resid 93 and name hn and segid A) (resid 74 and name hg1# and segid A) 5.7 3.9 0.8 
assign (resid 93 and name hn and segid A) (resid 92 and name hb and segid A) 3.5 1.7 1.8
assign (resid 93 and name hn and segid A) (resid 98 and name ha and segid A) 4.9 3.1 0.4  
assign (resid 93 and name hn and segid A) (resid 93 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 93 and name ha and segid A) (resid 98 and name ha and segid A) 2.5 0.7 0.2  
assign (resid 93 and name ha and segid A) (resid 93 and name hb1 and segid A) 2.7 0.9 0.0 
assign (resid 93 and name ha and segid A) (resid 93 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 93 and name hd2 and segid A) (resid 92 and name hg2# and segid A) 5.5 3.7 1.0  
assign (resid 93 and name hd2 and segid A) (resid 92 and name hg11 and segid A) 5.5 3.7 1.0 
assign (resid 93 and name hd1 and segid A) (resid 98 and name hb1 and segid A) 5.0 3.2 0.3  
assign (resid 93 and name hd1 and segid A) (resid 98 and name hb2 and segid A) 3.6 1.8 1.7  
assign (resid 93 and name hd1 and segid A) (resid 98 and name he# and segid A) 5.8 4.0 0.7 
assign (resid 93 and name hd1 and segid A) (resid 97 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 93 and name hd1 and segid A) (resid 96 and name ha2 and segid A) 4.0 2.2 1.3  
assign (resid 93 and name hd1 and segid A) (resid 98 and name ha and segid A) 2.9 1.1 0.6   
assign (resid 93 and name hd1 and segid A) (resid 98 and name hb2 and segid A) 3.8 2.0 1.5    
assign (resid 93 and name hd1 and segid A) (resid 97 and name ha and segid A) 3.5 1.7 1.8  
assign (resid 93 and name hd1 and segid A) (resid 9 and name he# and segid A) 3.5 1.7 1.8   
assign (resid 93 and name hd2 and segid A) (resid 92 and name ha and segid A) 3.0 1.2 0.5   
assign (resid 93 and name hd2 and segid A) (resid 9 and name hg1 and segid A) 5.4 3.6 1.1    
assign (resid 93 and name hd# and segid A) (resid 93 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 93 and name hd# and segid A) (resid 93 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 93 and name hd1 and segid A) (resid 93 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 93 and name hd2 and segid A) (resid 74 and name ha and segid A) 5.0 3.2 0.3              
assign (resid 93 and name hd1 and segid A) (resid 93 and name he1 and segid A) 2.2 0.4 0.5 
assign (resid 93 and name hd2 and segid A) (resid 73 and name hb# and segid A) 5.5 3.7 1.0   
assign (resid 93 and name he2 and segid A) (resid 91 and name hb1 and segid A) 2.9 1.1 0.6   
assign (resid 93 and name he1 and segid A) (resid 98 and name he# and segid A) 4.5 2.7 0.8  
assign (resid 93 and name he1 and segid A) (resid 98 and name hb2 and segid A) 2.7 0.9 0.8    
assign (resid 93 and name he2 and segid A) (resid 75 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 93 and name he2 and segid A) (resid 91 and name ha and segid A) 4.6 2.8 0.7
assign (resid 93 and name he2 and segid A) (resid 75 and name ha and segid A) 4.4 2.6 0.9
!Ala 94
assign (resid 94 and name hn and segid A) (resid 93 and name hd1 and segid A) 3.8 2.0 1.5 
assign (resid 94 and name hn and segid A) (resid 99 and name hg2# and segid A) 4.5 2.7 0.8
assign (resid 94 and name hn and segid A) (resid 94 and name hb# and segid A) 3.0 1.2 0.5 
assign (resid 94 and name hn and segid A) (resid 92 and name hg2# and segid A) 5.8 4.0 0.7 
assign (resid 94 and name hn and segid A) (resid 94 and name ha and segid A) 3.3 1.5 0.2   
assign (resid 94 and name hn and segid A) (resid 93 and name ha and segid A) 2.7 0.9 0.8 
assign (resid 94 and name hn and segid A) (resid 93 and name hb1 and segid A) 3.5 1.7 0.0 
assign (resid 94 and name hn and segid A) (resid 93 and name hb2 and segid A) 4.1 2.3 1.2 
assign (resid 94 and name hn and segid A) (resid 99 and name hn and segid A) 4.9 3.1 0.4    
assign (resid 94 and name ha and segid A) (resid 94 and name hb# and segid A) 4.2 2.4 1.1
assign (resid 94 and name ha and segid A) (resid 72 and name hd1# and segid A) 5.8 4.0 0.7 
assign (resid 94 and name ha and segid A) (resid 72 and name hg12 and segid A) 3.5 1.7 1.8 
assign (resid 94 and name ha and segid A) (resid 69 and name hb# and segid A ) 4.0 2.2 1.3
!Asp 95
assign (resid 95 and name hn and segid A) (resid 94 and name hn and segid A) 4.0 2.2 1.3     
assign (resid 95 and name hn and segid A) (resid 96 and name hn and segid A) 2.5 0.7 0.2 
assign (resid 95 and name hn and segid A) (resid 71 and name hn and segid A) 3.1 1.3 0.4
assign (resid 95 and name hn and segid A) (resid 97 and name hn and segid A) 4.1 2.3 1.2  
assign (resid 95 and name hn and segid A) (resid 94 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 95 and name hn and segid A) (resid 95 and name hb2 and segid A) 4.1 2.3 1.2 
assign (resid 95 and name hn and segid A) (resid 95 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 95 and name hn and segid A) (resid 94 and name hb# and segid A) 4.3 2.5 1.0  
assign (resid 95 and name hn and segid A) (resid 69 and name hb# and segid A) 4.6 2.8 0.7  
assign (resid 95 and name hn and segid A) (resid 71 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 95 and name hn and segid A) (resid 95 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 95 and name hn and segid A) (resid 72 and name ha and segid A) 4.2 2.4 1.1   
assign (resid 95 and name hn and segid A) (resid 71 and name hg2 and segid A) 5.3 3.5 1.2 
assign (resid 95 and name ha and segid A) (resid 95 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 95 and name ha and segid A) (resid 95 and name hb1 and segid A) 2.6 0.8 0.1 
!Gly 96
assign (resid 96 and name hn and segid A) (resid 97 and name hn and segid A) 2.8 1.0 0.7    
assign (resid 96 and name hn and segid A) (resid 96 and name ha2 and segid A) 2.9 1.1 0.6 
assign (resid 96 and name hn and segid A) (resid 96 and name ha1 and segid A) 3.1 1.3 0.4 
assign (resid 96 and name hn and segid A) (resid 95 and name hb1 and segid A) 4.5 2.7 0.8 
assign (resid 96 and name hn and segid A) (resid 95 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 96 and name hn and segid A) (resid 94 and name ha and segid A) 4.2 2.4 1.1   
assign (resid 96 and name hn and segid A) (resid 71 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 96 and name hn and segid A) (resid 71 and name hb1 and segid A) 5.3 3.5 1.2 
assign (resid 96 and name hn and segid A) (resid 94 and name hb# and segid A) 6.0 4.2 0.5     
assign (resid 96 and name hn and segid A) (resid 93 and name hd1 and segid A) 5.4 3.6 1.1   
!Lys 97
assign (resid 97 and name hn and segid A) (resid 97 and name hb2 and segid A) 2.7 0.9 0.8
assign (resid 97 and name hn and segid A) (resid 97 and name hg# and segid A) 3.9 2.1 1.4   
assign (resid 97 and name hn and segid A) (resid 96 and name ha2 and segid A) 3.1 1.3 0.4 
assign (resid 97 and name hn and segid A) (resid 96 and name ha1 and segid A) 3.8 2.0 1.5 
assign (resid 97 and name hn and segid A) (resid 94 and name hn and segid A) 3.2 1.4 0.3     
assign (resid 97 and name hn and segid A) (resid 93 and name hd1 and segid A) 5.0 3.2 0.3   
assign (resid 97 and name hn and segid A) (resid 97 and name hb1 and segid A) 3.1 1.3 0.4 
assign (resid 97 and name hn and segid A) (resid 94 and name hb# and segid A) 4.5 2.7 0.8 
assign (resid 97 and name hn and segid A) (resid 97 and name he# and segid A) 5.7 3.9 0.8 
assign (resid 97 and name ha and segid A) (resid 97 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 97 and name ha and segid A) (resid 97 and name hb2 and segid A) 3.0 1.2 0.5 
!Met 98
assign (resid 98 and name hn and segid A) (resid 97 and name ha and segid A) 3.3 1.5 0.2    
assign (resid 98 and name hn and segid A) (resid 98 and name hb1 and segid A) 4.0 2.2 1.3   
assign (resid 98 and name hn and segid A) (resid 98 and name hb2 and segid A) 2.6 0.8 0.1   
assign (resid 98 and name hn and segid A) (resid 98 and name hg# and segid A) 4.0 2.2 1.3 
assign (resid 98 and name hn and segid A) (resid 98 and name he# and segid A) 5.5 3.7 1.0     
assign (resid 98 and name hn and segid A) (resid 97 and name hg# and segid A) 4.3 2.5 1.0       
assign (resid 98 and name hn and segid A) (resid 97 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 98 and name hn and segid A) (resid 97 and name hb2 and segid A) 4.9 3.1 0.4 
assign (resid 98 and name hn and segid A) (resid 98 and name ha and segid A) 3.0 1.2 0.5    
assign (resid 98 and name hn and segid A) (resid 101 and name hn and segid A) 4.7 2.9 0.6    
assign (resid 98 and name hn and segid A) (resid 101 and name hb2 and segid A) 5.5 3.7 1.0    
assign (resid 98 and name hn and segid A) (resid 102 and name hn and segid A) 5.0 3.2 0.3   
assign (resid 98 and name hn and segid A) (resid 99 and name hn and segid A) 4.8 3.0 0.5    
assign (resid 98 and name hn and segid A) (resid 93 and name he1 and segid A) 3.8 2.0 1.5    
assign (resid 98 and name hn and segid A) (resid 93 and name hd1 and segid A) 3.3 1.5 0.2   
assign (resid 98 and name hn and segid A) (resid 93 and name ha and segid A) 4.5 2.7 0.8     
assign (resid 98 and name ha and segid A) (resid 98 and name hb2 and segid A) 2.5 0.7 0.2 
!Val 99
assign (resid 99 and name hn and segid A) (resid 99 and name ha and segid A) 3.2 1.4 0.3   
assign (resid 99 and name hn and segid A) (resid 98 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 99 and name hn and segid A) (resid 93 and name ha and segid A) 3.7 1.9 1.6   
assign (resid 99 and name hn and segid A) (resid 102 and name hn and segid A) 4.7 2.9 0.6 
assign (resid 99 and name hn and segid A) (resid 100 and name hn and segid A) 3.3 1.5 0.2  
assign (resid 99 and name hn and segid A) (resid 99 and name hb and segid A) 3.1 1.3 0.4   
assign (resid 99 and name hn and segid A) (resid 99 and name hg1# and segid A) 4.5 2.7 0.8  
assign (resid 99 and name hn and segid A) (resid 99 and name hg2# and segid A) 3.6 1.8 1.7 
assign (resid 99 and name hn and segid A) (resid 92 and name hg2# and segid A) 5.3 3.5 1.2 
assign (resid 99 and name hn and segid A) (resid 97 and name hg2 and segid A) 6.0 4.2 0.5   
assign (resid 99 and name hn and segid A) (resid 94 and name hb# and segid A) 6.0 4.2 0.5           
assign (resid 99 and name ha and segid A) (resid 99 and name hg2# and segid A) 4.2 2.4 1.1 
assign (resid 99 and name ha and segid A) (resid 99 and name hg1# and segid A) 4.0 2.2 1.3 
assign (resid 99 and name ha and segid A) (resid 102 and name hn and segid A) 4.5 2.7 0.8          
assign (resid 99 and name ha and segid A) (resid 99 and name hb and segid A) 3.0 1.2 0.5   
assign (resid 99 and name ha and segid A) (resid 102 and name hb# and segid A) 4.4 2.6 0.9
!Asn 100
assign (resid 100 and name hn and segid A) (resid 98 and name hg1 and segid A) 3.0 1.2 0.5 
assign (resid 100 and name hn and segid A) (resid 99 and name ha and segid A) 3.5 1.7 1.8  
assign (resid 100 and name hn and segid A) (resid 98 and name ha and segid A) 3.8 2.0 1.5 
assign (resid 100 and name hn and segid A) (resid 102 and name hn and segid A) 4.3 2.5 1.0 
assign (resid 100 and name hn and segid A) (resid 92 and name hn and segid A) 3.9 2.1 1.4  
assign (resid 100 and name hn and segid A) (resid 36 and name hd2# and segid A) 4.9 3.1 0.4 
assign (resid 100 and name hn and segid A) (resid 92 and name hb and segid A) 4.1 2.3 1.2 
assign (resid 100 and name hn and segid A) (resid 36 and name hb1 and segid A) 4.8 3.0 0.5 
assign (resid 100 and name hn and segid A) (resid 99 and name hb and segid A) 2.6 0.8 0.1  
assign (resid 100 and name hn and segid A) (resid 99 and name hg2# and segid A) 4.6 2.8 0.7 
assign (resid 100 and name hn and segid A) (resid 99 and name hg1# and segid A) 4.2 2.4 1.1 
assign (resid 100 and name hn and segid A) (resid 100 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 100 and name hn and segid A) (resid 100 and name hb2 and segid A) 3.2 1.4 0.3 
assign (resid 100 and name hn and segid A) (resid 100 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 100 and name ha and segid A) (resid 100 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 100 and name ha and segid A) (resid 103 and name hn and segid A) 4.9 3.1 1.6 
assign (resid 100 and name hd21 and segid A) (resid 36 and name hb1 and segid A) 3.6 1.8 1.7
assign (resid 100 and name hd21 and segid A) (resid 36 and name hd* and segid A) 5.0 3.2 0.3 
assign (resid 100 and name hd21 and segid A) (resid 37 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 100 and name hd21 and segid A) (resid 100 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 100 and name hd21 and segid A) (resid 100 and name hb2 and segid A) 4.1 2.3 1.2 
assign (resid 100 and name hd21 and segid A) (resid 37 and name hn and segid A) 4.7 2.9 0.6  
assign (resid 100 and name hd21 and segid A) (resid 92 and name hn and segid A) 5.6 3.8 0.9  
assign (resid 100 and name hd22 and segid A) (resid 36 and name hd* and segid A) 4.9 3.1 0.4 
assign (resid 100 and name hd22 and segid A) (resid 36 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 100 and name hd22 and segid A) (resid 36 and name hb2 and segid A) 5.7 3.9 0.8 
assign (resid 100 and name hd22 and segid A) (resid 100 and name hb1 and segid A) 4.2 2.4 1.1 
assign (resid 100 and name hd22 and segid A) (resid 100 and name hb2 and segid A) 4.2 2.4 1.1 
assign (resid 100 and name hd22 and segid A) (resid 37 and name hn and segid A) 4.1 2.3 1.2   
assign (resid 100 and name hd22 and segid A) (resid 37 and name hb1 and segid A) 4.2 2.4 1.1    
assign (resid 100 and name hd22 and segid A) (resid 92 and name hn and segid A) 4.4 2.6 0.9   
assign (resid 100 and name hd22 and segid A) (resid 92 and name hb and segid A) 4.6 2.8 0.7    
!Glu 101
assign (resid 101 and name hn and segid A) (resid 102 and name hb# and segid A) 5.6 3.8 0.9 
assign (resid 101 and name hn and segid A) (resid 101 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 101 and name hn and segid A) (resid 98 and name hb2 and segid A) 3.7 1.9 1.6 
assign (resid 101 and name hn and segid A) (resid 98 and name he# and segid A) 4.7 2.9 0.6  
assign (resid 101 and name hn and segid A) (resid 125 and name hd2# and segid A) 5.3 3.5 1.2 
assign (resid 101 and name hn and segid A) (resid 101 and name hg# and segid A) 3.9 2.1 1.4 
assign (resid 101 and name hn and segid A) (resid 101 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 101 and name hn and segid A) (resid 100 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 101 and name hn and segid A) (resid 100 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 101 and name hn and segid A) (resid 100 and name ha and segid A) 3.5 1.7 1.8 
assign (resid 101 and name hn and segid A) (resid 101 and name ha and segid A) 3.0 1.2 0.5 
assign (resid 101 and name hn and segid A) (resid 102 and name hn and segid A) 2.6 0.8 0.1   
assign (resid 101 and name hn and segid A) (resid 100 and name hn and segid A) 3.1 1.3 0.4 
assign (resid 101 and name hn and segid A) (resid 99 and name hn and segid A) 5.6 3.8 0.9   
assign (resid 101 and name ha and segid A) (resid 125 and name hd2# and segid A) 4.1 2.3 1.2 
assign (resid 101 and name ha and segid A) (resid 101 and name hb1 and segid A) 3.0 1.2 0.5
assign (resid 101 and name ha and segid A) (resid 101 and name hg# and segid A) 3.5 1.7 1.8   
!Ala 102
assign (resid 102 and name hn and segid A) (resid 101 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 102 and name hn and segid A) (resid 99 and name hg1# and segid A) 5.9 4.1 0.6  
assign (resid 102 and name hn and segid A) (resid 125 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 102 and name hn and segid A) (resid 102 and name hb# and segid A) 3.5 1.7 1.8  
assign (resid 102 and name hn and segid A) (resid 101 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 102 and name hn and segid A) (resid 101 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 102 and name hn and segid A) (resid 102 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 102 and name hn and segid A) (resid 103 and name ha and segid A) 5.4 3.6 1.1  
assign (resid 102 and name hn and segid A) (resid 61 and name he2 and segid A) 4.7 2.9 0.6      
assign (resid 102 and name hn and segid A) (resid 103 and name hn and segid A) 2.9 1.1 0.6 
assign (resid 102 and name ha and segid A) (resid 102 and name hb# and segid A) 4.1 2.3 1.2 
assign (resid 102 and name ha and segid A) (resid 105 and name hb# and segid A) 3.6 1.8 1.7
!Leu 103
assign (resid 103 and name hn and segid A) (resid 101 and name hn and segid A) 4.3 2.5 1.0  
assign (resid 103 and name hn and segid A) (resid 103 and name ha and segid A) 2.8 1.0 0.7 
assign (resid 103 and name hn and segid A) (resid 99 and name ha and segid A) 3.8 2.0 1.5  
assign (resid 103 and name hn and segid A) (resid 103 and name hd1# and segid A) 4.1 2.3 1.2 
assign (resid 103 and name hn and segid A) (resid 103 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 103 and name hn and segid A) (resid 103 and name hb1 and segid A) 3.5 1.7 1.8
assign (resid 103 and name hn and segid A) (resid 103 and name hb2 and segid A) 2.8 1.0 0.7
assign (resid 103 and name hn and segid A) (resid 103 and name hg and segid A) 2.5 0.7 0.2   
assign (resid 103 and name hn and segid A) (resid 102 and name ha and segid A) 3.2 1.4 0.3  
assign (resid 103 and name hn and segid A) (resid 61 and name he2 and segid A) 3.6 1.8 1.7  
assign (resid 103 and name hn and segid A) (resid 104 and name hn and segid A) 2.8 1.0 0.7 
assign (resid 103 and name hn and segid A) (resid 104 and name hb and segid A) 4.9 3.1 0.4    
assign (resid 103 and name hn and segid A) (resid 101 and name hb2 and segid A) 5.6 3.8 0.9 
assign (resid 103 and name hn and segid A) (resid 102 and name hb# and segid A) 4.0 2.2 1.3   
assign (resid 103 and name ha and segid A) (resid 103 and name hg and segid A) 2.7 0.9 0.8   
assign (resid 103 and name ha and segid A) (resid 103 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 103 and name ha and segid A) (resid 103 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 103 and name ha and segid A) (resid 103 and name hb1 and segid A) 2.4 0.6 0.3  
assign (resid 103 and name ha and segid A) (resid 103 and name hd1# and segid A) 4.7 2.9 0.6 
assign (resid 103 and name ha and segid A) (resid 108 and name hd1# and segid A) 4.0 2.2 1.3  
assign (resid 103 and name ha and segid A) (resid 108 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 103 and name ha and segid A) (resid 106 and name hb1 and segid A) 5.0 3.2 0.3 
!Val 104
assign (resid 104 and name hn and segid A) (resid 104 and name hg* and segid A) 3.5 1.7 1.8  
assign (resid 104 and name hn and segid A) (resid 103 and name hg and segid A) 4.2 2.4 1.1   
assign (resid 104 and name hn and segid A) (resid 103 and name hb2 and segid A) 2.8 1.0 0.7          
assign (resid 104 and name hn and segid A) (resid 101 and name ha and segid A) 3.4 1.6 0.1   
assign (resid 104 and name hn and segid A) (resid 104 and name hb and segid A) 2.6 0.8 0.9  
assign (resid 104 and name hn and segid A) (resid 125 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 104 and name hn and segid A) (resid 103 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 104 and name hn and segid A) (resid 104 and name ha and segid A) 3.2 1.4 0.3 
assign (resid 104 and name hn and segid A) (resid 100 and name ha and segid A) 4.5 2.7 0.8 
assign (resid 104 and name hn and segid A) (resid 103 and name hd2# and segid A) 5.5 3.7 1.0 
assign (resid 104 and name hn and segid A) (resid 101 and name hb1 and segid A) 5.6 3.8 0.9 
assign (resid 104 and name hn and segid A) (resid 102 and name hn and segid A) 3.8 2.0 1.5   
assign (resid 104 and name hn and segid A) (resid 106 and name hn and segid A) 4.2 2.4 1.1   
assign (resid 104 and name ha and segid A) (resid 104 and name hg* and segid A) 4.1 2.3 1.2  
!Arg 105
assign (resid 105 and name hn and segid A) (resid 104 and name hn and segid A) 2.7 0.9 0.8 
assign (resid 105 and name hn and segid A) (resid 106 and name hn and segid A) 2.8 1.0 0.7  
assign (resid 105 and name hn and segid A) (resid 103 and name hn and segid A) 3.7 1.9 1.6 
assign (resid 105 and name hn and segid A) (resid 105 and name hb# and segid A) 2.6 0.8 0.1 
assign (resid 105 and name hn and segid A) (resid 104 and name hb and segid A) 2.6 0.8 0.9 
assign (resid 105 and name hn and segid A) (resid 104 and name hg* and segid A) 4.1 2.3 1.2   
assign (resid 105 and name hn and segid A) (resid 101 and name hb1 and segid A) 5.3 3.5 1.2         
assign (resid 105 and name hn and segid A) (resid 105 and name ha and segid A) 3.3 1.5 0.2  
assign (resid 105 and name hn and segid A) (resid 102 and name ha and segid A) 3.6 1.8 1.7   
assign (resid 105 and name hn and segid A) (resid 101 and name ha and segid A) 3.8 2.0 1.5  
assign (resid 105 and name hn and segid A) (resid 103 and name hb2 and segid A) 6.0 4.2 0.5 
assign (resid 105 and name hn and segid A) (resid 106 and name ha and segid A) 5.8 4.0 0.7 
assign (resid 105 and name hn and segid A) (resid 106 and name hb2 and segid A) 5.0 3.2 0.3  
assign (resid 105 and name hn and segid A) (resid 104 and name ha and segid A) 4.3 2.5 1.0  
assign (resid 105 and name hn and segid A) (resid 101 and name hg# and segid A) 5.6 3.8 0.9   
assign (resid 105 and name hn and segid A) (resid 128 and name hb# and segid A) 5.5 3.7 1.0  
!Glu 106
assign (resid 106 and name hn and segid A) (resid 106 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 106 and name hn and segid A) (resid 105 and name hb1 and segid A) 2.9 1.1 0.6            
assign (resid 106 and name hn and segid A) (resid 106 and name hb2 and segid A) 2.9 1.1 0.6         
assign (resid 106 and name hn and segid A) (resid 106 and name hg# and segid A) 3.7 1.9 1.6    
assign (resid 106 and name hn and segid A) (resid 106 and name ha and segid A) 3.7 1.9 1.6   
assign (resid 106 and name hn and segid A) (resid 103 and name hb1 and segid A) 4.8 3.0 0.5 
assign (resid 106 and name hn and segid A) (resid 103 and name ha and segid A) 4.7 2.9 0.6
assign (resid 106 and name hn and segid A) (resid 105 and name ha and segid A) 4.9 3.1 0.4   
!Gly 107
assign (resid 107 and name hn and segid A) (resid 109 and name hn and segid A) 3.5 1.7 1.8    
assign (resid 107 and name hn and segid A) (resid 106 and name hn and segid A) 2.7 0.9 0.8   
assign (resid 107 and name hn and segid A) (resid 108 and name hn and segid A) 3.1 1.3 0.4  
assign (resid 107 and name hn and segid A) (resid 107 and name ha2 and segid A) 3.2 1.4 0.3           
assign (resid 107 and name hn and segid A) (resid 104 and name ha and segid A) 5.5 3.7 1.0                 
assign (resid 107 and name hn and segid A) (resid 107 and name ha1 and segid A) 3.5 1.7 1.8 
assign (resid 107 and name hn and segid A) (resid 104 and name hb and segid A) 5.4 3.6 1.1  
assign (resid 107 and name hn and segid A) (resid 106 and name hb2 and segid A) 3.6 1.8 1.7 
assign (resid 107 and name hn and segid A) (resid 106 and name hg# and segid A) 5.8 4.0 0.7   
assign (resid 107 and name hn and segid A) (resid 106 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 107 and name hn and segid A) (resid 132 and name hb# and segid A) 4.2 2.4 1.1  
assign (resid 107 and name hn and segid A) (resid 137 and name hd1# and segid A) 4.9 3.1 0.4 
assign (resid 107 and name hn and segid A) (resid 104 and name hg1# and segid A) 5.1 3.3 0.2 
assign (resid 107 and name hn and segid A) (resid 108 and name hb2 and segid A) 4.8 3.0 0.5           
assign (resid 107 and name hn and segid A) (resid 108 and name hg and segid A) 4.8 3.0 0.5                
assign (resid 107 and name hn and segid A) (resid 105 and name hn and segid A) 6.0 4.2 0.5   
assign (resid 107 and name hn and segid A) (resid 138 and name hb2 and segid A) 6.0 4.2 0.5    
!Leu 108
assign (resid 108 and name hn and segid A) (resid 109 and name hn and segid A) 2.5 0.7 0.2   
assign (resid 108 and name hn and segid A) (resid 103 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 108 and name hn and segid A) (resid 108 and name hg and segid A) 2.9 1.1 0.6        
assign (resid 108 and name hn and segid A) (resid 108 and name hb2 and segid A) 2.9 1.1 0.6 
assign (resid 108 and name hn and segid A) (resid 108 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 108 and name hn and segid A) (resid 103 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 108 and name hn and segid A) (resid 106 and name hb1 and segid A) 3.9 2.1 1.4 
assign (resid 108 and name hn and segid A) (resid 108 and name hd1# and segid A) 5.1 3.3 0.2 
assign (resid 108 and name hn and segid A) (resid 103 and name ha and segid A) 3.9 2.1 1.4 
assign (resid 108 and name hn and segid A) (resid 104 and name ha and segid A) 3.6 1.8 1.7                
assign (resid 108 and name hn and segid A) (resid 107 and name ha2 and segid A) 3.6 1.8 1.7           
assign (resid 108 and name hn and segid A) (resid 108 and name ha and segid A) 4.5 2.7 0.8                  
assign (resid 108 and name hn and segid A) (resid 107 and name ha1 and segid A) 4.5 2.7 0.8           
assign (resid 108 and name hn and segid A) (resid 139 and name hd1# and segid A) 5.5 3.7 1.0               
assign (resid 108 and name hn and segid A) (resid 106 and name hn and segid A) 3.8 2.0 1.5
assign (resid 108 and name hn and segid A) (resid 108 and name hd2# and segid A) 5.0 3.2 0.3 
assign (resid 108 and name hn and segid A) (resid 103 and name hd2# and segid A) 5.3 3.5 1.2 
assign (resid 108 and name ha and segid A) (resid 108 and name hd1# and segid A) 5.9 4.1 0.6 
assign (resid 108 and name ha and segid A) (resid 108 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 108 and name ha and segid A) (resid 139 and name hd1# and segid A) 6.0 4.2 0.5   
assign (resid 108 and name ha and segid A) (resid 139 and name hg2# and segid A) 6.0 4.2 0.5      
assign (resid 108 and name hd1# and segid A) (resid 108 and name hd2# and segid A) 4.2 2.4 1.1   
assign (resid 108 and name hd1# and segid A) (resid 108 and name hg and segid A) 4.4 2.6 0.9 
assign (resid 108 and name hd1# and segid A) (resid 108 and name hb2 and segid A) 5.3 3.5 1.2 
assign (resid 108 and name hd1# and segid A) (resid 103 and name hb1 and segid A) 5.8 4.0 0.7 
assign (resid 108 and name hd1# and segid A) (resid 106 and name hb1 and segid A) 5.4 3.6 1.1 
!Ala 109
assign (resid 109 and name hn and segid A) (resid 108 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 109 and name hn and segid A) (resid 104 and name ha and segid A) 3.1 1.3 0.4
assign (resid 109 and name hn and segid A) (resid 108 and name hg and segid A) 3.6 1.8 1.7
assign (resid 109 and name hn and segid A) (resid 109 and name hb# and segid A) 3.8 2.0 1.5 
assign (resid 109 and name hn and segid A) (resid 139 and name hd1# and segid A) 4.7 2.9 0.6
assign (resid 109 and name hn and segid A) (resid 108 and name hd1# and segid A) 6.0 4.2 0.5 
assign (resid 109 and name hn and segid A) (resid 108 and name hd2# and segid A) 5.7 3.9 0.8 
assign (resid 109 and name hn and segid A) (resid 103 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 109 and name hn and segid A) (resid 103 and name ha and segid A) 5.0 3.2 0.3
assign (resid 109 and name hn and segid A) (resid 103 and name hd2# and segid A) 5.9 4.1 0.6
assign (resid 109 and name ha and segid A) (resid 109 and name hb# and segid A) 4.0 2.2 1.3
!Lys 110
assign (resid 110 and name hn and segid A) (resid 139 and name hd1# and segid A) 4.9 3.1 0.4    
assign (resid 110 and name hn and segid A) (resid 110 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 110 and name hn and segid A) (resid 110 and name hg1 and segid A) 3.0 1.2 0.5 
assign (resid 110 and name hn and segid A) (resid 110 and name hb# and segid A) 3.5 1.7 1.8         
assign (resid 110 and name hn and segid A) (resid 109 and name hb# and segid A) 4.2 2.4 1.1  
assign (resid 110 and name hn and segid A) (resid 110 and name ha and segid A) 3.2 1.4 0.3   
!!assign (resid 110 and name hn and segid A) (resid 39 and name ha and segid A) 4.7 2.9 0.6   
assign (resid 110 and name hn and segid A) (resid 109 and name hn and segid A) 4.3 2.6 1.0   
assign (resid 110 and name hn and segid A) (resid 111 and name hn and segid A) 5.3 3.5 1.2  
assign (resid 110 and name ha and segid A) (resid 110 and name hb# and segid A) 3.4 1.6 0.1        
assign (resid 110 and name ha and segid A) (resid 110 and name hd# and segid A) 3.8 2.0 1.5   
assign (resid 110 and name ha and segid A) (resid 110 and name hg1 and segid A) 3.0 1.2 0.5 
assign (resid 110 and name ha and segid A) (resid 139 and name hd1# and segid A) 5.9 4.1 0.6 
assign (resid 110 and name ha and segid A) (resid 109 and name hb# and segid A) 5.4 3.6 1.1 
assign (resid 110 and name ha and segid A) (resid 111 and name hg2# and segid A) 5.4 3.6 1.1 
!Val 111
assign (resid 111 and name hn and segid A) (resid 110 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 111 and name hn and segid A) (resid 111 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 111 and name hn and segid A) (resid 110 and name hb# and segid A) 3.8 2.0 1.5        
assign (resid 111 and name hn and segid A) (resid 111 and name hb and segid A) 2.6 0.8 0.1   
assign (resid 111 and name hn and segid A) (resid 104 and name hg* and segid A) 5.8 4.0 0.7  
assign (resid 111 and name hn and segid A) (resid 111 and name hg* and segid A) 3.9 2.1 1.4  
assign (resid 111 and name hn and segid A) (resid 39 and name ha and segid A) 5.6 3.8 0.9     
assign (resid 111 and name ha and segid A) (resid 111 and name hb and segid A) 2.9 1.1 0.6 
assign (resid 111 and name hn and segid A) (resid 112 and name hn and segid A) 4.7 2.9 0.6   
assign (resid 111 and name hn and segid A) (resid 110 and name hn and segid A) 4.6 2.8 0.7    
assign (resid 111 and name ha and segid A) (resid 111 and name hg* and segid A) 4.6 2.8 0.7 
!Ala 112
assign (resid 112 and name hn and segid A) (resid 39 and name ha and segid A) 2.7 0.9 0.8     
assign (resid 112 and name hn and segid A) (resid 111 and name ha and segid A) 3.0 1.2 0.5   
assign (resid 112 and name hn and segid A) (resid 111 and name hb and segid A) 4.0 2.2 1.3
assign (resid 112 and name hn and segid A) (resid 112 and name hb# and segid A) 3.6 1.8 1.7 
assign (resid 112 and name hn and segid A) (resid 112 and name ha and segid A) 4.2 2.4 1.1   
assign (resid 112 and name hn and segid A) (resid 113 and name hd1 and segid A) 4.8 3.0 0.5
assign (resid 112 and name hn and segid A) (resid 40 and name hn and segid A) 4.2 2.4 1.1 
assign (resid 112 and name hn and segid A) (resid 114 and name hg2# and segid A) 5.5 3.7 1.0  
assign (resid 112 and name hn and segid A) (resid 39 and name hg1# and segid A) 5.4 3.6 1.1  
assign (resid 112 and name hn and segid A) (resid 39 and name hb and segid A) 4.8 3.0 0.5   
assign (resid 112 and name hn and segid A) (resid 38 and name ha and segid A) 4.7 2.9 0.6   
assign (resid 112 and name ha and segid A) (resid 112 and name hb# and segid A) 4.4 2.6 0.9 
!Tyr 113
assign (resid 113 and name hn and segid A) (resid 112 and name ha and segid A) 2.5 0.7 0.2 
assign (resid 113 and name hn and segid A) (resid 113 and name ha and segid A) 2.4 0.6 0.3  
assign (resid 113 and name hn and segid A) (resid 113 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 113 and name hn and segid A) (resid 113 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 113 and name hn and segid A) (resid 114 and name hg2# and segid A) 5.5 3.7 1.0 
assign (resid 113 and name hn and segid A) (resid 112 and name hb# and segid A) 3.7 1.9 1.6  
assign (resid 113 and name hn and segid A) (resid 113 and name hd2 and segid A) 3.6 1.8 1.7 
assign (resid 113 and name hn and segid A) (resid 113 and name he2 and segid A) 5.0 3.2 0.3 
assign (resid 113 and name ha and segid A) (resid 113 and name hb1 and segid A) 2.6 0.8 0.9 
assign (resid 113 and name hd2 and segid A) (resid 113 and name ha and segid A) 2.5 0.7 0.2  
assign (resid 113 and name hd2 and segid A) (resid 115 and name he1 and segid A) 3.6 1.8 1.7 
assign (resid 113 and name hd# and segid A) (resid 113 and name he# and segid A) 2.2 0.4 0.5  
assign (resid 113 and name hd1 and segid A) (resid 112 and name hb# and segid A) 4.9 3.1 0.4 
assign (resid 113 and name hd1 and segid A) (resid 40 and name hb2 and segid A) 3.7 1.9 1.6 
assign (resid 113 and name hd# and segid A) (resid 113 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 113 and name hd# and segid A) (resid 113 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 113 and name he1 and segid A) (resid 40 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 113 and name he1 and segid A) (resid 112 and name hb# and segid A) 5.3 3.5 1.2   
!Val 114
assign (resid 114 and name hn and segid A) (resid 114 and name hg2# and segid A) 3.9 2.1 1.4    
assign (resid 114 and name hn and segid A) (resid 114 and name hg1# and segid A) 4.6 2.8 0.7  
assign (resid 114 and name hn and segid A) (resid 114 and name hb and segid A) 2.4 0.6 0.3  
assign (resid 114 and name hn and segid A) (resid 114 and name ha and segid A) 3.2 1.4 0.3  
assign (resid 114 and name hn and segid A) (resid 113 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 114 and name hn and segid A) (resid 112 and name ha and segid A) 4.0 2.2 1.3  
assign (resid 114 and name hn and segid A) (resid 115 and name hn and segid A) 4.0 2.2 1.3  
assign (resid 114 and name ha and segid A) (resid 114 and name hg2# and segid A) 4.6 2.8 0.7 
assign (resid 114 and name ha and segid A) (resid 114 and name hg1# and segid A) 4.4 2.6 0.9 
assign (resid 114 and name ha and segid A) (resid 114 and name hb and segid A) 2.6 0.8 0.9    
assign (resid 114 and name hg2# and segid A) (resid 114 and name hb and segid A) 4.6 2.8 0.7 
assign (resid 114 and name hg2# and segid A) (resid 111 and name hg1# and segid A) 5.5 3.7 1.0  
!Tyr 115 
assign (resid 115 and name hn and segid A) (resid 114 and name hg2# and segid A) 5.8 4.0 0.7
assign (resid 115 and name hn and segid A) (resid 114 and name hg1# and segid A) 4.8 3.0 0.5   
assign (resid 115 and name hn and segid A) (resid 114 and name hb and segid A) 4.2 2.4 1.1    
assign (resid 115 and name hn and segid A) (resid 115 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 115 and name hn and segid A) (resid 115 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 115 and name hn and segid A) (resid 114 and name ha and segid A) 2.6 0.8 0.9  
assign (resid 115 and name hn and segid A) (resid 115 and name ha and segid A) 3.4 1.6 0.1   
assign (resid 115 and name hn and segid A) (resid 115 and name hd# and segid A) 4.5 2.7 0.8 
assign (resid 115 and name hn and segid A) (resid 116 and name hn and segid A) 4.0 2.2 1.3   
assign (resid 115 and name hn and segid A) (resid 115 and name he# and segid A) 5.5 3.7 1.0
assign (resid 115 and name hn and segid A) (resid 38 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 115 and name hn and segid A) (resid 37 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 115 and name ha and segid A) (resid 115 and name hb1 and segid A) 2.5 0.7 0.2 
assign (resid 115 and name ha and segid A) (resid 115 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 115 and name hd2 and segid A) (resid 115 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 115 and name hd# and segid A) (resid 115 and name he# and segid A) 2.2 0.4 0.5 
assign (resid 115 and name hd# and segid A) (resid 115 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 115 and name hd# and segid A) (resid 115 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 115 and name hd1 and segid A) (resid 113 and name hb1 and segid A) 4.3 2.5 1.0 
assign (resid 115 and name he1 and segid A) (resid 113 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 115 and name he# and segid A) (resid 115 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 115 and name he# and segid A) (resid 113 and name hd2 and segid A) 4.1 2.3 1.2  
assign (resid 115 and name he# and segid A) (resid 113 and name ha and segid A) 4.2 2.4 1.1 
assign (resid 115 and name he1 and segid A) (resid 113 and name hb2 and segid A) 4.6 2.8 0.7 
!Lys 116
assign (resid 116 and name hn and segid A) (resid 115 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 116 and name hn and segid A) (resid 115 and name hd2 and segid A) 3.9 2.1 1.4 
assign (resid 116 and name hn and segid A) (resid 115 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 116 and name hn and segid A) (resid 116 and name hg2 and segid A) 3.0 1.2 0.5 
assign (resid 116 and name hn and segid A) (resid 116 and name hg1 and segid A) 3.4 1.6 0.1 
assign (resid 116 and name hn and segid A) (resid 116 and name hb# and segid A) 3.5 1.7 1.8       
assign (resid 116 and name hn and segid A) (resid 116 and name hd# and segid A) 4.5 2.7 0.8      
assign (resid 116 and name hn and segid A) (resid 116 and name ha and segid A) 3.4 1.6 0.1   
assign (resid 116 and name hn and segid A) (resid 114 and name hg1# and segid A) 6.0 4.2 0.5
assign (resid 116 and name hn and segid A) (resid 114 and name ha and segid A) 5.6 3.8 0.9  
assign (resid 116 and name hn and segid A) (resid 115 and name hb2 and segid A) 4.7 2.9 0.6 
assign (resid 116 and name ha and segid A) (resid 116 and name hb# and segid A) 2.8 1.0 0.7 
!Asn 118
assign (resid 118 and name hn and segid A) (resid 118 and name hb2 and segid A) 2.9 1.1 0.6         
assign (resid 118 and name hn and segid A) (resid 117 and name hd2 and segid A) 2.8 1.0 0.7 
assign (resid 118 and name hn and segid A) (resid 116 and name hg1 and segid A) 6.0 4.2 0.5
assign (resid 118 and name hn and segid A) (resid 116 and name hg2 and segid A) 5.0 3.2 0.3 
assign (resid 118 and name hn and segid A) (resid 116 and name hb# and segid A) 4.7 2.9 0.6        
assign (resid 118 and name hn and segid A) (resid 116 and name ha and segid A) 3.0 1.2 0.5     
assign (resid 118 and name hn and segid A) (resid 118 and name ha and segid A) 3.3 1.5 0.2    
assign (resid 118 and name hn and segid A) (resid 79 and name ha1 and segid A) 4.0 2.2 1.3 
assign (resid 118 and name hn and segid A) (resid 77 and name hb1 and segid A) 5.5 3.7 1.0 
assign (resid 118 and name hn and segid A) (resid 117 and name hd1 and segid A) 5.0 3.2 0.3 
assign (resid 118 and name ha and segid A) (resid 118 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 118 and name ha and segid A) (resid 118 and name hb1 and segid A) 2.6 0.8 0.1 
assign (resid 118 and name ha and segid A) (resid 37 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 118 and name hd22 and segid A) (resid 89 and name hd1# and segid A) 4.5 2.7 0.8 
assign (resid 118 and name hd22 and segid A) (resid 80 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 118 and name hd22 and segid A) (resid 80 and name hb1 and segid A) 4.3 2.5 1.0 
assign (resid 118 and name hd22 and segid A) (resid 80 and name hg# and segid A) 5.0 3.2 0.3    
assign (resid 118 and name hd22 and segid A) (resid 79 and name ha1 and segid A) 3.6 1.8 1.7 
assign (resid 118 and name hd22 and segid A) (resid 118 and name hb2 and segid A) 3.6 1.8 1.7   
assign (resid 118 and name hd22 and segid A) (resid 79 and name hn and segid A) 4.2 2.4 1.1  
assign (resid 118 and name hd22 and segid A) (resid 37 and name hd1# and segid A) 5.7 3.9 0.8   
assign (resid 118 and name hd22 and segid A) (resid 37 and name hd2# and segid A) 5.3 3.5 1.2   
assign (resid 118 and name hd21 and segid A) (resid 89 and name hd1# and segid A) 4.5 2.7 0.8 
assign (resid 118 and name hd21 and segid A) (resid 80 and name hb1 and segid A) 5.5 3.7 1.0 
assign (resid 118 and name hd21 and segid A) (resid 80 and name hb2 and segid A) 5.2 3.4 0.1 
assign (resid 118 and name hd21 and segid A) (resid 80 and name hg# and segid A) 6.0 4.2 0.5  
assign (resid 118 and name hd21 and segid A) (resid 79 and name ha1 and segid A) 4.4 2.6 0.9 
assign (resid 118 and name hd21 and segid A) (resid 118 and name hb2 and segid A) 3.4 1.6 0.1      
assign (resid 118 and name hd21 and segid A) (resid 79 and name hn and segid A) 4.8 3.0 0.5 
assign (resid 118 and name hd21 and segid A) (resid 37 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 118 and name hd21 and segid A) (resid 37 and name hd2# and segid A) 4.0 2.2 1.3  
!Asn 119
assign (resid 119 and name hn and segid A) (resid 118 and name ha and segid A) 2.9 1.1 0.6   
assign (resid 119 and name hn and segid A) (resid 119 and name ha and segid A) 3.4 1.6 0.1    
assign (resid 119 and name hn and segid A) (resid 119 and name hb1 and segid A) 3.4 1.6 0.1 
assign (resid 119 and name hn and segid A) (resid 119 and name hb2 and segid A) 3.9 2.1 1.4 
assign (resid 119 and name hn and segid A) (resid 118 and name hn and segid A) 4.1 2.3 1.2   
assign (resid 119 and name hn and segid A) (resid 78 and name hn and segid A) 4.9 3.1 0.4   
assign (resid 119 and name ha and segid A) (resid 119 and name hb1 and segid A) 3.5 1.7 1.8   
assign (resid 119 and name ha and segid A) (resid 119 and name hb2 and segid A) 3.0 1.2 0.5   
assign (resid 119 and name ha and segid A) (resid 38 and name hd2# and segid A) 5.1 3.3 0.2   
assign (resid 119 and name ha and segid A) (resid 114 and name hg1# and segid A) 5.7 3.9 0.8   
assign (resid 119 and name ha and segid A) (resid 38 and name hd1# and segid A) 5.0 3.2 0.3   
assign (resid 119 and name hd21 and segid A) (resid 119 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 119 and name hd21 and segid A) (resid 119 and name hb2 and segid A) 3.9 2.1 1.4  
assign (resid 119 and name hd21 and segid A) (resid 116 and name hg2 and segid A) 4.1 2.3 1.2
assign (resid 119 and name hd21 and segid A) (resid 114 and name hg1# and segid A) 3.6 1.8 1.7 
assign (resid 119 and name hd22 and segid A) (resid 119 and name hb1 and segid A) 4.2 2.4 1.1 
assign (resid 119 and name hd22 and segid A) (resid 119 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 119 and name hd22 and segid A) (resid 116 and name hg2 and segid A) 5.0 3.2 0.3 
assign (resid 119 and name hd22 and segid A) (resid 116 and name hg1 and segid A) 4.8 3.0 0.5 
assign (resid 119 and name hd22 and segid A) (resid 116 and name hd# and segid A) 3.5 1.7 1.8 
assign (resid 119 and name hd22 and segid A) (resid 114 and name hg1# and segid A) 4.8 3.0 0.5 
!Thr 120
assign (resid 120 and name hn and segid A) (resid 120 and name hg2# and segid A) 4.6 2.8 0.7   
assign (resid 120 and name hn and segid A) (resid 120 and name hb and segid A) 3.5 1.7 1.8     
assign (resid 120 and name hn and segid A) (resid 120 and name ha and segid A) 2.8 1.0 0.7    
assign (resid 120 and name hn and segid A) (resid 119 and name ha and segid A) 3.4 1.6 0.1
assign (resid 120 and name hn and segid A) (resid 121 and name hn and segid A) 3.0 1.2 0.5  
assign (resid 120 and name hn and segid A) (resid 122 and name hn and segid A) 4.5 2.7 0.8    
assign (resid 120 and name hn and segid A) (resid 119 and name hn and segid A) 2.6 0.8 0.1  
assign (resid 120 and name hn and segid A) (resid 91 and name he2 and segid A) 4.3 2.5 1.0  
assign (resid 120 and name hn and segid A) (resid 78 and name hg1 and segid A) 5.7 3.9 0.8 
assign (resid 120 and name ha and segid A) (resid 120 and name hg2# and segid A) 4.1 2.3 1.2  
assign (resid 120 and name hb and segid A) (resid 120 and name hg2# and segid A) 4.1 2.3 1.2 
assign (resid 120 and name hb and segid A) (resid 7 and name hd1# and segid A) 5.0 3.2 0.3 
assign (resid 120 and name hb and segid A) (resid 78 and name hb1 and segid A) 5.7 3.9 0.8 
!His 121
assign (resid 121 and name hn and segid A) (resid 121 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 121 and name hn and segid A) (resid 121 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 121 and name hn and segid A) (resid 120 and name ha and segid A) 3.8 2.0 1.5   
assign (resid 121 and name hn and segid A) (resid 121 and name hb1 and segid A) 3.8 2.0 1.5 
assign (resid 121 and name hn and segid A) (resid 120 and name hb and segid A) 3.4 1.6 0.1   
assign (resid 121 and name hn and segid A) (resid 120 and name hg2# and segid A) 5.0 3.2 0.3   
assign (resid 121 and name hn and segid A) (resid 119 and name ha and segid A) 5.1 3.3 0.2    
assign (resid 121 and name hn and segid A) (resid 91 and name he# and segid A) 4.6 2.8 0.7   
assign (resid 121 and name hn and segid A) (resid 7 and name hd1# and segid A) 5.8 4.0 0.7   
assign (resid 121 and name hn and segid A) (resid 38 and name hd1# and segid A) 4.5 2.7 0.8   
assign (resid 121 and name hn and segid A) (resid 124 and name hb1 and segid A) 6.0 4.2 0.5   
assign (resid 121 and name ha and segid A) (resid 121 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 121 and name ha and segid A) (resid 121 and name hb1 and segid A) 2.3 0.5 0.4 
assign (resid 121 and name ha and segid A) (resid 121 and name hd2 and segid A) 4.5 2.7 0.8   
assign (resid 121 and name ha and segid A) (resid 120 and name hg2# and segid A) 4.8 3.0 0.5  
assign (resid 121 and name ha and segid A) (resid 124 and name hd2# and segid A) 6.0 4.2 0.5  
assign (resid 121 and name ha and segid A) (resid 124 and name hb# and segid A) 5.4 3.6 1.1
assign (resid 121 and name ha and segid A) (resid 120 and name ha and segid A) 3.4 1.6 1.9   
assign (resid 121 and name hd2 and segid A) (resid 121 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 121 and name hd2 and segid A) (resid 121 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 121 and name hd2 and segid A) (resid 98 and name he# and segid A) 3.7 1.9 1.6 
!Glu 122
assign (resid 122 and name hn and segid A) (resid 122 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 122 and name hn and segid A) (resid 119 and name hb2 and segid A) 3.5 1.7 1.8    
assign (resid 122 and name hn and segid A) (resid 122 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 122 and name hn and segid A) (resid 122 and name hb1 and segid A) 2.6 0.8 0.1 
assign (resid 122 and name hn and segid A) (resid 119 and name ha and segid A) 3.6 1.8 1.7   
assign (resid 122 and name hn and segid A) (resid 121 and name ha and segid A) 3.0 1.2 0.5    
assign (resid 122 and name hn and segid A) (resid 121 and name hn and segid A) 3.1 1.3 0.4    
assign (resid 122 and name hn and segid A) (resid 91 and name he1 and segid A) 5.3 3.5 1.2  
assign (resid 122 and name hn and segid A) (resid 123 and name hn and segid A) 2.9 1.1 0.6   
assign (resid 122 and name hn and segid A) (resid 38 and name hd1# and segid A) 4.6 2.8 0.7   
assign (resid 122 and name hn and segid A) (resid 123 and name ha and segid A) 5.6 3.8 0.9   
assign (resid 122 and name ha and segid A) (resid 122 and name hb2 and segid A) 2.6 0.8 0.1
assign (resid 122 and name ha and segid A) (resid 122 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 122 and name ha and segid A) (resid 125 and name hb2 and segid A) 3.0 1.2 0.5      
!Gln 123
assign (resid 123 and name hn and segid A) (resid 122 and name hb2 and segid A) 5.0 3.2 0.3 
assign (resid 123 and name hn and segid A) (resid 124 and name hn and segid A) 2.6 0.8 0.9  
assign (resid 123 and name hn and segid A) (resid 123 and name hb2 and segid A) 2.5 0.7 0.2   
assign (resid 123 and name hn and segid A) (resid 123 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 123 and name hn and segid A) (resid 123 and name hg# and segid A) 3.6 1.8 1.7  
assign (resid 123 and name hn and segid A) (resid 125 and name hn and segid A) 4.0 2.2 1.3   
assign (resid 123 and name hn and segid A) (resid 124 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 123 and name hn and segid A) (resid 121 and name ha and segid A) 4.3 2.5 1.0  
assign (resid 123 and name hn and segid A) (resid 122 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 123 and name ha and segid A) (resid 123 and name hb2 and segid A) 2.7 0.9 0.8  
assign (resid 123 and name ha and segid A) (resid 126 and name hb1 and segid A) 5.0 3.2 0.3        
!Leu 124
assign (resid 124 and name hn and segid A) (resid 123 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 124 and name hn and segid A) (resid 123 and name hg1 and segid A) 5.0 3.2 0.3 
assign (resid 124 and name hn and segid A) (resid 124 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 124 and name hn and segid A) (resid 124 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 124 and name hn and segid A) (resid 124 and name hb2 and segid A) 2.3 0.5 0.4 
assign (resid 124 and name hn and segid A) (resid 123 and name ha and segid A) 3.5 1.7 1.8 
assign (resid 124 and name hn and segid A) (resid 124 and name hd2# and segid A) 4.4 2.6 0.9
assign (resid 124 and name hn and segid A) (resid 124 and name hd1# and segid A) 4.4 2.6 0.9 
assign (resid 124 and name hn and segid A) (resid 124 and name hg and segid A) 3.8 2.0 1.5  
assign (resid 124 and name hn and segid A) (resid 121 and name ha and segid A) 3.9 2.1 1.4
assign (resid 124 and name hn and segid A) (resid 122 and name hn and segid A) 4.3 2.5 1.0  
assign (resid 124 and name hn and segid A) (resid 125 and name hn and segid A) 3.0 1.2 0.5   
assign (resid 124 and name hn and segid A) (resid 126 and name hn and segid A) 5.0 3.2 0.3           
assign (resid 124 and name ha and segid A) (resid 124 and name hb2 and segid A) 2.2 0.4 0.5 
assign (resid 124 and name ha and segid A) (resid 127 and name hb2 and segid A) 5.5 3.7 1.0     
assign (resid 124 and name ha and segid A) (resid 124 and name hd1# and segid A) 4.0 2.2 1.3 
!Leu 125
assign (resid 125 and name hn and segid A) (resid 125 and name ha and segid A) 2.8 1.0 0.7   
assign (resid 125 and name hn and segid A) (resid 125 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 125 and name hn and segid A) (resid 125 and name hg and segid A) 2.6 0.8 0.1
assign (resid 125 and name hn and segid A) (resid 125 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 125 and name hn and segid A) (resid 125 and name hd1# and segid A) 4.4 2.6 0.9 
assign (resid 125 and name hn and segid A) (resid 125 and name hd2# and segid A) 4.1 2.3 1.2  
assign (resid 125 and name hn and segid A) (resid 122 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 125 and name hn and segid A) (resid 126 and name hn and segid A) 2.8 1.0 0.7  
assign (resid 125 and name hn and segid A) (resid 124 and name hb2 and segid A) 4.5 2.7 0.8 
assign (resid 125 and name ha and segid A) (resid 125 and name hd2# and segid A) 4.5 2.7 0.8 
assign (resid 125 and name ha and segid A) (resid 125 and name hd1# and segid A) 4.5 2.7 0.8 
assign (resid 125 and name ha and segid A) (resid 125 and name hb1 and segid A) 2.4 0.6 0.3   
assign (resid 125 and name ha and segid A) (resid 125 and name hg and segid A) 3.4 1.6 0.1  
assign (resid 125 and name ha and segid A) (resid 128 and name hb# and segid A) 4.5 2.7 0.8         
assign (resid 125 and name ha and segid A) (resid 104 and name hg* and segid A) 5.9 4.1 0.6        
!Arg 126
assign (resid 126 and name hn and segid A) (resid 126 and name hb2 and segid A) 2.4 0.6 0.3 
assign (resid 126 and name hn and segid A) (resid 127 and name hn and segid A) 2.7 0.9 0.8 
assign (resid 126 and name hn and segid A) (resid 126 and name ha and segid A) 2.7 0.9 0.8
assign (resid 126 and name hn and segid A) (resid 125 and name ha and segid A) 3.6 1.8 1.7         
assign (resid 126 and name hn and segid A) (resid 126 and name hg# and segid A) 3.8 2.0 1.5
assign (resid 126 and name hn and segid A) (resid 125 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 126 and name hn and segid A) (resid 126 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 126 and name hn and segid A) (resid 122 and name ha and segid A) 4.0 2.2 1.3   
assign (resid 126 and name hn and segid A) (resid 123 and name ha and segid A) 4.0 2.2 1.3          
assign (resid 126 and name hn and segid A) (resid 111 and name hg2# and segid A) 4.9 3.1 0.4 
assign (resid 126 and name hn and segid A) (resid 123 and name hb2 and segid A) 5.3 3.5 1.2   
assign (resid 126 and name ha and segid A) (resid 126 and name hb2 and segid A) 2.8 1.0 0.7    
assign (resid 126 and name ha and segid A) (resid 129 and name hb2 and segid A) 3.5 1.7 1.8 
!Lys 127
assign (resid 127 and name hn and segid A) (resid 128 and name hn and segid A) 2.7 0.9 0.8    
assign (resid 127 and name hn and segid A) (resid 125 and name hn and segid A) 3.8 2.0 1.5 
assign (resid 127 and name hn and segid A) (resid 127 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 127 and name hn and segid A) (resid 127 and name hb2 and segid A) 3.5 1.7 1.8   
assign (resid 127 and name hn and segid A) (resid 126 and name hb2 and segid A) 3.2 1.4 0.3  
assign (resid 127 and name hn and segid A) (resid 126 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 127 and name hn and segid A) (resid 124 and name hd1# and segid A) 6.0 4.2 0.5 
assign (resid 127 and name hn and segid A) (resid 126 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 127 and name hn and segid A) (resid 124 and name ha and segid A) 5.5 3.7 1.0             
assign (resid 127 and name ha and segid A) (resid 127 and name hb2 and segid A) 2.5 0.7 0.2         
assign (resid 127 and name ha and segid A) (resid 130 and name hb# and segid A) 4.7 2.9 0.6 
!Ser 128
assign (resid 128 and name hn and segid A) (resid 127 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 128 and name hn and segid A) (resid 128 and name ha and segid A) 3.3 1.5 0.2  
assign (resid 128 and name hn and segid A) (resid 127 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 128 and name hn and segid A) (resid 128 and name hb1 and segid A) 3.5 1.7 1.8  
assign (resid 128 and name hn and segid A) (resid 127 and name he# and segid A) 3.5 1.7 1.8  
assign (resid 128 and name hn and segid A) (resid 129 and name ha and segid A) 5.3 3.5 1.2
assign (resid 128 and name hn and segid A) (resid 127 and name hg2 and segid A) 4.5 2.7 0.8 
assign (resid 128 and name hn and segid A) (resid 125 and name hd2# and segid A) 5.9 4.1 0.6 
assign (resid 128 and name hn and segid A) (resid 124 and name hd1# and segid A) 5.7 3.9 0.8 
assign (resid 128 and name hn and segid A) (resid 127 and name hg1 and segid A) 3.2 1.4 0.2 
assign (resid 128 and name hn and segid A) (resid 125 and name ha and segid A) 3.5 1.7 1.8  
assign (resid 128 and name hn and segid A) (resid 129 and name hn and segid A) 2.9 1.1 0.6  
assign (resid 128 and name hn and segid A) (resid 126 and name hn and segid A) 4.3 2.5 1.0 
assign (resid 128 and name hn and segid A) (resid 130 and name hn and segid A) 4.5 2.7 0.8             
assign (resid 128 and name hn and segid A) (resid 104 and name hg1# and segid A) 5.8 4.0 0.7         
assign (resid 128 and name hn and segid A) (resid 124 and name ha and segid A) 5.0 3.2 0.3           
assign (resid 128 and name ha and segid A) (resid 128 and name hb1 and segid A) 2.6 0.8 0.1    
assign (resid 128 and name ha and segid A) (resid 131 and name hb1 and segid A) 3.0 1.2 0.5 
!Glu 129
assign (resid 129 and name hn and segid A) (resid 129 and name hb2 and segid A) 2.8 1.0 0.7 
assign (resid 129 and name hn and segid A) (resid 129 and name hb1 and segid A) 3.1 1.3 0.4 
assign (resid 129 and name hn and segid A) (resid 131 and name hn and segid A) 4.3 2.5 1.0    
assign (resid 129 and name hn and segid A) (resid 127 and name hn and segid A) 3.9 2.1 1.4  
assign (resid 129 and name hn and segid A) (resid 127 and name hb1 and segid A) 5.5 3.7 1.0  
assign (resid 129 and name hn and segid A) (resid 129 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 129 and name hn and segid A) (resid 128 and name hb1 and segid A) 4.0 2.2 1.3   
assign (resid 129 and name hn and segid A) (resid 125 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 129 and name hn and segid A) (resid 125 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 129 and name hn and segid A) (resid 111 and name hg2# and segid A) 5.1 3.3 0.2
assign (resid 129 and name hn and segid A) (resid 104 and name hg* and segid A) 4.5 2.7 0.8 
assign (resid 129 and name hn and segid A) (resid 125 and name hb1 and segid A) 4.6 2.8 0.7   
assign (resid 129 and name hn and segid A) (resid 126 and name ha and segid A) 5.0 3.2 0.3               
assign (resid 129 and name ha and segid A) (resid 129 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 129 and name ha and segid A) (resid 132 and name hb# and segid A) 5.0 3.2 0.3  
!Ala 130
assign (resid 130 and name hn and segid A) (resid 131 and name hn and segid A) 2.6 0.8 0.9 
assign (resid 130 and name hn and segid A) (resid 132 and name hn and segid A) 5.0 3.2 0.3           
assign (resid 130 and name hn and segid A) (resid 130 and name ha and segid A) 2.6 0.8 0.9 
assign (resid 130 and name hn and segid A) (resid 130 and name hb# and segid A) 3.5 1.7 1.8 
assign (resid 130 and name hn and segid A) (resid 127 and name ha and segid A) 3.1 1.3 0.4   
assign (resid 130 and name hn and segid A) (resid 129 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 130 and name hn and segid A) (resid 129 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 130 and name hn and segid A) (resid 127 and name hb2 and segid A) 5.3 3.5 1.2   
assign (resid 130 and name hn and segid A) (resid 126 and name ha and segid A) 4.0 2.2 1.3 
assign (resid 130 and name hn and segid A) (resid 129 and name hn and segid A) 2.9 1.1 0.6 
assign (resid 130 and name hn and segid A) (resid 104 and name hg1# and segid A) 6.0 4.2 0.5
assign (resid 130 and name hn and segid A) (resid 133 and name hb2 and segid A) 4.8 3.0 0.5 
assign (resid 130 and name ha and segid A) (resid 130 and name hb# and segid A) 4.0 2.2 1.3  
assign (resid 130 and name ha and segid A) (resid 133 and name hb2 and segid A) 2.9 1.1 0.6 
!Gln 131
assign (resid 131 and name hn and segid A) (resid 131 and name hb2 and segid A) 2.6 0.8 0.1 
assign (resid 131 and name hn and segid A) (resid 131 and name ha and segid A) 2.7 0.9 0.8   
assign (resid 131 and name hn and segid A) (resid 130 and name ha and segid A) 3.1 1.3 0.4  
assign (resid 131 and name hn and segid A) (resid 128 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 131 and name hn and segid A) (resid 130 and name hb# and segid A) 3.8 2.0 1.5 
assign (resid 131 and name hn and segid A) (resid 131 and name hg1 and segid A) 4.0 2.2 1.3
assign (resid 131 and name hn and segid A) (resid 131 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 131 and name hn and segid A) (resid 132 and name hb# and segid A) 4.9 3.1 0.4 
assign (resid 131 and name hn and segid A) (resid 133 and name hb2 and segid A) 4.4 2.6 0.9 
assign (resid 131 and name hn and segid A) (resid 127 and name ha and segid A) 4.1 2.3 1.2   
assign (resid 131 and name hn and segid A) (resid 133 and name hn and segid A) 3.8 2.0 1.5    
assign (resid 131 and name hn and segid A) (resid 132 and name hn and segid A) 2.8 1.0 0.7   
assign (resid 131 and name ha and segid A) (resid 131 and name hb1 and segid A) 3.5 1.7 1.8 
assign (resid 131 and name ha and segid A) (resid 131 and name hg1 and segid A) 2.9 1.1 0.6 
!Ala 132
assign (resid 132 and name hn and segid A) (resid 132 and name hb# and segid A) 3.9 2.1 1.4 
assign (resid 132 and name hn and segid A) (resid 132 and name ha and segid A) 3.0 1.2 0.5  
assign (resid 132 and name hn and segid A) (resid 133 and name hn and segid A) 2.6 0.8 0.9   
assign (resid 132 and name hn and segid A) (resid 133 and name ha and segid A) 5.3 3.5 1.2  
assign (resid 132 and name hn and segid A) (resid 133 and name hb1 and segid A) 5.3 3.5 1.2
assign (resid 132 and name hn and segid A) (resid 128 and name ha and segid A) 4.5 2.7 0.8  
assign (resid 132 and name hn and segid A) (resid 129 and name ha and segid A) 5.0 3.2 0.3            
assign (resid 132 and name hn and segid A) (resid 131 and name hg1 and segid A) 3.5 1.7 1.8  
assign (resid 132 and name hn and segid A) (resid 131 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 132 and name hn and segid A) (resid 131 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 132 and name hn and segid A) (resid 130 and name hb# and segid A) 5.7 3.9 0.8 
assign (resid 132 and name hn and segid A) (resid 105 and name ha and segid A) 4.2 2.4 1.1
!Lys 133
assign (resid 133 and name hn and segid A) (resid 135 and name hn and segid A) 3.5 1.7 1.8  
assign (resid 133 and name hn and segid A) (resid 134 and name hn and segid A) 2.7 0.9 0.8 
assign (resid 133 and name hn and segid A) (resid 131 and name hb2 and segid A) 5.4 3.6 1.1
assign (resid 133 and name hn and segid A) (resid 133 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 133 and name hn and segid A) (resid 132 and name hb# and segid A) 4.0 2.2 1.3
assign (resid 133 and name hn and segid A) (resid 133 and name hd2 and segid A) 5.0 3.2 0.3 
assign (resid 133 and name hn and segid A) (resid 133 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 133 and name hn and segid A) (resid 133 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 133 and name hn and segid A) (resid 133 and name he# and segid A) 4.0 2.2 1.3 
assign (resid 133 and name hn and segid A) (resid 133 and name hg# and segid A) 4.3 2.5 1.0      
assign (resid 133 and name hn and segid A) (resid 130 and name ha and segid A) 3.4 1.6 0.1    
assign (resid 133 and name hn and segid A) (resid 132 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 133 and name hn and segid A) (resid 130 and name hb# and segid A) 5.0 3.2 0.3 
assign (resid 133 and name hn and segid A) (resid 140 and name hb2 and segid A) 5.4 3.6 1.1 
assign (resid 133 and name ha and segid A) (resid 140 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 133 and name ha and segid A) (resid 133 and name hg# and segid A) 2.9 1.1 0.6 
assign (resid 133 and name ha and segid A) (resid 133 and name hd1 and segid A) 3.7 1.9 1.6 
assign (resid 133 and name ha and segid A) (resid 133 and name hb2 and segid A) 2.6 0.8 0.9 
assign (resid 133 and name ha and segid A) (resid 133 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 133 and name hg1 and segid A) (resid 133 and name hd1 and segid A) 2.7 0.9 0.8 
!Lys 134
assign (resid 134 and name hn and segid A) (resid 135 and name hn and segid A) 2.8 1.0 0.7    
assign (resid 134 and name hn and segid A) (resid 136 and name hn and segid A) 5.0 3.2 0.3            
assign (resid 134 and name hn and segid A) (resid 133 and name hb1 and segid A) 2.9 1.1 0.6 
assign (resid 134 and name hn and segid A) (resid 133 and name ha and segid A) 3.6 1.8 1.7  
assign (resid 134 and name hn and segid A) (resid 134 and name hg2 and segid A) 2.7 0.9 0.8    
assign (resid 134 and name hn and segid A) (resid 133 and name hg# and segid A) 4.5 2.7 0.8          
assign (resid 134 and name hn and segid A) (resid 131 and name hn and segid A) 3.8 2.0 1.5    
assign (resid 134 and name hn and segid A) (resid 131 and name ha and segid A) 4.5 2.7 0.8               
assign (resid 134 and name hn and segid A) (resid 133 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 134 and name hn and segid A) (resid 134 and name hb1 and segid A) 2.8 1.0 0.7         
assign (resid 134 and name ha and segid A) (resid 134 and name hd# and segid A) 5.0 3.2 0.3
assign (resid 134 and name ha and segid A) (resid 134 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 134 and name ha and segid A) (resid 133 and name hb1 and segid A) 3.6 1.8 1.7 
!Glu 135
assign (resid 135 and name hn and segid A) (resid 135 and name hb2 and segid A) 2.6 0.8 0.1   
assign (resid 135 and name hn and segid A) (resid 135 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 135 and name hn and segid A) (resid 135 and name hg2 and segid A) 3.5 1.7 1.8 
assign (resid 135 and name hn and segid A) (resid 135 and name hg1 and segid A) 2.7 0.9 0.8 
assign (resid 135 and name hn and segid A) (resid 131 and name hg1 and segid A) 5.4 3.6 1.1  
assign (resid 135 and name hn and segid A) (resid 134 and name ha and segid A) 2.7 0.9 0.8 
assign (resid 135 and name hn and segid A) (resid 135 and name ha and segid A) 3.0 1.2 0.5   
assign (resid 135 and name hn and segid A) (resid 133 and name ha and segid A) 4.3 2.5 1.0   
assign (resid 135 and name hn and segid A) (resid 134 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 135 and name hn and segid A) (resid 136 and name hn and segid A) 2.3 0.5 0.4  
assign (resid 135 and name hn and segid A) (resid 137 and name hn and segid A) 5.3 3.5 1.2             
assign (resid 135 and name hn and segid A) (resid 132 and name ha and segid A) 5.0 3.2 0.3            
!Lys 136
assign (resid 136 and name hn and segid A) (resid 136 and name hb1 and segid A) 3.9 2.1 1.4 
assign (resid 136 and name hn and segid A) (resid 136 and name hb2 and segid A) 3.8 2.0 1.5 
assign (resid 136 and name hn and segid A) (resid 136 and name hg# and segid A) 3.5 1.7 1.8   
assign (resid 136 and name hn and segid A) (resid 135 and name ha and segid A) 3.2 1.4 0.3 
assign (resid 136 and name hn and segid A) (resid 132 and name ha and segid A) 4.0 2.2 1.3  
assign (resid 136 and name hn and segid A) (resid 133 and name ha and segid A) 3.5 1.7 1.8  
assign (resid 136 and name hn and segid A) (resid 136 and name ha and segid A) 2.4 0.6 0.3    
assign (resid 136 and name hn and segid A) (resid 133 and name hb2 and segid A) 5.5 3.7 1.0 
assign (resid 136 and name hn and segid A) (resid 140 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 136 and name hn and segid A) (resid 135 and name hb2 and segid A) 3.7 1.9 1.6 
assign (resid 136 and name hn and segid A) (resid 133 and name hb1 and segid A) 5.1 3.3 0.2 
assign (resid 136 and name ha and segid A) (resid 136 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 136 and name ha and segid A) (resid 136 and name hb1 and segid A) 2.4 0.6 0.3           
assign (resid 136 and name ha and segid A) (resid 140 and name hb2 and segid A) 3.2 1.4 0.3           
!Leu 137
assign (resid 137 and name hn and segid A) (resid 137 and name hb1 and segid A) 3.5 1.7 1.8
assign (resid 137 and name hn and segid A) (resid 137 and name hb2 and segid A) 2.6 0.8 0.1 
assign (resid 137 and name hn and segid A) (resid 137 and name hd2# and segid A) 5.3 3.5 1.2
assign (resid 137 and name hn and segid A) (resid 136 and name ha and segid A) 2.7 0.9 0.8  
assign (resid 137 and name hn and segid A) (resid 137 and name ha and segid A) 3.0 1.2 0.5 
assign (resid 137 and name hn and segid A) (resid 135 and name ha and segid A) 5.0 3.2 0.3   
assign (resid 137 and name hn and segid A) (resid 137 and name hd1# and segid A) 5.0 3.2 1.5 
assign (resid 137 and name hn and segid A) (resid 132 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 137 and name hn and segid A) (resid 140 and name hb2 and segid A) 3.4 1.6 1.9 
assign (resid 137 and name hn and segid A) (resid 136 and name hn and segid A) 2.8 1.0 0.7    
assign (resid 137 and name hn and segid A) (resid 135 and name hb1 and segid A) 4.9 3.1 0.4 
assign (resid 137 and name hn and segid A) (resid 140 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 137 and name hn and segid A) (resid 140 and name hd1 and segid A) 4.0 2.2 1.3 
assign (resid 137 and name hn and segid A) (resid 135 and name hb2 and segid A) 3.7 1.9 1.6 
assign (resid 137 and name hn and segid A) (resid 136 and name hb2 and segid A) 4.5 2.7 0.8 
assign (resid 137 and name hn and segid A) (resid 133 and name ha and segid A) 3.5 1.7 1.8    
assign (resid 137 and name hn and segid A) (resid 107 and name ha2 and segid A) 5.5 3.7 1.0     
assign (resid 137 and name ha and segid A) (resid 137 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 137 and name ha and segid A) (resid 137 and name hb2 and segid A) 4.6 2.8 0.7 
assign (resid 137 and name ha and segid A) (resid 137 and name hd2# and segid A) 4.1 2.3 1.2 
!Asn 138
assign (resid 138 and name hn and segid A) (resid 140 and name hn and segid A) 4.3 2.5 1.0
assign (resid 138 and name hn and segid A) (resid 137 and name ha and segid A) 3.5 1.7 1.8   
assign (resid 138 and name hn and segid A) (resid 54 and name he1 and segid A) 4.6 2.8 0.7 
assign (resid 138 and name hn and segid A) (resid 137 and name hn and segid A) 4.5 2.7 0.8 
assign (resid 138 and name hn and segid A) (resid 141 and name hn and segid A) 4.4 2.6 0.9  
assign (resid 138 and name hn and segid A) (resid 139 and name hn and segid A) 4.4 2.6 0.9 
assign (resid 138 and name hn and segid A) (resid 138 and name ha and segid A) 2.7 0.9 0.8 
assign (resid 138 and name hn and segid A) (resid 138 and name hb2 and segid A) 3.9 2.1 1.4        
assign (resid 138 and name hn and segid A) (resid 137 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 138 and name hn and segid A) (resid 137 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 138 and name hn and segid A) (resid 137 and name hd2# and segid A) 4.4 2.6 0.9 
assign (resid 138 and name hn and segid A) (resid 137 and name hd1# and segid A) 5.5 3.7 1.0 
assign (resid 138 and name ha and segid A) (resid 138 and name hb2 and segid A) 2.7 0.9 0.8      
assign (resid 138 and name hd22 and segid A) (resid 106 and name hb1 and segid A) 4.1 2.3 1.2 
assign (resid 138 and name hd22 and segid A) (resid 106 and name hg1 and segid A) 4.0 2.2 1.3 
assign (resid 138 and name hd22 and segid A) (resid 138 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 138 and name hd22 and segid A) (resid 138 and name hb2 and segid A) 3.5 1.7 1.8 
assign (resid 138 and name hd22 and segid A) (resid 108 and name hg and segid A) 3.9 2.1 1.4  
assign (resid 138 and name hd22 and segid A) (resid 137 and name hb1 and segid A) 4.2 2.4 1.1 
assign (resid 138 and name hd22 and segid A) (resid 137 and name hb2 and segid A) 5.3 3.5 1.2 
assign (resid 138 and name hd22 and segid A) (resid 108 and name hd1# and segid A) 5.2 3.4 0.1  
assign (resid 138 and name hd22 and segid A) (resid 108 and name hd2# and segid A) 5.0 3.2 0.3 
assign (resid 138 and name hd22 and segid A) (resid 137 and name hd2# and segid A) 5.5 3.7 1.0 
assign (resid 138 and name hd22 and segid A) (resid 137 and name hd1# and segid A) 5.8 4.0 0.7 
assign (resid 138 and name hd22 and segid A) (resid 137 and name hg and segid A) 5.0 3.2 0.3 
assign (resid 138 and name hd21 and segid A) (resid 106 and name hb1 and segid A) 3.7 1.9 1.6 
assign (resid 138 and name hd21 and segid A) (resid 138 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 138 and name hd21 and segid A) (resid 138 and name hb2 and segid A) 3.3 1.5 0.2 
assign (resid 138 and name hd21 and segid A) (resid 108 and name hg and segid A) 3.3 1.5 0.2  
assign (resid 138 and name hd21 and segid A) (resid 137 and name hb1 and segid A) 4.0 2.2 1.3 
assign (resid 138 and name hd21 and segid A) (resid 137 and name hb2 and segid A) 5.0 3.2 0.3 
assign (resid 138 and name hd21 and segid A) (resid 108 and name hd1# and segid A) 6.0 4.2 0.5 
assign (resid 138 and name hd21 and segid A) (resid 108 and name hd2# and segid A) 5.1 3.3 0.2 
assign (resid 138 and name hd21 and segid A) (resid 137 and name hd2# and segid A) 6.0 4.2 0.5 
assign (resid 138 and name hd21 and segid A) (resid 137 and name hd1# and segid A) 5.6 3.8 0.9     
!Ile 139
assign (resid 139 and name hn and segid A) (resid 140 and name hn and segid A) 2.9 1.1 0.6    
assign (resid 139 and name hn and segid A) (resid 139 and name ha and segid A) 3.3 1.5 0.2  
assign (resid 139 and name hn and segid A) (resid 139 and name hb and segid A) 2.9 1.1 0.6  
assign (resid 139 and name hn and segid A) (resid 139 and name hg1# and segid A) 2.9 1.1 0.6  
assign (resid 139 and name hn and segid A) (resid 139 and name hg2# and segid A) 4.9 3.1 0.6 
assign (resid 139 and name hn and segid A) (resid 139 and name hd1# and segid A) 5.3 3.5 1.2  
assign (resid 139 and name hn and segid A) (resid 138 and name hb1 and segid A) 3.2 1.4 0.3    
assign (resid 139 and name hn and segid A) (resid 138 and name hb2 and segid A) 3.1 1.3 0.4 
assign (resid 139 and name hn and segid A) (resid 138 and name ha and segid A) 4.6 2.8 0.7   
assign (resid 139 and name hn and segid A) (resid 108 and name hd2# and segid A) 5.4 3.6 1.1  
assign (resid 139 and name ha and segid A) (resid 139 and name hd1# and segid A) 5.1 3.3 0.2 
assign (resid 139 and name ha and segid A) (resid 139 and name hg2# and segid A) 4.7 2.9 0.6  
assign (resid 139 and name ha and segid A) (resid 139 and name hg1# and segid A) 3.1 1.3 0.4    
assign (resid 139 and name ha and segid A) (resid 139 and name hb and segid A) 3.1 1.3 0.4    
assign (resid 139 and name hd1# and segid A) (resid 139 and name hb and segid A) 4.5 2.7 0.8    
assign (resid 139 and name hd1# and segid A) (resid 139 and name hg1# and segid A) 4.4 2.6 0.9   
assign (resid 139 and name hg2# and segid A) (resid 139 and name hb and segid A) 5.5 3.7 1.0 
!Trp 140
assign (resid 140 and name hn and segid A) (resid 139 and name hg2# and segid A) 4.1 2.3 1.2  
assign (resid 140 and name hn and segid A) (resid 139 and name hb and segid A) 3.2 1.4 0.3    
assign (resid 140 and name hn and segid A) (resid 140 and name hb1 and segid A) 3.8 2.0 1.5
assign (resid 140 and name hn and segid A) (resid 140 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 140 and name hn and segid A) (resid 139 and name hg1# and segid A) 3.8 2.0 1.5   
assign (resid 140 and name hn and segid A) (resid 139 and name hd1# and segid A) 5.4 3.6 1.1   
assign (resid 140 and name hn and segid A) (resid 137 and name hb1 and segid A) 4.4 2.6 0.9 
assign (resid 140 and name hn and segid A) (resid 139 and name ha and segid A) 3.7 1.9 1.6    
assign (resid 140 and name hn and segid A) (resid 140 and name ha and segid A) 3.7 1.9 1.6 
assign (resid 140 and name hn and segid A) (resid 140 and name hd1 and segid A) 3.1 1.3 0.4    
assign (resid 140 and name ha and segid A) (resid 133 and name ha and segid A) 3.7 1.9 1.6   
assign (resid 140 and name ha and segid A) (resid 140 and name hb1 and segid A) 2.7 0.9 0.8 
assign (resid 140 and name ha and segid A) (resid 140 and name hb2 and segid A) 3.0 1.2 0.5 
assign (resid 140 and name hd1 and segid A) (resid 137 and name hb1 and segid A) 5.0 3.2 0.3 
assign (resid 140 and name hd1 and segid A) (resid 137 and name hb2 and segid A) 4.0 2.2 1.3 
assign (resid 140 and name hd1 and segid A) (resid 132 and name hb# and segid A) 4.0 2.2 1.3 
assign (resid 140 and name hd1 and segid A) (resid 137 and name hd1# and segid A) 6.0 4.2 0.5  
assign (resid 140 and name hd1 and segid A) (resid 139 and name hd1# and segid A) 4.7 2.9 0.6 
assign (resid 140 and name hd1 and segid A) (resid 140 and name hb1 and segid A) 3.6 1.8 1.7 
assign (resid 140 and name hd1 and segid A) (resid 107 and name ha2 and segid A) 2.9 1.1 0.6      
assign (resid 140 and name hd1 and segid A) (resid 133 and name hg# and segid A) 5.5 3.7 1.0       
assign (resid 140 and name hd1 and segid A) (resid 139 and name hb and segid A) 4.6 2.8 0.7     
assign (resid 140 and name hd1 and segid A) (resid 140 and name hb2 and segid A) 2.7 0.9 0.8 
assign (resid 140 and name hd1 and segid A) (resid 107 and name ha1 and segid A) 3.1 1.3 0.4 
assign (resid 140 and name he3 and segid A) (resid 140 and name ha and segid A) 2.5 0.7 0.2    
assign (resid 140 and name he3 and segid A) (resid 140 and name hz3 and segid A) 2.5 0.7 0.2   
assign (resid 140 and name he3 and segid A) (resid 140 and name hb1 and segid A) 3.0 1.2 0.5 
assign (resid 140 and name he3 and segid A) (resid 140 and name hb2 and segid A) 5.0 3.2 0.3 
assign (resid 140 and name hz2 and segid A) (resid 140 and name hh2 and segid A) 2.6 0.8 0.1  
assign (resid 140 and name hz2 and segid A) (resid 129 and name ha and segid A) 5.3 3.5 1.2   
assign (resid 140 and name hz2 and segid A) (resid 110 and name hg1 and segid A) 3.5 1.7 1.8 
assign (resid 140 and name hz2 and segid A) (resid 110 and name hb1 and segid A) 3.8 2.0 1.5   
assign (resid 140 and name hz2 and segid A) (resid 133 and name hg# and segid A) 4.4 2.6 0.9    
assign (resid 140 and name hz2 and segid A) (resid 139 and name hb and segid A) 5.3 3.5 1.2  
assign (resid 140 and name hz2 and segid A) (resid 110 and name ha and segid A) 2.9 1.1 0.6  
assign (resid 140 and name hz3 and segid A) (resid 140 and name he3 and segid A) 2.4 0.6 0.3
assign (resid 140 and name hh2 and segid A) (resid 140 and name hz2 and segid A) 2.7 0.9 0.8 
assign (resid 140 and name hh2 and segid A) (resid 110 and name hb1 and segid A) 4.6 2.8 0.7      
!Ser 141
assign (resid 141 and name hn and segid A) (resid 140 and name hn and segid A) 2.8 1.0 0.7   
assign (resid 141 and name hn and segid A) (resid 142 and name hb1 and segid A) 6.0 4.2 0.5      
assign (resid 141 and name hn and segid A) (resid 141 and name ha and segid A) 3.3 1.5 0.2   
assign (resid 141 and name hn and segid A) (resid 139 and name ha and segid A) 3.7 1.9 1.6   
assign (resid 141 and name hn and segid A) (resid 140 and name ha and segid A) 4.0 2.2 1.3   
assign (resid 141 and name hn and segid A) (resid 140 and name hb1 and segid A) 4.3 2.5 1.0 
assign (resid 141 and name hn and segid A) (resid 140 and name hb2 and segid A) 4.3 2.5 1.0 
assign (resid 141 and name hn and segid A) (resid 142 and name hg# and segid A) 5.7 3.9 0.8 
assign (resid 141 and name hn and segid A) (resid 139 and name hb and segid A) 4.5 2.7 0.8   
assign (resid 141 and name hn and segid A) (resid 139 and name hg2# and segid A) 5.2 3.4 0.1   
assign (resid 141 and name hn and segid A) (resid 139 and name hn and segid A) 4.5 2.7 0.8  
assign (resid 141 and name hn and segid A) (resid 141 and name hb# and segid A) 4.8 3.0 0.5    
assign (resid 141 and name hn and segid A) (resid 136 and name hb1 and segid A) 5.8 4.0 0.7   
!Glu 142
assign (resid 142 and name hn and segid A) (resid 142 and name hb2 and segid A) 2.7 0.9 0.8       
assign (resid 142 and name hn and segid A) (resid 142 and name hb1 and segid A) 3.5 1.7 1.8     
assign (resid 142 and name hn and segid A) (resid 142 and name hg1 and segid A) 3.0 1.2 0.5          
assign (resid 142 and name hn and segid A) (resid 142 and name hg2 and segid A) 3.2 1.4 0.3    
assign (resid 142 and name hn and segid A) (resid 141 and name hb# and segid A) 3.6 1.8 1.7         
assign (resid 142 and name hn and segid A) (resid 141 and name ha and segid A) 3.1 1.3 0.4            
assign (resid 142 and name hn and segid A) (resid 142 and name ha and segid A) 3.7 1.9 1.6            
assign (resid 142 and name hn and segid A) (resid 143 and name hn and segid A) 3.6 1.8 1.7  
assign (resid 142 and name hn and segid A) (resid 141 and name hn and segid A) 3.5 1.7 1.8  
assign (resid 142 and name ha and segid A) (resid 142 and name hb2 and segid A) 3.1 1.3 0.4     
assign (resid 142 and name ha and segid A) (resid 142 and name hb1 and segid A) 2.8 1.0 0.7  
!Asp 143
assign (resid 143 and name hn and segid A) (resid 143 and name ha and segid A) 3.9 2.1 1.4          
assign (resid 143 and name hn and segid A) (resid 142 and name hb1 and segid A) 3.0 1.2 0.5     
assign (resid 143 and name hn and segid A) (resid 143 and name hb2 and segid A) 2.8 1.0 0.7        
assign (resid 143 and name hn and segid A) (resid 143 and name hb1 and segid A) 3.1 1.3 0.4         
assign (resid 143 and name hn and segid A) (resid 142 and name hb2 and segid A) 3.4 1.6 0.1     
assign (resid 143 and name hn and segid A) (resid 142 and name hg2 and segid A) 4.2 2.4 1.1       
assign (resid 143 and name hn and segid A) (resid 142 and name ha and segid A) 3.8 2.0 1.5            
!hydrogen bonding of H124L
assign (resid 72 and name o and segid A) (resid 12 and name hn and segid A) 1.9 0.4 0.4
assign (resid 13 and name o and segid A) (resid 26 and name hn and segid A) 1.9 0.4 0.4
assign (resid 26 and name o and segid A) (resid 13 and name hn and segid A) 1.9 0.4 0.4
assign (resid 34 and name o and segid A) (resid 23 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 32 and name o and segid A) (resid 25 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 30 and name o and segid A) (resid 27 and name hn and segid A) 1.9 0.4 0.4
assign (resid 27 and name o and segid A) (resid 30 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 25 and name o and segid A) (resid 32 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 23 and name o and segid A) (resid 34 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 88 and name o and segid A) (resid 35 and name hn and segid A) 1.9 0.4 0.4       
assign (resid 38 and name o and segid A) (resid 112 and name hn and segid A) 1.9 0.4 0.4
assign (resid 110 and name o and segid A) (resid 40 and name hn and segid A) 1.9 0.4 0.4
assign (resid 40 and name o and segid A) (resid 110 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 16 and name o and segid A) (resid 24 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 24 and name o and segid A) (resid 16 and name hn and segid A) 1.9 0.4 0.4 
assign (resid 81 and name o and segid A) (resid 89 and name hn and segid A) 1.9 0.4 0.4    
assign (resid 87 and name o and segid A) (resid 83 and name hn and segid A) 1.9 0.4 0.4       
assign (resid 74 and name o and segid A) (resid 10 and name hn and segid A) 1.9 0.4 0.4
assign (resid 10 and name o and segid A) (resid 74 and name hn and segid A) 1.9 0.4 0.4
assign (resid 73 and name o and segid A) (resid 93 and name hn and segid A) 1.9 0.4 0.4
assign (resid 93 and name o and segid A) (resid 73 and name hn and segid A) 1.9 0.4 0.4
assign (resid 91 and name o and segid A) (resid 75 and name hn and segid A) 1.9 0.4 0.4
assign (resid 75 and name o and segid A) (resid 91 and name hn and segid A) 1.9 0.4 0.4
assign (resid 97 and name o and segid A) (resid 94 and name hn and segid A) 1.9 0.4 0.4
assign (resid 94 and name o and segid A) (resid 97 and name hn and segid A) 1.9 0.4 0.4
assign (resid 92 and name o and segid A) (resid 99 and name hn and segid A) 1.9 0.4 0.4
assign (resid 57 and name o and segid A) (resid 61 and name hn and segid A) 1.9 0.4 0.4
assign (resid 58 and name o and segid A) (resid 62 and name hn and segid A) 1.9 0.4 0.4
assign (resid 59 and name o and segid A) (resid 63 and name hn and segid A) 1.9 0.4 0.4
assign (resid 60 and name o and segid A) (resid 64 and name hn and segid A) 1.9 0.4 0.4
assign (resid 61 and name o and segid A) (resid 65 and name hn and segid A) 1.9 0.4 0.4
assign (resid 62 and name o and segid A) (resid 66 and name hn and segid A) 1.9 0.4 0.4
assign (resid 63 and name o and segid A) (resid 67 and name hn and segid A) 1.9 0.4 0.4
assign (resid 64 and name o and segid A) (resid 68 and name hn and segid A) 1.9 0.4 0.4
assign (resid 65 and name o and segid A) (resid 69 and name hn and segid A) 1.9 0.4 0.4
assign (resid 98 and name o and segid A) (resid 102 and name hn and segid A) 1.9 0.4 0.4
assign (resid 99 and name o and segid A) (resid 103 and name hn and segid A) 1.9 0.4 0.4
assign (resid 100 and name o and segid A) (resid 104 and name hn and segid A) 1.9 0.4 0.4
assign (resid 101 and name o and segid A) (resid 105 and name hn and segid A) 1.9 0.4 0.4
assign (resid 102 and name o and segid A) (resid 106 and name hn and segid A) 1.9 0.4 0.4
assign (resid 122 and name o and segid A) (resid 126 and name hn and segid A) 1.9 0.4 0.4
assign (resid 124 and name o and segid A) (resid 128 and name hn and segid A) 1.9 0.4 0.4
assign (resid 123 and name o and segid A) (resid 127 and name hn and segid A) 1.9 0.4 0.4
assign (resid 130 and name o and segid A) (resid 134 and name hn and segid A) 1.9 0.4 0.4
assign (resid 131 and name o and segid A) (resid 135 and name hn and segid A) 1.9 0.4 0.4
assign (resid 132 and name o and segid A) (resid 136 and name hn and segid A) 1.9 0.4 0.4
assign (resid 125 and name o and segid A) (resid 129 and name hn and segid A) 1.9 0.4 0.4
assign (resid 126 and name o and segid A) (resid 130 and name hn and segid A) 1.9 0.4 0.4
assign (resid 127 and name o and segid A) (resid 131 and name hn and segid A) 1.9 0.4 0.4
assign (resid 128 and name o and segid A) (resid 132 and name hn and segid A) 1.9 0.4 0.4
assign (resid 129 and name o and segid A) (resid 133 and name hn and segid A) 1.9 0.4 0.4
assign (resid 33 and name o and segid A) (resid 88 and name hn and segid A) 1.9 0.4 0.4      
assign (resid 83 and name o and segid A) (resid 86 and name hn and segid A) 1.9 0.4 0.4   
assign (resid 119 and name o and segid A) (resid 122 and name hn and segid A) 1.9 0.4 0.4   
assign (resid 22 and name o and segid A) (resid 18 and name hn and segid A) 1.9 0.4 0.4      
assign (resid 22 and name o and segid A) (resid 19 and name hn and segid A) 1.9 0.4 0.4        
assign (resid 118 and name od1 and segid A) (resid 79 and name hn and segid A) 1.9 0.4 0.4       
assign (resid 72 and name o and segid A) (resid 12 and name n and segid A) 2.9 0.5 0.4
assign (resid 13 and name o and segid A) (resid 26 and name n and segid A) 2.9 0.5 0.4
assign (resid 26 and name o and segid A) (resid 13 and name n and segid A) 2.9 0.5 0.4
assign (resid 34 and name o and segid A) (resid 23 and name n and segid A) 2.9 0.5 0.4
assign (resid 32 and name o and segid A) (resid 25 and name n and segid A) 2.9 0.5 0.4
assign (resid 30 and name o and segid A) (resid 27 and name n and segid A) 2.9 0.5 0.4
assign (resid 27 and name o and segid A) (resid 30 and name n and segid A) 2.9 0.5 0.4
assign (resid 25 and name o and segid A) (resid 32 and name n and segid A) 2.9 0.5 0.4
assign (resid 23 and name o and segid A) (resid 34 and name n and segid A) 2.9 0.5 0.4
assign (resid 88 and name o and segid A) (resid 35 and name n and segid A) 2.9 0.5 0.4    
assign (resid 38 and name o and segid A) (resid 112 and name n and segid A) 2.9 0.5 0.4 
assign (resid 110 and name o and segid A) (resid 40 and name n and segid A) 2.9 0.5 0.4
assign (resid 40 and name o and segid A) (resid 110 and name n and segid A) 2.9 0.5 0.4 
assign (resid 16 and name o and segid A) (resid 24 and name n and segid A) 2.9 0.5 0.4
assign (resid 24 and name o and segid A) (resid 16 and name n and segid A) 2.9 0.5 0.4
assign (resid 81 and name o and segid A) (resid 89 and name n and segid A) 2.9 0.5 0.4   
assign (resid 87 and name o and segid A) (resid 83 and name n and segid A) 2.9 0.5 0.4     
assign (resid 74 and name o and segid A) (resid 10 and name n and segid A) 2.9 0.5 0.4
assign (resid 10 and name o and segid A) (resid 74 and name n and segid A) 2.9 0.5 0.4
assign (resid 73 and name o and segid A) (resid 93 and name n and segid A) 2.9 0.5 0.4
assign (resid 93 and name o and segid A) (resid 73 and name n and segid A) 2.9 0.5 0.4
assign (resid 91 and name o and segid A) (resid 75 and name n and segid A) 2.9 0.5 0.4
assign (resid 75 and name o and segid A) (resid 91 and name n and segid A) 2.9 0.5 0.4
assign (resid 97 and name o and segid A) (resid 94 and name n and segid A) 2.9 0.5 0.4
assign (resid 94 and name o and segid A) (resid 97 and name n and segid A) 2.9 0.5 0.4
assign (resid 92 and name o and segid A) (resid 99 and name n and segid A) 2.9 0.5 0.4
assign (resid 57 and name o and segid A) (resid 61 and name n and segid A) 2.9 0.5 0.4
assign (resid 58 and name o and segid A) (resid 62 and name n and segid A) 2.9 0.5 0.4
assign (resid 59 and name o and segid A) (resid 63 and name n and segid A) 2.9 0.5 0.4
assign (resid 60 and name o and segid A) (resid 64 and name n and segid A) 2.9 0.5 0.4
assign (resid 61 and name o and segid A) (resid 65 and name n and segid A) 2.9 0.5 0.4
assign (resid 62 and name o and segid A) (resid 66 and name n and segid A) 2.9 0.5 0.4
assign (resid 63 and name o and segid A) (resid 67 and name n and segid A) 2.9 0.5 0.4
assign (resid 64 and name o and segid A) (resid 68 and name n and segid A) 2.9 0.5 0.4
assign (resid 65 and name o and segid A) (resid 69 and name n and segid A) 2.9 0.5 0.4
assign (resid 98 and name o and segid A) (resid 102 and name n and segid A) 2.9 0.5 0.4
assign (resid 99 and name o and segid A) (resid 103 and name n and segid A) 2.9 0.5 0.4
assign (resid 100 and name o and segid A) (resid 104 and name n and segid A) 2.9 0.5 0.4
assign (resid 101 and name o and segid A) (resid 105 and name n and segid A) 2.9 0.5 0.4
assign (resid 102 and name o and segid A) (resid 106 and name n and segid A) 2.9 0.5 0.4
assign (resid 122 and name o and segid A) (resid 126 and name n and segid A) 2.9 0.5 0.4
assign (resid 124 and name o and segid A) (resid 128 and name n and segid A) 2.9 0.5 0.4
assign (resid 123 and name o and segid A) (resid 127 and name n and segid A) 2.9 0.5 0.4
assign (resid 130 and name o and segid A) (resid 134 and name n and segid A) 2.9 0.5 0.4
assign (resid 131 and name o and segid A) (resid 135 and name n and segid A) 2.9 0.5 0.4
assign (resid 132 and name o and segid A) (resid 136 and name n and segid A) 2.9 0.5 0.4
assign (resid 125 and name o and segid A) (resid 129 and name n and segid A) 2.9 0.5 0.4
assign (resid 126 and name o and segid A) (resid 130 and name n and segid A) 2.9 0.5 0.4
assign (resid 127 and name o and segid A) (resid 131 and name n and segid A) 2.9 0.5 0.4
assign (resid 128 and name o and segid A) (resid 132 and name n and segid A) 2.9 0.5 0.4
assign (resid 129 and name o and segid A) (resid 133 and name n and segid A) 2.9 0.5 0.4
assign (resid 33 and name o and segid A) (resid 88 and name n and segid A) 2.9 0.5 0.4          
assign (resid 83 and name o and segid A) (resid 86 and name n and segid A) 2.9 0.5 0.4          
assign (resid 119 and name o and segid A) (resid 122 and name n and segid A) 2.9 0.5 0.4        
assign (resid 22 and name o and segid A) (resid 18 and name n and segid A) 2.9 0.5 0.4          
assign (resid 22 and name o and segid A) (resid 19 and name n and segid A) 2.9 0.5 0.4          
assign (resid 118 and name od1 and segid A) (resid 79 and name n and segid A) 2.9 0.5 0.4        
!distance constraints of pdTp (range from 1.8 to:2.7, 3.5, 5.3, 6.5)
!get from NMR and x-ray data 
!h2''=h2'1, h2'=h2'2, h5'=h5'1, h5''=h5'2
assign (resid 1 and name h2'' and segid B) (resid 1 and name h3' and segid B) 2.5 0.7 0.2
assign (resid 1 and name h2' and segid B) (resid 1 and name h3' and segid B) 2.72 0.92 0.78
assign (resid 1 and name h5' and segid B) (resid 1 and name h3' and segid B) 2.95 1.15 0.55
assign (resid 1 and name h5'' and segid B) (resid 1 and name h3' and segid B) 2.45 0.65 0.25
assign (resid 1 and name h5' and segid B) (resid 1 and name h2'' and segid B) 2.49 0.69 0.21
assign (resid 1 and name h5'' and segid B) (resid 1 and name h2'' and segid B) 3.54 1.74 1.76
assign (resid 1 and name h5' and segid B) (resid 1 and name h2' and segid B) 3.97 2.17 1.33
assign (resid 1 and name h5'' and segid B) (resid 1 and name h2' and segid B) 4.61 2.81 0.69
assign (resid 1 and name h4' and segid B) (resid 1 and name h3' and segid B) 2.67 0.87 0.03
assign (resid 1 and name h4' and segid B) (resid 1 and name h2'' and segid B) 3.86 2.06 1.44
assign (resid 1 and name h4' and segid B) (resid 1 and name h2' and segid B) 4.17 2.37 1.13
assign (resid 1 and name h1' and segid B) (resid 1 and name h3' and segid B) 3.84 2.04 1.46
assign (resid 1 and name h4' and segid B) (resid 1 and name h1' and segid B) 3.63 1.83 1.67
assign (resid 1 and name h2' and segid B) (resid 1 and name h1' and segid B) 2.31 0.51 1.19
assign (resid 1 and name h2'' and segid B) (resid 1 and name h1' and segid B) 2.99 1.19 0.51
assign (resid 1 and name h1' and segid B) (resid 1 and name h6 and segid B) 3.75 1.95 1.55
assign (resid 1 and name h2'' and segid B) (resid 1 and name h6 and segid B) 2.92 1.12 0.58
assign (resid 1 and name h2' and segid B) (resid 1 and name h6 and segid B) 4.24 2.44 1.06
assign (resid 1 and name h4' and segid B) (resid 1 and name h6 and segid B) 3.99 2.19 1.31
assign (resid 1 and name h3' and segid B) (resid 1 and name h6 and segid B) 4.44 2.64 0.86
assign (resid 1 and name h5' and segid B) (resid 1 and name h6 and segid B) 2.07 0.27 0.63
assign (resid 1 and name h5'' and segid B) (resid 1 and name h6 and segid B) 3.78 1.98 1.52
assign (resid 1 and name h5' and segid B) (resid 1 and name h4' and segid B) 2.98 1.18 0.52
assign (resid 1 and name h5'' and segid B) (resid 1 and name h4' and segid B) 2.41 0.61 0.29
assign (resid 1 and name h5' and segid B) (resid 1 and name h1' and segid B) 4.22 2.42 1.08
assign (resid 1 and name h5'' and segid B) (resid 1 and name h1' and segid B) 5.01 3.21 0.29
assign (resid 1 and name h5# and segid B) (resid 1 and name h6 and segid B) 3.0 1.2 0.5
!distance constraints between H124L and pdtp
assign (resid 85 and name hd1 and segid A) (resid 1 and name h1' and segid B) 3.80 2.00 1.50
assign (resid 85 and name he1 and segid A) (resid 1 and name h1' and segid B) 3.50 1.70 1.80
assign (resid 85 and name hd1 and segid A) (resid 1 and name h4' and segid B) 3.90 2.10 1.40
assign (resid 85 and name he1 and segid A) (resid 1 and name h4' and segid B) 3.00 1.20 0.50
assign (resid 85 and name he1 and segid A) (resid 1 and name h5'# and segid B) 5.66 3.86 0.84
assign (resid 113 and name he2 and segid A) (resid 1 and name h3' and segid B) 3.77 1.97 1.53
assign (resid 113 and name he2 and segid A) (resid 1 and name h2' and segid B) 2.84 1.04 0.66 
assign (resid 113 and name he2 and segid A) (resid 1 and name h2'' and segid B) 3.67 1.87 1.63  
assign (resid 113 and name he2 and segid A) (resid 1 and name h1' and segid B) 5.80 4.00 0.70
assign (resid 113 and name hd# and segid A) (resid 1 and name h5# and segid B) 6.00 4.20 0.50
assign (resid 113 and name he1 and segid A) (resid 1 and name h5# and segid B) 5.70 3.90 0.80
assign (resid 115 and name he1 and segid A) (resid 1 and name h5# and segid B) 5.00 3.20 0.30
assign (resid 35 and name hd1 and segid A) (resid 1 and name h6 and segid B) 5.50 3.70 1.00
!hydrogen bonds between H124L and pdtp
assign (resid 85 and name oh and segid A) (resid 1 and name o3b and segid B) 2.9 0.5 0.4
assign (resid 84 and name nz and segid A) (resid 1 and name o3a and segid B) 2.9 0.5 0.4
assign (resid 87 and name nh2 and segid A) (resid 1 and name o5' and segid B) 2.9 0.5 0.4
assign (resid 87 and name nh1 and segid A) (resid 1 and name o5a and segid B) 2.9 0.5 0.4
assign (resid 35 and name ne and segid A) (resid 1 and name o5a and segid B) 2.9 0.5 0.4
assign (resid 35 and name nh2 and segid A) (resid 1 and name o5c and segid B) 2.9 0.5 0.4


!h124lcs_dihe.tbl
!Phi restraints : minimum deviation = 30 degree
restraints dihedral
reset
!His8
assign (resid 7 and name c  and segid A) (resid 8  and name n  and segid A)
       (resid 8 and name ca  and segid A) (resid 8 and name c  and segid A) 1.0 -140 30 2
!Lys9
assign (resid 8 and name c  and segid A) (resid 9 and name n  and segid A)
       (resid 9 and name ca  and segid A) (resid 9 and name c  and segid A) 1.0 -85 30 2
!Glu10
assign (resid 9 and name c  and segid A) (resid 10 and name n  and segid A)
       (resid 10 and name ca  and segid A) (resid 10 and name c  and segid A) 1.0 -135 30 2
!Ala12
assign (resid 11 and name c  and segid A) (resid 12 and name n  and segid A)
       (resid 12 and name ca  and segid A) (resid 12 and name c  and segid A) 1.0 -140 35 2
!Thr13
assign (resid 12 and name c  and segid A) (resid 13 and name n  and segid A)
       (resid 13 and name ca  and segid A) (resid 13 and name c  and segid A) 1.0 -105 30 2
!Leu14
assign (resid 13 and name c  and segid A) (resid 14  and name n  and segid A)
       (resid 14 and name ca  and segid A) (resid 14  and name c  and segid A) 1.0 -60 30 2
!Ile15
assign (resid 14 and name c  and segid A) (resid 15 and name n  and segid A)
       (resid 15 and name ca  and segid A) (resid 15 and name c  and segid A) 1.0 -105 30 2
!Lys16
assign (resid 15 and name c  and segid A) (resid 16 and name n  and segid A)
       (resid 16 and name ca  and segid A) (resid 16 and name c  and segid A) 1.0 -140 45 2
!Ala17
assign (resid 16 and name c  and segid A) (resid 17 and name n  and segid A)
       (resid 17 and name ca  and segid A) (resid 17 and name c  and segid A) 1.0 -85 30 2
!Ile18
assign (resid 17 and name c  and segid A) (resid 18 and name n  and segid A)
       (resid 18 and name ca  and segid A) (resid 18 and name c  and segid A) 1.0 -95 30 2
!Asp19
assign (resid 18 and name c  and segid A) (resid 19 and name n  and segid A)
       (resid 19 and name ca  and segid A) (resid 19 and name c  and segid A) 1.0 -140 35 2
!Gly20
assign (resid 19 and name c  and segid A) (resid 20 and name n  and segid A) 
       (resid 20 and name ca  and segid A) (resid 20 and name c  and segid A) 1.0 -60 30 2 
!Asp21
assign (resid 20 and name c  and segid A) (resid 21 and name n  and segid A)
       (resid 21 and name ca  and segid A) (resid 21 and name c  and segid A) 1.0 -120 30 2  
!Thr22
assign (resid 21 and name c  and segid A) (resid 22 and name n  and segid A)
       (resid 22 and name ca  and segid A) (resid 22 and name c  and segid A) 1.0 -140 30 2 
!Val23
assign (resid 22 and name c  and segid A) (resid 23 and name n  and segid A)
       (resid 23 and name ca  and segid A) (resid 23 and name c  and segid A) 1.0 -140 30 2
!Lys24
assign (resid 23 and name c  and segid A) (resid 24 and name n  and segid A)
       (resid 24 and name ca  and segid A) (resid 24 and name c  and segid A) 1.0 -95 30 2
!Leu25
assign (resid 24 and name c  and segid A) (resid 25 and name n  and segid A)
       (resid 25 and name ca  and segid A) (resid 25 and name c  and segid A) 1.0 -120 30 2
!Met26
assign (resid 25 and name c  and segid A) (resid 26 and name n  and segid A)
       (resid 26 and name ca  and segid A) (resid 26 and name c  and segid A) 1.0 -100 30 2
!Tyr27
assign (resid 26 and name c  and segid A) (resid 27 and name n  and segid A)
       (resid 27 and name ca  and segid A) (resid 27 and name c  and segid A) 1.0 -135 30 2
!Lys28
assign (resid 27 and name c  and segid A) (resid 28 and name n  and segid A)
       (resid 28 and name ca  and segid A) (resid 28 and name c  and segid A) 1.0 60 30 2
!Gly29
assign (resid 28 and name c  and segid A) (resid 29 and name n  and segid A)
       (resid 29 and name ca  and segid A) (resid 29 and name c  and segid A) 1.0 75 30 2
!Gln30
assign (resid 29 and name c  and segid A) (resid 30 and name n  and segid A)
       (resid 30 and name ca  and segid A) (resid 30 and name c  and segid A) 1.0 -120 30 2
!Met32
assign (resid 31 and name c  and segid A) (resid 32 and name n  and segid A)
       (resid 32 and name ca  and segid A) (resid 32 and name c  and segid A) 1.0 -140 30 2
!Thr33
assign (resid 32 and name c  and segid A) (resid 33 and name n  and segid A)
       (resid 33 and name ca  and segid A) (resid 33 and name c  and segid A) 1.0 -95 30 2
!Phe34
assign (resid 33 and name c  and segid A) (resid 34 and name n  and segid A)
       (resid 34 and name ca  and segid A) (resid 34 and name c  and segid A) 1.0 -120 45 2
!Arg35
assign (resid 34 and name c  and segid A) (resid 35 and name n  and segid A)
       (resid 35 and name ca  and segid A) (resid 35 and name c  and segid A) 1.0 -100 30 2 
!Leu36
assign (resid 35 and name c  and segid A) (resid 36 and name n  and segid A)
       (resid 36 and name ca  and segid A) (resid 36 and name c  and segid A) 1.0 -60 30 2 
!Leu37
assign (resid 36 and name c  and segid A) (resid 37 and name n  and segid A)
       (resid 37 and name ca  and segid A) (resid 37 and name c  and segid A) 1.0 -60 30 2  
!Leu38
assign (resid 37 and name c  and segid A) (resid 38 and name n  and segid A)
       (resid 38 and name ca  and segid A) (resid 38 and name c  and segid A) 1.0 60 30 2
!Val39
assign (resid 38 and name c  and segid A) (resid 39 and name n  and segid A)
       (resid 39 and name ca  and segid A) (resid 39 and name c  and segid A) 1.0 -120 45 2
!Asp40
assign (resid 39 and name c  and segid A) (resid 40 and name n  and segid A)
       (resid 40 and name ca  and segid A) (resid 40 and name c  and segid A) 1.0 -135 35 2
!Lys45
assign (resid 44 and name c  and segid A) (resid 45 and name n  and segid A)
       (resid 45 and name ca  and segid A) (resid 45 and name c  and segid A) 1.0 -90 30 2
!Gly50
assign (resid 49 and name c  and segid A) (resid 50 and name n  and segid A)
       (resid 50 and name ca  and segid A) (resid 50 and name c  and segid A) 1.0 60 30 2
!Val51
assign (resid 50 and name c  and segid A) (resid 51 and name n  and segid A)
       (resid 51 and name ca  and segid A) (resid 51 and name c  and segid A) 1.0 -120 45 2
!Gly55
assign (resid 54 and name c  and segid A) (resid 55 and name n  and segid A)
       (resid 55 and name ca  and segid A) (resid 55 and name c  and segid A) 1.0 -60 30 2
!Ala58
assign (resid 57 and name c  and segid A) (resid 58 and name n  and segid A)
       (resid 58 and name ca  and segid A) (resid 58 and name c  and segid A) 1.0 -60 30 2
!Ser59
assign (resid 58  and name c  and segid A) (resid 59  and name n  and segid A)
       (resid 59  and name ca  and segid A) (resid 59  and name c  and segid A) 1.0 -60 30 2
!Ala60
assign (resid 59 and name c  and segid A) (resid 60 and name n  and segid A)
       (resid 60 and name ca  and segid A) (resid 60 and name c  and segid A) 1.0 -70 30 2
!Phe61
assign (resid 60  and name c  and segid A) (resid 61  and name n  and segid A)
       (resid 61  and name ca  and segid A) (resid 61  and name c  and segid A) 1.0 -60 30 2
!The62
assign (resid 61  and name c  and segid A) (resid 62  and name n  and segid A)
       (resid 62  and name ca  and segid A) (resid 62  and name c  and segid A) 1.0 -60 30 2
!Lys63
assign (resid 62  and name c  and segid A) (resid 63  and name n  and segid A)
       (resid 63  and name ca  and segid A) (resid 63  and name c  and segid A) 1.0 -60 30 2
!Lys64
assign (resid 63  and name c  and segid A) (resid 64  and name n  and segid A)
       (resid 64  and name ca  and segid A) (resid 64  and name c  and segid A) 1.0 -60 30 2
!Met65
assign (resid 64  and name c  and segid A) (resid 65  and name n  and segid A)
       (resid 65  and name ca  and segid A) (resid 65  and name c  and segid A) 1.0 -60 30 2
!Val66
assign (resid 65 and name c  and segid A) (resid 66 and name n  and segid A)
       (resid 66 and name ca  and segid A) (resid 66 and name c  and segid A) 1.0 -85 30 2
!Glu67
assign (resid 66  and name c  and segid A) (resid 67  and name n  and segid A)
       (resid 67  and name ca  and segid A) (resid 67  and name c  and segid A) 1.0 -60 30 2
!Asn68
assign (resid 67 and name c  and segid A) (resid 68 and name n  and segid A)
       (resid 68 and name ca  and segid A) (resid 68 and name c  and segid A) 1.0 -85 30 2
!Ala69
assign (resid 68 and name c  and segid A) (resid 69 and name n  and segid A)
       (resid 69 and name ca  and segid A) (resid 69 and name c  and segid A) 1.0 -75 30 2
!Lus70
assign (resid 69 and name c  and segid A) (resid 70 and name n  and segid A)
       (resid 70 and name ca  and segid A) (resid 70 and name c  and segid A) 1.0 -95 30 2
!Lys71
assign (resid 70 and name c  and segid A) (resid 71 and name n  and segid A)
       (resid 71 and name ca  and segid A) (resid 71 and name c  and segid A) 1.0 -120 30 2
!Ile72
assign (resid 71 and name c  and segid A) (resid 72 and name n  and segid A)
       (resid 72 and name ca  and segid A) (resid 72 and name c  and segid A) 1.0 -120 35 2
!Glu73
assign (resid 72 and name c  and segid A) (resid 73 and name n  and segid A)
       (resid 73 and name ca  and segid A) (resid 73 and name c  and segid A) 1.0 -105 30 2
!Val74
assign (resid 73 and name c  and segid A) (resid 74 and name n  and segid A)
       (resid 74 and name ca  and segid A) (resid 74 and name c  and segid A) 1.0 -110 30 2
!Glu75
assign (resid 74 and name c  and segid A) (resid 75 and name n  and segid A)
       (resid 75 and name ca  and segid A) (resid 75 and name c  and segid A) 1.0 -135 30 2
!Phe76
assign (resid 75 and name c  and segid A) (resid 76 and name n  and segid A)
       (resid 76 and name ca  and segid A) (resid 76 and name c  and segid A) 1.0 -90 40 2
!Asp77
assign (resid 76 and name c  and segid A) (resid 77 and name n  and segid A)
       (resid 77 and name ca  and segid A) (resid 77 and name c  and segid A) 1.0 -115 45 2
!Lys78
assign (resid 77  and name c  and segid A) (resid 78  and name n  and segid A)
       (resid 78  and name ca  and segid A) (resid 78  and name c  and segid A) 1.0 -60 40 2
!Gly79
assign (resid 78 and name c  and segid A) (resid 79 and name n  and segid A)
       (resid 79 and name ca  and segid A) (resid 79 and name c  and segid A) 1.0 -100 30 2
!Gln80
assign (resid 79  and name c  and segid A) (resid 80  and name n  and segid A)
       (resid 80  and name ca  and segid A) (resid 80  and name c  and segid A) 1.0 -60 30 2
!Arg81
assign (resid 80 and name c  and segid A) (resid 81 and name n  and segid A)
       (resid 81 and name ca  and segid A) (resid 81 and name c  and segid A) 1.0 -85 45 2
!Thr82
assign (resid 81 and name c  and segid A) (resid 82 and name n  and segid A)
       (resid 82 and name ca  and segid A) (resid 82 and name c  and segid A) 1.0 -120 35 2
!Asp83
assign (resid 82 and name c  and segid A) (resid 83 and name n  and segid A)
       (resid 83 and name ca  and segid A) (resid 83 and name c  and segid A) 1.0 -100 30 2
!Lys84
assign (resid 83 and name c  and segid A) (resid 84 and name n  and segid A)
       (resid 84 and name ca  and segid A) (resid 84 and name c  and segid A) 1.0 -60 30 2
!Tyr85
assign (resid 84 and name c  and segid A) (resid 85 and name n  and segid A)
       (resid 85 and name ca  and segid A) (resid 85 and name c  and segid A) 1.0 -100 45 2     
!Gly86
assign (resid 85  and name c  and segid A) (resid 86  and name n  and segid A)
       (resid 86  and name ca  and segid A) (resid 86  and name c  and segid A) 1.0 60 30 2 
!Arg87
assign (resid 86 and name c  and segid A) (resid 87 and name n  and segid A)
       (resid 87 and name ca  and segid A) (resid 87 and name c  and segid A) 1.0 -90 30 2
!Gly88
assign (resid 87  and name c  and segid A) (resid 88  and name n  and segid A)
       (resid 88  and name ca  and segid A) (resid 88  and name c  and segid A) 1.0 -60 30 2 
!Leu89
assign (resid 88 and name c  and segid A) (resid 89 and name n  and segid A)
       (resid 89 and name ca  and segid A) (resid 89 and name c  and segid A) 1.0 -95 45 2
!Ala90
assign (resid 89 and name c  and segid A) (resid 90 and name n  and segid A)
       (resid 90 and name ca  and segid A) (resid 90 and name c  and segid A) 1.0 -140 30 2
!Tyr91
assign (resid 90 and name c  and segid A) (resid 91 and name n  and segid A)
       (resid 91 and name ca  and segid A) (resid 91 and name c  and segid A) 1.0 -100 30 2
!Ile92
assign (resid 91 and name c  and segid A) (resid 92 and name n  and segid A)
       (resid 92 and name ca  and segid A) (resid 92 and name c  and segid A) 1.0 -120 45 2
!Tyr93
assign (resid 92 and name c  and segid A) (resid 93 and name n  and segid A)
       (resid 93 and name ca  and segid A) (resid 93 and name c  and segid A) 1.0 -120 40 2
!Ala94
assign (resid 93 and name c  and segid A) (resid 94 and name n  and segid A)
       (resid 94 and name ca  and segid A) (resid 94 and name c  and segid A) 1.0 -120 40 2  
!Asp95
assign (resid 94 and name c  and segid A) (resid 95 and name n  and segid A)
       (resid 95 and name ca  and segid A) (resid 95 and name c  and segid A) 1.0 55 30 2     
!Gly96
assign (resid 95 and name c  and segid A) (resid 96 and name n  and segid A)
       (resid 96 and name ca  and segid A) (resid 96 and name c  and segid A) 1.0 80 30 2
!Lys97
assign (resid 96 and name c  and segid A) (resid 97 and name n  and segid A)
       (resid 97 and name ca  and segid A) (resid 97 and name c  and segid A) 1.0 -100 30 2
!Met98
assign (resid 97  and name c  and segid A) (resid 98  and name n  and segid A)
       (resid 98  and name ca  and segid A) (resid 98  and name c  and segid A) 1.0 -60 30 2 
!Val99
assign (resid 98  and name c  and segid A) (resid 99  and name n  and segid A)
       (resid 99  and name ca  and segid A) (resid 99  and name c  and segid A) 1.0 -60 30 2 
!Asn100
assign (resid 99  and name c  and segid A) (resid 100  and name n  and segid A)
       (resid 100  and name ca  and segid A) (resid 100  and name c  and segid A) 1.0 -60 30 2 
!Glu101
assign (resid 100 and name c  and segid A) (resid 101 and name n  and segid A)
       (resid 101 and name ca  and segid A) (resid 101 and name c  and segid A) 1.0 -70 35 2
!Ala102
assign (resid 101  and name c  and segid A) (resid 102  and name n  and segid A)
       (resid 102  and name ca  and segid A) (resid 102  and name c  and segid A) 1.0 -60 30 2
!Leu103
assign (resid 102  and name c  and segid A) (resid 103  and name n  and segid A)
       (resid 103  and name ca  and segid A) (resid 103  and name c  and segid A) 1.0 -60 30 2
!Val104
assign (resid 103  and name c  and segid A) (resid 104  and name n  and segid A)
       (resid 104  and name ca  and segid A) (resid 104  and name c  and segid A) 1.0 -60 30 2 
!Arg105
assign (resid 104  and name c  and segid A) (resid 105  and name n  and segid A)
       (resid 105  and name ca and segid A) (resid 105 and name c and segid A) 1.0 -60 30 2 
!Gln106
assign (resid 105 and name c  and segid A) (resid 106 and name n  and segid A)
       (resid 106 and name ca  and segid A) (resid 106 and name c  and segid A) 1.0 -90 30 2
!Gly107
assign (resid 106 and name c and segid A) (resid 107 and name n and segid A)
       (resid 107 and name ca and segid A) (resid 107 and name c and segid A) 1.0 60 30 2
!Leu108
assign (resid 107 and name c  and segid A) (resid 108 and name n  and segid A)
       (resid 108 and name ca  and segid A) (resid 108 and name c  and segid A) 1.0 -85 35 2
!Ala109
assign (resid 108 and name c  and segid A) (resid 109 and name n  and segid A)
       (resid 109 and name ca  and segid A) (resid 109 and name c  and segid A) 1.0 -140 45 2
!Val111
assign (resid 110 and name c  and segid A) (resid 111 and name n  and segid A)
       (resid 111 and name ca  and segid A) (resid 111 and name c  and segid A) 1.0 -80 30 2
!Ala112
assign (resid 111 and name c  and segid A) (resid 112 and name n  and segid A)
       (resid 112 and name ca  and segid A) (resid 112 and name c  and segid A) 1.0 -140 45 2
!Tyr113
assign (resid 112 and name c  and segid A) (resid 113 and name n  and segid A)
       (resid 113 and name ca  and segid A) (resid 113 and name c  and segid A) 1.0 60 30 2
!Val114
assign (resid 113 and name c  and segid A) (resid 114 and name n  and segid A)
       (resid 114 and name ca  and segid A) (resid 114 and name c  and segid A) 1.0 -85 35 2
!Tyr115
assign (resid 114 and name c  and segid A) (resid 115 and name n  and segid A)
       (resid 115 and name ca  and segid A) (resid 115 and name c  and segid A) 1.0 -120 30 2
!Lys116
assign (resid 115 and name c  and segid A) (resid 116 and name n  and segid A)
       (resid 116 and name ca  and segid A) (resid 116 and name c  and segid A) 1.0 -60 30 2
!Asn118
assign (resid 117 and name c  and segid A) (resid 118 and name n  and segid A)
       (resid 118 and name ca  and segid A) (resid 118 and name c  and segid A) 1.0 -90 35 2  
!Asn119
assign (resid 118 and name c  and segid A) (resid 119 and name n  and segid A)
       (resid 119 and name ca  and segid A) (resid 119 and name c  and segid A) 1.0 -130 35 2 
!Thr120
assign (resid 119 and name c  and segid A) (resid 120 and name n  and segid A)
       (resid 120 and name ca  and segid A) (resid 120 and name c  and segid A) 1.0 -60 30 2
!His121
assign (resid 120 and name c  and segid A) (resid 121 and name n  and segid A)
       (resid 121 and name ca  and segid A) (resid 121 and name c  and segid A) 1.0 -110 30 2
!Glu122
assign (resid 121 and name c and segid A) (resid 122 and name n and segid A)
       (resid 122 and name ca and segid A) (resid 122 and name c and segid A) 1.0 -60 30 2
!Gln123
assign (resid 122 and name c and segid A) (resid 123 and name n and segid A)
       (resid 123 and name ca and segid A) (resid 123 and name c and segid A) 1.0 -60 30 2
!Leu124
assign (resid 123 and name c and segid A) (resid 124 and name n and segid A)
       (resid 124 and name ca and segid A) (resid 124 and name c and segid A) 1.0 -60 30 2
!Leu125
assign (resid 124 and name c and segid A) (resid 125 and name n and segid A)
       (resid 125 and name ca and segid A) (resid 125 and name c and segid A) 1.0 -60 30 2
!Arg126
assign (resid 125 and name c and segid A) (resid 126 and name n and segid A)
       (resid 126 and name ca and segid A) (resid 126 and name c and segid A) 1.0 -60 30 2
!Lys127
assign (resid 126 and name c  and segid A) (resid 127 and name n  and segid A)
       (resid 127 and name ca  and segid A) (resid 127 and name c  and segid A) 1.0 -60 30 2
!Ser128
assign (resid 127 and name c and segid A) (resid 128 and name n and segid A)
       (resid 128 and name ca and segid A) (resid 128 and name c and segid A) 1.0 -60 30 2
!Glu129
assign (resid 128 and name c and segid A) (resid 129 and name n and segid A)
       (resid 129 and name ca and segid A) (resid 129 and name c and segid A) 1.0 -60 30 2
!Ala130
assign (resid 129 and name c and segid A) (resid 130 and name n and segid A)
       (resid 130 and name ca and segid A) (resid 130 and name c and segid A) 1.0 -60 30 2
!Gln131
assign (resid 130 and name c  and segid A) (resid 131 and name n  and segid A)
       (resid 131 and name ca  and segid A) (resid 131 and name c  and segid A) 1.0 -75 35 2
!Ala132
assign (resid 131 and name c and segid A) (resid 132 and name n and segid A)
       (resid 132 and name ca and segid A) (resid 132 and name c and segid A) 1.0 -60 30 2
!Lys133 
assign (resid 132 and name c and segid A) (resid 133 and name n and segid A)
       (resid 133 and name ca and segid A) (resid 133 and name c and segid A) 1.0 -60 30 2
!Lys134
assign (resid 133 and name c and segid A) (resid 134 and name n and segid A)
       (resid 134 and name ca and segid A) (resid 134 and name c and segid A) 1.0 -60 30 2
!Glu135
assign (resid 134 and name c  and segid A) (resid 135 and name n  and segid A)
       (resid 135 and name ca  and segid A) (resid 135 and name c  and segid A) 1.0 -85 30 2
!Lys136
assign (resid 135 and name c  and segid A) (resid 136 and name n  and segid A)
       (resid 136 and name ca  and segid A) (resid 136 and name c  and segid A) 1.0 55 30 2
!Leu137
assign (resid 136 and name c  and segid A) (resid 137 and name n  and segid A)
       (resid 137 and name ca  and segid A) (resid 137 and name c  and segid A) 1.0 -85 30 2  
!Asn138
assign (resid 137 and name c  and segid A) (resid 138 and name n  and segid A)
       (resid 138 and name ca  and segid A) (resid 138 and name c  and segid A) 1.0 50 25 2
!Ile139
assign (resid 138 and name c  and segid A) (resid 139 and name n  and segid A)
       (resid 139 and name ca  and segid A) (resid 139 and name c  and segid A) 1.0 -60 30 2
!Trp140
assign (resid 139 and name c  and segid A) (resid 140 and name n  and segid A)
       (resid 140 and name ca  and segid A) (resid 140 and name c  and segid A) 1.0 -95 30 2
!Ser141
assign (resid 140 and name c  and segid A) (resid 141 and name n  and segid A)
       (resid 141 and name ca  and segid A) (resid 141 and name c  and segid A) 1.0 -80 30 2
!Glu142
assign (resid 141 and name c  and segid A) (resid 142 and name n  and segid A)
       (resid 142 and name ca  and segid A) (resid 142 and name c  and segid A) 1.0 -90 30 2
!Chi restraints :
!Lys24
assign (resid 24 and name n and segid A) (resid 24 and name ca and segid A)
       (resid 24 and name cb and segid A) (resid 24 and name cg and segid A) 1.0 -50 30 2
!Leu25
assign (resid 25 and name n and segid A) (resid 25 and name ca and segid A)
       (resid 25 and name cb and segid A) (resid 25 and name cg and segid A) 1.0 -55 25 2
!Met26
assign (resid 26 and name n and segid A) (resid 26 and name ca and segid A)
       (resid 26 and name cb and segid A) (resid 26 and name cg and segid A) 1.0 -175 30 2
!Tyr27
assign (resid 27 and name n and segid A) (resid 27 and name ca and segid A)
       (resid 27 and name cb and segid A) (resid 27 and name cg and segid A) 1.0 175 30 2
!Lys28
assign (resid 28 and name n and segid A) (resid 28 and name ca and segid A)
       (resid 28 and name cb and segid A) (resid 28 and name cg and segid A) 1.0 -80 25 2
!Phe34
assign (resid 34 and name n and segid A) (resid 34 and name ca and segid A)
       (resid 34 and name cb and segid A) (resid 34 and name cg and segid A) 1.0 -85 25 2
!Phe61
assign (resid 61 and name n and segid A) (resid 61 and name ca and segid A)
       (resid 61 and name cb and segid A) (resid 61 and name cg and segid A) 1.0 -175 30 2
!Phe76
assign (resid 76 and name n and segid A) (resid 76 and name ca and segid A)
       (resid 76 and name cb and segid A) (resid 76 and name cg and segid A) 1.0 -70 25 2
!Tyr85
assign (resid 85 and name n and segid A) (resid 85 and name ca and segid A)
       (resid 85 and name cb and segid A) (resid 85 and name cg and segid A) 1.0 -70 25 2
!Leu89
assign (resid 89 and name n and segid A) (resid 89 and name ca and segid A)
       (resid 89 and name cb and segid A) (resid 89 and name cg and segid A) 1.0 -70 25 2
!Tyr93
assign (resid 93 and name n and segid A) (resid 93 and name ca and segid A)
       (resid 93 and name cb and segid A) (resid 93 and name cg and segid A) 1.0 -70 25 2
!Asp95
assign (resid 95 and name n and segid A) (resid 95 and name ca and segid A)
       (resid 95 and name cb and segid A) (resid 95 and name cg and segid A) 1.0 -75 25 2
!Asn100
assign (resid 100 and name n and segid A) (resid 100 and name ca and segid A)
       (resid 100 and name cb and segid A) (resid 100 and name cg and segid A) 1.0 -40 20 2
!Glu101
assign (resid 101 and name n and segid A) (resid 101 and name ca and segid A)
       (resid 101 and name cb and segid A) (resid 101 and name cg and segid A) 1.0 -175 30 2
!Leu103
assign (resid 103 and name n and segid A) (resid 103 and name ca and segid A)
       (resid 103 and name cb and segid A) (resid 103 and name cg and segid A) 1.0 -76 25 2
!Tyr115
assign (resid 115 and name n and segid A) (resid 115 and name ca and segid A)
       (resid 115 and name cb and segid A) (resid 115 and name cg and segid A) 1.0 -60 25 2
!Asn118
assign (resid 118 and name n and segid A) (resid 118 and name ca and segid A)
       (resid 118 and name cb and segid A) (resid 118 and name cg and segid A) 1.0 -90 25 2
!His121
assign (resid 121 and name n and segid A) (resid 121 and name ca and segid A)
       (resid 121 and name cb and segid A) (resid 121 and name cg and segid A) 1.0 -60 25 2
!Glu122
assign (resid 122 and name n and segid A) (resid 122 and name ca and segid A)
       (resid 122 and name cb and segid A) (resid 122 and name cg and segid A) 1.0 180 30 2
!Trp140
assign (resid 140 and name n and segid A) (resid 140 and name ca and segid A)
       (resid 140 and name cb and segid A) (resid 140 and name cg and segid A) 1.0 -60 20 2
!dihedral angle restraints for sugar pucker
!get from X-ray data
!h2''=h2'1, h2'=h2'2, h5'=h5'1, h5''=h5'2
assign (resid 1 and name h1' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2'' and segid B) 1.0 147.73 25 2
assign (resid 1 and name h1' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2' and segid B) 1.0 27.73 25 2
assign (resid 1 and name h2'' and segid B) (resid 1 and name c2' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name h3' and segid B) 1.0 -42.53 25 2
assign (resid 1 and name h2' and segid B) (resid 1 and name c2' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name h3' and segid B) 1.0 79.60 25 2
assign (resid 1 and name h3' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name h4' and segid B) 1.0 -87.97 25 2
assign (resid 1 and name h4' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c5' and segid B) (resid 1 and name h5' and segid B) 1.0 -173.97 25 2
assign (resid 1 and name h4' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c5' and segid B) (resid 1 and name h5'' and segid B) 1.0 66.03 25 2
assign (resid 1 and name c6 and segid B) (resid 1 and name n1 and segid B)
       (resid 1 and name c1' and segid B) (resid 1 and name c2' and segid B) 1.0 -73.63 25 2
assign (resid 1 and name c6 and segid B) (resid 1 and name n1 and segid B)
       (resid 1 and name c1' and segid B) (resid 1 and name o4' and segid B) 1.0 39.97 25 2
assign (resid 1 and name p5 and segid B) (resid 1 and name o5' and segid B)
       (resid 1 and name c5' and segid B) (resid 1 and name h5' and segid B) 1.0 -107.79 25 2
assign (resid 1 and name p5 and segid B) (resid 1 and name o5' and segid B)
       (resid 1 and name c5' and segid B) (resid 1 and name h5'' and segid B) 1.0 20.86 25 2
assign (resid 1 and name p3 and segid B) (resid 1 and name o3' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name h3' and segid B) 1.0 28.82 25 2
assign (resid 1 and name p3 and segid B) (resid 1 and name o3' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name c2' and segid B) 1.0 153.52 25 2
assign (resid 1 and name p3 and segid B) (resid 1 and name o3' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name c4' and segid B) 1.0 -92.37 25 2
assign (resid 1 and name h5' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B) 1.0 -51.69 25 2
assign (resid 1 and name h5'' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B) 1.0 -171.7 25 2
assign (resid 1 and name h5'' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name c3' and segid B) 1.0 -54.45 25 2
assign (resid 1 and name h5' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name c3' and segid B) 1.0 65.6 25 2
assign (resid 1 and name c1' and segid B) (resid 1 and name c2' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name c4' and segid B) 1.0 -34.9 25 2 
assign (resid 1 and name c5' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name c2' and segid B) 1.0 -87.3 25 2 
assign (resid 1 and name c1' and segid B) (resid 1 and name o4' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name c5' and segid B) 1.0 106.4 25 2 
assign (resid 1 and name o4' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name c3' and segid B) 1.0 35.3 25 2
assign (resid 1 and name c2' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B) 1.0 33.2 25 2
assign (resid 1 and name c3' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name o4' and segid B) (resid 1 and name c1' and segid B) 1.0 -11.2 25 2
assign (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B)
       (resid 1 and name c1' and segid B) (resid 1 and name c2' and segid B) 1.0 -16.3 25 2
assign (resid 1 and name c5' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name o3' and segid B) 1.0 150.1 25 2
assign (resid 1 and name o4' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name o3' and segid B) 1.0 -89.4 25 2
assign (resid 1 and name c1' and segid B) (resid 1 and name c2' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name o3' and segid B) 1.0 76.0 25 2
assign (resid 1 and name o4' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name h3' and segid B) 1.0 152.6 25 2
assign (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B)
       (resid 1 and name c1' and segid B) (resid 1 and name h1' and segid B) 1.0 104.2 25 2
assign (resid 1 and name c1' and segid B) (resid 1 and name o4' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name h4' and segid B) 1.0 -127.2 25 2
assign (resid 1 and name p5 and segid B) (resid 1 and name o5' and segid B)
       (resid 1 and name c5' and segid B) (resid 1 and name c4' and segid B) 1.0 136.5 25 2
assign (resid 1 and name o4' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name n1 and segid B) (resid 1 and name c2 and segid B) 1.0 -151.8 25 2
assign (resid 1 and name o5' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name o4' and segid B) 1.0 68.3 25 2
assign (resid 1 and name o5' and segid B) (resid 1 and name c5' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name c3' and segid B) 1.0 -174.4 25 2
assign (resid 1 and name o4' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2'' and segid B) 1.0 -84.7 25 2
assign (resid 1 and name o4' and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2' and segid B) 1.0 155.3 25 2
assign (resid 1 and name c4' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2' and segid B) 1.0 -160.4 25 2
assign (resid 1 and name c4' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2'' and segid B) 1.0 77.5 25 2
assign (resid 1 and name o3' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2' and segid B) 1.0 -43.0 25 2
assign (resid 1 and name o3' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2'' and segid B) 1.0 -165.1 25 2
assign (resid 1 and name n1 and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2'' and segid B) 1.0 27.4 25 2
assign (resid 1 and name n1 and segid B) (resid 1 and name c1' and segid B)
       (resid 1 and name c2' and segid B) (resid 1 and name h2' and segid B) 1.0 -92.6 25 2
assign (resid 1 and name c2' and segid B) (resid 1 and name c3' and segid B)
       (resid 1 and name c4' and segid B) (resid 1 and name h4' and segid B) 1.0 152.7 25 2
assign (resid 1 and name c5' and segid B) (resid 1 and name c4' and segid B)
       (resid 1 and name c3' and segid B) (resid 1 and name h3' and segid B) 1.0 32.0 25 2
end

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          HT1       ALA   1 138.251  -3.940 -16.028
    2   2H    ALA   1          HT2       ALA   1 138.462  -3.184 -17.535
    3   3H    ALA   1          HT3       ALA   1 139.414  -4.527 -17.115
    4    HA   ALA   1           HA       ALA   1 137.639  -6.016 -17.308
    5   1HB   ALA   1          HB1       ALA   1 136.030  -4.512 -16.101
    6   2HB   ALA   1          HB2       ALA   1 135.330  -5.290 -17.521
    7   3HB   ALA   1          HB3       ALA   1 135.829  -3.600 -17.597
    8    H    THR   2           HN       THR   2 139.145  -6.096 -19.199
    9    HA   THR   2           HA       THR   2 138.673  -4.522 -21.556
   10    HB   THR   2           HB       THR   2 140.785  -5.727 -21.205
   11    HG1  THR   2           HG1      THR   2 140.631  -5.539 -23.301
   12   1HG2  THR   2          HG21      THR   2 139.539  -7.703 -20.101
   13   2HG2  THR   2          HG22      THR   2 140.937  -8.080 -21.106
   14   3HG2  THR   2          HG23      THR   2 139.308  -8.299 -21.744
   15    H    SER   3           HN       SER   3 137.158  -7.381 -20.249
   16    HA   SER   3           HA       SER   3 135.339  -7.395 -22.616
   17   1HB   SER   3          HB2       SER   3 136.906  -9.309 -22.783
   18   2HB   SER   3          HB1       SER   3 136.407  -9.847 -21.182
   19    HG   SER   3           HG       SER   3 134.844 -10.822 -22.179
   20    H    THR   4           HN       THR   4 133.243  -8.583 -22.049
   21    HA   THR   4           HA       THR   4 132.399  -7.700 -19.345
   22    HB   THR   4           HB       THR   4 130.099  -8.492 -20.425
   23    HG1  THR   4           HG1      THR   4 130.205  -8.176 -22.683
   24   1HG2  THR   4          HG21      THR   4 129.686  -6.262 -20.794
   25   2HG2  THR   4          HG22      THR   4 131.191  -6.022 -21.681
   26   3HG2  THR   4          HG23      THR   4 131.210  -6.106 -19.920
   27    H    LYS   5           HN       LYS   5 131.704  -9.149 -17.777
   28    HA   LYS   5           HA       LYS   5 131.597 -12.032 -18.542
   29   1HB   LYS   5          HB2       LYS   5 133.668 -10.875 -17.072
   30   2HB   LYS   5          HB1       LYS   5 132.627 -11.602 -15.848
   31   1HG   LYS   5          HG2       LYS   5 133.929 -13.436 -16.394
   32   2HG   LYS   5          HG1       LYS   5 132.621 -13.636 -17.561
   33   1HD   LYS   5          HD2       LYS   5 133.912 -12.886 -19.345
   34   2HD   LYS   5          HD1       LYS   5 134.991 -11.954 -18.305
   35   1HE   LYS   5          HE2       LYS   5 135.736 -14.221 -17.339
   36   2HE   LYS   5          HE1       LYS   5 134.930 -14.943 -18.731
   37   1HZ   LYS   5          HZ1       LYS   5 136.873 -12.752 -19.079
   38   2HZ   LYS   5          HZ2       LYS   5 136.375 -13.924 -20.203
   39   3HZ   LYS   5          HZ3       LYS   5 137.401 -14.355 -18.919
   40    H    LYS   6           HN       LYS   6 131.297 -10.371 -15.399
   41    HA   LYS   6           HA       LYS   6 128.565 -11.551 -15.190
   42   1HB   LYS   6          HB2       LYS   6 130.570 -10.650 -13.111
   43   2HB   LYS   6          HB1       LYS   6 128.891 -11.014 -12.710
   44   1HG   LYS   6          HG2       LYS   6 129.506 -13.176 -12.534
   45   2HG   LYS   6          HG1       LYS   6 129.715 -13.173 -14.286
   46   1HD   LYS   6          HD2       LYS   6 132.036 -12.665 -14.112
   47   2HD   LYS   6          HD1       LYS   6 131.890 -12.240 -12.406
   48   1HE   LYS   6          HE2       LYS   6 131.667 -14.476 -11.734
   49   2HE   LYS   6          HE1       LYS   6 131.168 -15.008 -13.340
   50   1HZ   LYS   6          HZ1       LYS   6 133.875 -14.004 -12.646
   51   2HZ   LYS   6          HZ2       LYS   6 133.382 -14.609 -14.155
   52   3HZ   LYS   6          HZ3       LYS   6 133.460 -15.640 -12.808
   53    H    LEU   7           HN       LEU   7 129.559  -8.922 -13.120
   54    HA   LEU   7           HA       LEU   7 127.421  -7.260 -14.347
   55   1HB   LEU   7          HB2       LEU   7 128.903  -6.783 -11.747
   56   2HB   LEU   7          HB1       LEU   7 127.406  -6.017 -12.278
   57    HG   LEU   7           HG       LEU   7 127.832  -8.898 -11.464
   58   1HD1  LEU   7          HD11      LEU   7 127.337  -7.314  -9.662
   59   2HD1  LEU   7          HD12      LEU   7 125.940  -8.354  -9.939
   60   3HD1  LEU   7          HD13      LEU   7 125.946  -6.701 -10.556
   61   1HD2  LEU   7          HD21      LEU   7 125.421  -7.659 -12.833
   62   2HD2  LEU   7          HD22      LEU   7 125.495  -9.293 -12.175
   63   3HD2  LEU   7          HD23      LEU   7 126.507  -8.849 -13.549
   64    H    HIS   8           HN       HIS   8 128.260  -4.733 -13.590
   65    HA   HIS   8           HA       HIS   8 130.871  -4.417 -15.014
   66   1HB   HIS   8          HB2       HIS   8 128.674  -3.788 -16.293
   67   2HB   HIS   8          HB1       HIS   8 128.674  -2.373 -15.240
   68    HD1  HIS   8           HD1      HIS   8 129.439  -0.575 -16.846
   69    HD2  HIS   8           HD2      HIS   8 131.927  -3.919 -16.914
   70    HE1  HIS   8           HE1      HIS   8 131.434   0.045 -18.277
   71    H    LYS   9           HN       LYS   9 131.950  -4.157 -12.984
   72    HA   LYS   9           HA       LYS   9 131.050  -2.261 -10.996
   73   1HB   LYS   9          HB2       LYS   9 133.503  -3.893 -11.469
   74   2HB   LYS   9          HB1       LYS   9 133.652  -2.497 -10.400
   75   1HG   LYS   9          HG2       LYS   9 131.232  -3.828  -9.714
   76   2HG   LYS   9          HG1       LYS   9 132.491  -5.058  -9.828
   77   1HD   LYS   9          HD2       LYS   9 133.875  -3.191  -8.487
   78   2HD   LYS   9          HD1       LYS   9 132.253  -2.759  -7.946
   79   1HE   LYS   9          HE2       LYS   9 133.046  -4.368  -6.371
   80   2HE   LYS   9          HE1       LYS   9 131.921  -5.237  -7.414
   81   1HZ   LYS   9          HZ1       LYS   9 133.980  -5.787  -8.786
   82   2HZ   LYS   9          HZ2       LYS   9 133.778  -6.605  -7.311
   83   3HZ   LYS   9          HZ3       LYS   9 134.873  -5.311  -7.425
   84    H    GLU  10           HN       GLU  10 131.567  -0.101 -10.782
   85    HA   GLU  10           HA       GLU  10 133.595   1.075 -12.603
   86   1HB   GLU  10          HB2       GLU  10 130.665   1.492 -12.740
   87   2HB   GLU  10          HB1       GLU  10 131.635   2.964 -12.774
   88   1HG   GLU  10          HG2       GLU  10 133.038   1.370 -14.497
   89   2HG   GLU  10          HG1       GLU  10 131.386   0.829 -14.798
   90    HA   PRO  11           HA       PRO  11 134.335   3.722  -9.154
   91   1HB   PRO  11          HB2       PRO  11 135.169   5.999 -10.409
   92   2HB   PRO  11          HB1       PRO  11 136.137   4.517 -10.353
   93   1HG   PRO  11          HG2       PRO  11 134.595   5.675 -12.620
   94   2HG   PRO  11          HG1       PRO  11 136.043   4.656 -12.648
   95   1HD   PRO  11          HD2       PRO  11 133.395   3.790 -13.131
   96   2HD   PRO  11          HD1       PRO  11 134.800   2.745 -12.832
   97    H    ALA  12           HN       ALA  12 133.696   5.852  -8.154
   98    HA   ALA  12           HA       ALA  12 131.435   7.282  -9.362
   99   1HB   ALA  12          HB1       ALA  12 130.853   5.045  -7.807
  100   2HB   ALA  12          HB2       ALA  12 129.739   6.358  -8.185
  101   3HB   ALA  12          HB3       ALA  12 130.668   6.393  -6.686
  102    H    THR  13           HN       THR  13 130.819   9.172  -8.018
  103    HA   THR  13           HA       THR  13 132.952   9.881  -6.040
  104    HB   THR  13           HB       THR  13 131.661  11.997  -7.722
  105    HG1  THR  13           HG1      THR  13 133.928  10.516  -8.537
  106   1HG2  THR  13          HG21      THR  13 134.445  12.332  -7.406
  107   2HG2  THR  13          HG22      THR  13 133.847  11.733  -5.859
  108   3HG2  THR  13          HG23      THR  13 133.162  13.199  -6.561
  109    H    LEU  14           HN       LEU  14 131.949  10.001  -4.087
  110    HA   LEU  14           HA       LEU  14 129.169  10.265  -3.653
  111   1HB   LEU  14          HB2       LEU  14 130.655   9.517  -1.871
  112   2HB   LEU  14          HB1       LEU  14 131.482  11.076  -1.863
  113    HG   LEU  14           HG       LEU  14 129.325  12.173  -1.250
  114   1HD1  LEU  14          HD11      LEU  14 127.502  10.924  -1.799
  115   2HD1  LEU  14          HD12      LEU  14 127.758  10.181  -0.220
  116   3HD1  LEU  14          HD13      LEU  14 128.386   9.404  -1.673
  117   1HD2  LEU  14          HD21      LEU  14 130.625  11.825   0.648
  118   2HD2  LEU  14          HD22      LEU  14 130.618  10.071   0.456
  119   3HD2  LEU  14          HD23      LEU  14 129.184  10.897   1.068
  120    H    ILE  15           HN       ILE  15 127.816  12.041  -3.445
  121    HA   ILE  15           HA       ILE  15 129.077  14.725  -3.845
  122    HB   ILE  15           HB       ILE  15 126.468  13.675  -4.980
  123   1HG1  ILE  15          HG12      ILE  15 129.083  14.542  -6.254
  124   2HG1  ILE  15          HG11      ILE  15 128.425  12.906  -6.221
  125   1HG2  ILE  15          HG21      ILE  15 126.173  15.873  -5.951
  126   2HG2  ILE  15          HG22      ILE  15 127.735  16.407  -5.331
  127   3HG2  ILE  15          HG23      ILE  15 126.409  16.078  -4.215
  128   1HD1  ILE  15          HD11      ILE  15 127.668  13.556  -8.301
  129   2HD1  ILE  15          HD12      ILE  15 127.575  15.259  -7.850
  130   3HD1  ILE  15          HD13      ILE  15 126.322  14.137  -7.320
  131    H    LYS  16           HN       LYS  16 125.912  13.311  -2.904
  132    HA   LYS  16           HA       LYS  16 126.049  14.711  -0.326
  133   1HB   LYS  16          HB2       LYS  16 125.212  16.432  -1.967
  134   2HB   LYS  16          HB1       LYS  16 123.820  15.389  -2.263
  135   1HG   LYS  16          HG2       LYS  16 123.212  15.492   0.114
  136   2HG   LYS  16          HG1       LYS  16 124.623  16.499   0.442
  137   1HD   LYS  16          HD2       LYS  16 123.747  18.237  -1.069
  138   2HD   LYS  16          HD1       LYS  16 122.338  17.232  -1.413
  139   1HE   LYS  16          HE2       LYS  16 122.967  17.805   1.450
  140   2HE   LYS  16          HE1       LYS  16 122.273  19.107   0.484
  141   1HZ   LYS  16          HZ1       LYS  16 121.129  16.380   0.752
  142   2HZ   LYS  16          HZ2       LYS  16 120.452  17.668  -0.124
  143   3HZ   LYS  16          HZ3       LYS  16 120.570  17.757   1.568
  144    H    ALA  17           HN       ALA  17 125.390  13.108   1.015
  145    HA   ALA  17           HA       ALA  17 123.561  11.015   0.083
  146   1HB   ALA  17          HB1       ALA  17 124.105   9.880   2.055
  147   2HB   ALA  17          HB2       ALA  17 124.372  11.373   2.956
  148   3HB   ALA  17          HB3       ALA  17 125.566  10.829   1.778
  149    H    ILE  18           HN       ILE  18 121.392  10.819   0.662
  150    HA   ILE  18           HA       ILE  18 120.258  13.126   2.192
  151    HB   ILE  18           HB       ILE  18 118.724  11.381   0.262
  152   1HG1  ILE  18          HG12      ILE  18 120.082  14.013  -0.387
  153   2HG1  ILE  18          HG11      ILE  18 120.756  12.442  -0.821
  154   1HG2  ILE  18          HG21      ILE  18 118.275  13.870   1.814
  155   2HG2  ILE  18          HG22      ILE  18 117.119  12.643   1.297
  156   3HG2  ILE  18          HG23      ILE  18 117.661  13.878   0.161
  157   1HD1  ILE  18          HD11      ILE  18 118.666  11.920  -2.068
  158   2HD1  ILE  18          HD12      ILE  18 119.493  13.337  -2.714
  159   3HD1  ILE  18          HD13      ILE  18 118.067  13.536  -1.695
  160    H    ASP  19           HN       ASP  19 119.610   9.668   1.480
  161    HA   ASP  19           HA       ASP  19 118.593   9.446   4.286
  162   1HB   ASP  19          HB2       ASP  19 117.527   8.327   1.709
  163   2HB   ASP  19          HB1       ASP  19 117.248   7.457   3.218
  164    H    GLY  20           HN       GLY  20 118.426   6.743   4.549
  165   1HA   GLY  20          HA2       GLY  20 121.218   5.973   4.750
  166   2HA   GLY  20          HA1       GLY  20 119.837   4.963   5.178
  167    H    ASP  21           HN       ASP  21 118.494   5.014   2.672
  168    HA   ASP  21           HA       ASP  21 120.377   3.333   1.085
  169   1HB   ASP  21          HB2       ASP  21 117.382   3.402   1.386
  170   2HB   ASP  21          HB1       ASP  21 118.110   2.676  -0.047
  171    H    THR  22           HN       THR  22 119.770   6.427   1.120
  172    HA   THR  22           HA       THR  22 119.596   6.630  -1.857
  173    HB   THR  22           HB       THR  22 118.564   8.883  -0.198
  174    HG1  THR  22           HG1      THR  22 117.352   6.360  -0.492
  175   1HG2  THR  22          HG21      THR  22 118.287   7.760  -2.919
  176   2HG2  THR  22          HG22      THR  22 118.239   9.439  -2.382
  177   3HG2  THR  22          HG23      THR  22 116.806   8.423  -2.227
  178    H    VAL  23           HN       VAL  23 121.579   7.313  -2.508
  179    HA   VAL  23           HA       VAL  23 122.779   9.643  -1.106
  180    HB   VAL  23           HB       VAL  23 125.049   8.469  -1.401
  181   1HG1  VAL  23          HG11      VAL  23 123.075   8.354   0.663
  182   2HG1  VAL  23          HG12      VAL  23 124.829   8.283   0.830
  183   3HG1  VAL  23          HG13      VAL  23 123.903   6.797   0.615
  184   1HG2  VAL  23          HG21      VAL  23 123.371   5.960  -1.320
  185   2HG2  VAL  23          HG22      VAL  23 125.091   6.120  -1.674
  186   3HG2  VAL  23          HG23      VAL  23 123.895   6.654  -2.855
  187    H    LYS  24           HN       LYS  24 123.159  11.155  -2.643
  188    HA   LYS  24           HA       LYS  24 123.177  10.410  -5.474
  189   1HB   LYS  24          HB2       LYS  24 123.598  13.090  -4.119
  190   2HB   LYS  24          HB1       LYS  24 123.403  12.850  -5.855
  191   1HG   LYS  24          HG2       LYS  24 121.234  11.492  -4.847
  192   2HG   LYS  24          HG1       LYS  24 121.373  12.845  -3.724
  193   1HD   LYS  24          HD2       LYS  24 121.657  14.276  -5.905
  194   2HD   LYS  24          HD1       LYS  24 120.890  12.894  -6.690
  195   1HE   LYS  24          HE2       LYS  24 118.973  13.058  -5.179
  196   2HE   LYS  24          HE1       LYS  24 119.748  14.380  -4.306
  197   1HZ   LYS  24          HZ1       LYS  24 118.176  15.250  -5.885
  198   2HZ   LYS  24          HZ2       LYS  24 118.917  14.402  -7.157
  199   3HZ   LYS  24          HZ3       LYS  24 119.745  15.663  -6.377
  200    H    LEU  25           HN       LEU  25 124.999   9.812  -6.526
  201    HA   LEU  25           HA       LEU  25 127.611  10.829  -5.473
  202   1HB   LEU  25          HB2       LEU  25 127.512   8.347  -7.132
  203   2HB   LEU  25          HB1       LEU  25 128.590   8.764  -5.801
  204    HG   LEU  25           HG       LEU  25 125.653   8.079  -5.482
  205   1HD1  LEU  25          HD11      LEU  25 126.302   5.928  -5.618
  206   2HD1  LEU  25          HD12      LEU  25 127.314   6.190  -4.197
  207   3HD1  LEU  25          HD13      LEU  25 127.988   6.407  -5.813
  208   1HD2  LEU  25          HD21      LEU  25 125.919   8.467  -3.232
  209   2HD2  LEU  25          HD22      LEU  25 127.152   9.585  -3.816
  210   3HD2  LEU  25          HD23      LEU  25 127.614   7.982  -3.244
  211    H    MET  26           HN       MET  26 129.098   9.838  -7.723
  212    HA   MET  26           HA       MET  26 127.966  11.489  -9.942
  213   1HB   MET  26          HB2       MET  26 130.017  12.397  -8.511
  214   2HB   MET  26          HB1       MET  26 130.929  11.311  -9.560
  215   1HG   MET  26          HG2       MET  26 130.879  12.915 -11.141
  216   2HG   MET  26          HG1       MET  26 129.139  12.659 -11.262
  217   1HE   MET  26          HE1       MET  26 128.673  14.782 -12.070
  218   2HE   MET  26          HE2       MET  26 130.219  15.621 -11.972
  219   3HE   MET  26          HE3       MET  26 128.786  16.341 -11.242
  220    H    TYR  27           HN       TYR  27 127.575  10.145 -11.614
  221    HA   TYR  27           HA       TYR  27 129.471   7.878 -12.080
  222   1HB   TYR  27          HB2       TYR  27 127.133   7.227 -11.375
  223   2HB   TYR  27          HB1       TYR  27 126.541   7.987 -12.852
  224    HD1  TYR  27           HD1      TYR  27 129.111   5.501 -11.715
  225    HD2  TYR  27           HD2      TYR  27 126.360   6.699 -14.788
  226    HE1  TYR  27           HE1      TYR  27 129.635   3.438 -12.989
  227    HE2  TYR  27           HE2      TYR  27 126.884   4.637 -16.062
  228    HH   TYR  27           HH       TYR  27 127.774   2.450 -15.729
  229    H    LYS  28           HN       LYS  28 130.453   7.877 -14.061
  230    HA   LYS  28           HA       LYS  28 130.942   8.465 -16.280
  231   1HB   LYS  28          HB2       LYS  28 128.008   8.736 -16.098
  232   2HB   LYS  28          HB1       LYS  28 128.760   9.701 -17.367
  233   1HG   LYS  28          HG2       LYS  28 128.101   7.366 -18.081
  234   2HG   LYS  28          HG1       LYS  28 129.803   7.755 -18.334
  235   1HD   LYS  28          HD2       LYS  28 130.506   6.436 -16.528
  236   2HD   LYS  28          HD1       LYS  28 128.914   6.462 -15.767
  237   1HE   LYS  28          HE2       LYS  28 129.392   4.260 -16.803
  238   2HE   LYS  28          HE1       LYS  28 128.011   5.051 -17.563
  239   1HZ   LYS  28          HZ1       LYS  28 129.078   5.177 -19.493
  240   2HZ   LYS  28          HZ2       LYS  28 130.221   4.102 -18.842
  241   3HZ   LYS  28          HZ3       LYS  28 130.495   5.778 -18.778
  242    H    GLY  29           HN       GLY  29 130.544  10.520 -13.819
  243   1HA   GLY  29          HA2       GLY  29 131.731  12.625 -13.707
  244   2HA   GLY  29          HA1       GLY  29 131.493  12.818 -15.444
  245    H    GLN  30           HN       GLN  30 128.570  11.797 -14.547
  246    HA   GLN  30           HA       GLN  30 127.609  14.585 -14.083
  247   1HB   GLN  30          HB2       GLN  30 125.358  13.263 -14.770
  248   2HB   GLN  30          HB1       GLN  30 126.431  13.992 -15.961
  249   1HG   GLN  30          HG2       GLN  30 127.577  11.854 -16.282
  250   2HG   GLN  30          HG1       GLN  30 126.584  11.111 -15.027
  251   1HE2  GLN  30          HE21      GLN  30 124.409  10.506 -15.574
  252   2HE2  GLN  30          HE22      GLN  30 123.789  10.641 -17.148
  253    HA   PRO  31           HA       PRO  31 126.040  13.473 -10.124
  254   1HB   PRO  31          HB2       PRO  31 123.883  15.144  -9.984
  255   2HB   PRO  31          HB1       PRO  31 125.556  15.719  -9.877
  256   1HG   PRO  31          HG2       PRO  31 123.659  15.849 -12.188
  257   2HG   PRO  31          HG1       PRO  31 124.901  17.009 -11.687
  258   1HD   PRO  31          HD2       PRO  31 125.205  15.194 -13.769
  259   2HD   PRO  31          HD1       PRO  31 126.553  15.941 -12.884
  260    H    MET  32           HN       MET  32 124.581  11.978  -9.252
  261    HA   MET  32           HA       MET  32 121.972  11.503 -10.471
  262   1HB   MET  32          HB2       MET  32 124.233  10.030 -11.432
  263   2HB   MET  32          HB1       MET  32 123.196   8.927 -10.526
  264   1HG   MET  32          HG2       MET  32 121.239   9.752 -11.843
  265   2HG   MET  32          HG1       MET  32 122.341  10.736 -12.805
  266   1HE   MET  32          HE1       MET  32 123.196   7.115 -11.341
  267   2HE   MET  32          HE2       MET  32 122.261   6.163 -12.491
  268   3HE   MET  32          HE3       MET  32 121.446   7.342 -11.466
  269    H    THR  33           HN       THR  33 120.761   9.835  -9.235
  270    HA   THR  33           HA       THR  33 121.788   9.667  -6.440
  271    HB   THR  33           HB       THR  33 118.951   9.141  -7.340
  272    HG1  THR  33           HG1      THR  33 118.944  11.470  -6.343
  273   1HG2  THR  33          HG21      THR  33 119.381   8.387  -5.111
  274   2HG2  THR  33          HG22      THR  33 118.549   9.934  -4.954
  275   3HG2  THR  33          HG23      THR  33 120.295   9.845  -4.724
  276    H    PHE  34           HN       PHE  34 121.817   7.645  -5.373
  277    HA   PHE  34           HA       PHE  34 121.268   5.279  -7.119
  278   1HB   PHE  34          HB2       PHE  34 123.661   5.921  -5.417
  279   2HB   PHE  34          HB1       PHE  34 123.206   4.240  -5.695
  280    HD1  PHE  34           HD1      PHE  34 124.166   7.413  -7.376
  281    HD2  PHE  34           HD2      PHE  34 123.552   3.183  -7.807
  282    HE1  PHE  34           HE1      PHE  34 125.227   7.487  -9.617
  283    HE2  PHE  34           HE2      PHE  34 124.613   3.258 -10.047
  284    HZ   PHE  34           HZ       PHE  34 125.450   5.409 -10.952
  285    H    ARG  35           HN       ARG  35 120.340   3.491  -6.063
  286    HA   ARG  35           HA       ARG  35 119.596   3.953  -3.201
  287   1HB   ARG  35          HB2       ARG  35 117.909   3.643  -5.484
  288   2HB   ARG  35          HB1       ARG  35 117.724   2.206  -4.477
  289   1HG   ARG  35          HG2       ARG  35 117.741   4.887  -3.143
  290   2HG   ARG  35          HG1       ARG  35 116.283   4.382  -4.000
  291   1HD   ARG  35          HD2       ARG  35 115.921   2.560  -2.586
  292   2HD   ARG  35          HD1       ARG  35 117.612   2.483  -2.089
  293    HE   ARG  35           HE       ARG  35 117.197   4.490  -0.692
  294   1HH1  ARG  35          HH21      ARG  35 115.271   2.243   0.117
  295   2HH1  ARG  35          HH22      ARG  35 113.795   3.131   0.296
  296   1HH2  ARG  35          HH11      ARG  35 114.957   5.918  -1.410
  297   2HH2  ARG  35          HH12      ARG  35 113.616   5.213  -0.570
  298    H    LEU  36           HN       LEU  36 120.366   2.389  -1.875
  299    HA   LEU  36           HA       LEU  36 121.914   0.193  -2.682
  300   1HB   LEU  36          HB2       LEU  36 120.181   0.422  -0.202
  301   2HB   LEU  36          HB1       LEU  36 121.511  -0.719  -0.417
  302    HG   LEU  36           HG       LEU  36 121.745   2.305  -0.477
  303   1HD1  LEU  36          HD11      LEU  36 122.020   2.162   1.749
  304   2HD1  LEU  36          HD12      LEU  36 123.362   1.043   1.508
  305   3HD1  LEU  36          HD13      LEU  36 121.719   0.425   1.680
  306   1HD2  LEU  36          HD21      LEU  36 124.243   0.954  -0.183
  307   2HD2  LEU  36          HD22      LEU  36 123.713   1.976  -1.520
  308   3HD2  LEU  36          HD23      LEU  36 123.409   0.239  -1.563
  309    H    LEU  37           HN       LEU  37 121.428  -1.795  -3.507
  310    HA   LEU  37           HA       LEU  37 118.590  -2.397  -4.050
  311   1HB   LEU  37          HB2       LEU  37 121.230  -3.393  -5.056
  312   2HB   LEU  37          HB1       LEU  37 119.813  -4.427  -5.232
  313    HG   LEU  37           HG       LEU  37 119.791  -1.533  -6.097
  314   1HD1  LEU  37          HD11      LEU  37 121.436  -3.486  -7.203
  315   2HD1  LEU  37          HD12      LEU  37 120.894  -2.015  -8.012
  316   3HD1  LEU  37          HD13      LEU  37 120.003  -3.522  -8.231
  317   1HD2  LEU  37          HD21      LEU  37 117.644  -2.013  -6.587
  318   2HD2  LEU  37          HD22      LEU  37 117.865  -3.637  -5.935
  319   3HD2  LEU  37          HD23      LEU  37 118.173  -3.323  -7.643
  320    H    LEU  38           HN       LEU  38 117.621  -4.419  -3.486
  321    HA   LEU  38           HA       LEU  38 117.155  -6.236  -2.089
  322   1HB   LEU  38          HB2       LEU  38 120.084  -6.407  -1.423
  323   2HB   LEU  38          HB1       LEU  38 118.911  -7.712  -1.602
  324    HG   LEU  38           HG       LEU  38 120.095  -5.996  -3.798
  325   1HD1  LEU  38          HD11      LEU  38 121.549  -7.710  -3.924
  326   2HD1  LEU  38          HD12      LEU  38 120.201  -8.755  -4.373
  327   3HD1  LEU  38          HD13      LEU  38 120.671  -8.601  -2.680
  328   1HD2  LEU  38          HD21      LEU  38 118.471  -8.083  -4.839
  329   2HD2  LEU  38          HD22      LEU  38 118.213  -6.345  -4.986
  330   3HD2  LEU  38          HD23      LEU  38 117.501  -7.232  -3.637
  331    H    VAL  39           HN       VAL  39 117.985  -3.321  -0.980
  332    HA   VAL  39           HA       VAL  39 117.659  -4.214   1.847
  333    HB   VAL  39           HB       VAL  39 119.363  -2.785   2.653
  334   1HG1  VAL  39          HG11      VAL  39 120.674  -3.588   0.080
  335   2HG1  VAL  39          HG12      VAL  39 120.020  -4.848   1.127
  336   3HG1  VAL  39          HG13      VAL  39 121.262  -3.754   1.735
  337   1HG2  VAL  39          HG21      VAL  39 118.745  -0.828   1.246
  338   2HG2  VAL  39          HG22      VAL  39 119.531  -1.595  -0.135
  339   3HG2  VAL  39          HG23      VAL  39 120.487  -1.104   1.263
  340    H    ASP  40           HN       ASP  40 116.812  -2.454   3.254
  341    HA   ASP  40           HA       ASP  40 115.596  -0.147   1.883
  342   1HB   ASP  40          HB2       ASP  40 113.924  -1.916   1.527
  343   2HB   ASP  40          HB1       ASP  40 113.913  -2.267   3.255
  344    H    THR  41           HN       THR  41 115.336   1.561   3.311
  345    HA   THR  41           HA       THR  41 116.461   1.227   5.989
  346    HB   THR  41           HB       THR  41 116.414   3.584   6.131
  347    HG1  THR  41           HG1      THR  41 114.685   3.880   3.961
  348   1HG2  THR  41          HG21      THR  41 116.487   3.761   3.226
  349   2HG2  THR  41          HG22      THR  41 117.377   2.359   3.819
  350   3HG2  THR  41          HG23      THR  41 117.792   3.974   4.393
  351    HA   PRO  42           HA       PRO  42 112.652   0.895   8.197
  352   1HB   PRO  42          HB2       PRO  42 113.359   2.087  10.549
  353   2HB   PRO  42          HB1       PRO  42 113.993   0.514  10.037
  354   1HG   PRO  42          HG2       PRO  42 115.351   3.152  10.105
  355   2HG   PRO  42          HG1       PRO  42 116.045   1.526  10.202
  356   1HD   PRO  42          HD2       PRO  42 115.986   3.213   7.910
  357   2HD   PRO  42          HD1       PRO  42 116.477   1.506   7.961
  358    H    GLU  43           HN       GLU  43 111.992   2.770   6.471
  359    HA   GLU  43           HA       GLU  43 110.764   4.739   6.121
  360   1HB   GLU  43          HB2       GLU  43 110.081   3.828   8.869
  361   2HB   GLU  43          HB1       GLU  43 109.643   5.487   8.460
  362   1HG   GLU  43          HG2       GLU  43 107.758   4.227   7.797
  363   2HG   GLU  43          HG1       GLU  43 108.646   4.483   6.295
  364    H    THR  44           HN       THR  44 112.497   6.161   5.686
  365    HA   THR  44           HA       THR  44 113.338   7.841   8.015
  366    HB   THR  44           HB       THR  44 115.218   6.462   7.199
  367    HG1  THR  44           HG1      THR  44 115.615   8.606   7.887
  368   1HG2  THR  44          HG21      THR  44 115.281   5.961   5.008
  369   2HG2  THR  44          HG22      THR  44 115.784   7.623   4.700
  370   3HG2  THR  44          HG23      THR  44 114.074   7.193   4.645
  371    H    LYS  45           HN       LYS  45 111.053   8.372   6.404
  372    HA   LYS  45           HA       LYS  45 111.604  10.153   4.230
  373   1HB   LYS  45          HB2       LYS  45 109.284  10.853   4.452
  374   2HB   LYS  45          HB1       LYS  45 109.375   9.108   4.694
  375   1HG   LYS  45          HG2       LYS  45 109.776  10.087   7.246
  376   2HG   LYS  45          HG1       LYS  45 108.591  11.214   6.584
  377   1HD   LYS  45          HD2       LYS  45 107.032   9.490   6.135
  378   2HD   LYS  45          HD1       LYS  45 108.255   8.229   6.291
  379   1HE   LYS  45          HE2       LYS  45 108.439   8.628   8.681
  380   2HE   LYS  45          HE1       LYS  45 107.347  10.009   8.571
  381   1HZ   LYS  45          HZ1       LYS  45 106.133   7.758   7.398
  382   2HZ   LYS  45          HZ2       LYS  45 105.626   8.654   8.749
  383   3HZ   LYS  45          HZ3       LYS  45 106.681   7.336   8.947
  384    H    HIS  46           HN       HIS  46 111.738  10.562   7.676
  385    HA   HIS  46           HA       HIS  46 112.038  12.487   9.009
  386   1HB   HIS  46          HB2       HIS  46 114.227  12.093   7.760
  387   2HB   HIS  46          HB1       HIS  46 113.712  13.361   6.651
  388    HD1  HIS  46           HD1      HIS  46 115.698  12.971   9.552
  389    HD2  HIS  46           HD2      HIS  46 112.875  15.809   8.386
  390    HE1  HIS  46           HE1      HIS  46 116.119  15.026  10.972
  391    HA   PRO  47           HA       PRO  47 109.035  15.025   6.548
  392   1HB   PRO  47          HB2       PRO  47 107.003  14.833   8.364
  393   2HB   PRO  47          HB1       PRO  47 107.276  13.632   7.090
  394   1HG   PRO  47          HG2       PRO  47 107.882  13.458  10.007
  395   2HG   PRO  47          HG1       PRO  47 107.423  12.177   8.873
  396   1HD   PRO  47          HD2       PRO  47 110.031  12.685   9.768
  397   2HD   PRO  47          HD1       PRO  47 109.605  11.730   8.331
  398    H    LYS  48           HN       LYS  48 109.562  15.001  10.088
  399    HA   LYS  48           HA       LYS  48 110.329  17.811  10.054
  400   1HB   LYS  48          HB2       LYS  48 107.562  17.047  10.640
  401   2HB   LYS  48          HB1       LYS  48 108.308  17.964  11.950
  402   1HG   LYS  48          HG2       LYS  48 108.078  19.859  10.765
  403   2HG   LYS  48          HG1       LYS  48 109.069  19.177   9.475
  404   1HD   LYS  48          HD2       LYS  48 107.234  19.140   8.173
  405   2HD   LYS  48          HD1       LYS  48 106.562  17.913   9.247
  406   1HE   LYS  48          HE2       LYS  48 105.571  19.640  10.660
  407   2HE   LYS  48          HE1       LYS  48 106.315  20.904   9.681
  408   1HZ   LYS  48          HZ1       LYS  48 104.945  19.236   7.941
  409   2HZ   LYS  48          HZ2       LYS  48 104.548  20.830   8.375
  410   3HZ   LYS  48          HZ3       LYS  48 103.895  19.523   9.242
  411    H    LYS  49           HN       LYS  49 108.677  16.111  12.690
  412    HA   LYS  49           HA       LYS  49 111.099  16.393  14.339
  413   1HB   LYS  49          HB2       LYS  49 108.468  16.595  14.952
  414   2HB   LYS  49          HB1       LYS  49 108.749  14.907  15.381
  415   1HG   LYS  49          HG2       LYS  49 109.298  16.013  17.369
  416   2HG   LYS  49          HG1       LYS  49 110.873  15.839  16.595
  417   1HD   LYS  49          HD2       LYS  49 110.545  18.138  17.444
  418   2HD   LYS  49          HD1       LYS  49 110.688  18.122  15.685
  419   1HE   LYS  49          HE2       LYS  49 107.935  17.796  16.702
  420   2HE   LYS  49          HE1       LYS  49 108.666  19.364  17.042
  421   1HZ   LYS  49          HZ1       LYS  49 108.501  19.945  14.922
  422   2HZ   LYS  49          HZ2       LYS  49 107.539  18.567  14.676
  423   3HZ   LYS  49          HZ3       LYS  49 109.211  18.503  14.383
  424    H    GLY  50           HN       GLY  50 110.015  14.131  12.152
  425   1HA   GLY  50          HA2       GLY  50 110.732  11.941  11.698
  426   2HA   GLY  50          HA1       GLY  50 111.979  12.181  12.923
  427    H    VAL  51           HN       VAL  51 110.895   9.713  12.878
  428    HA   VAL  51           HA       VAL  51 108.553   9.488  14.596
  429    HB   VAL  51           HB       VAL  51 110.595   7.356  13.908
  430   1HG1  VAL  51          HG11      VAL  51 107.981   7.431  15.291
  431   2HG1  VAL  51          HG12      VAL  51 109.295   6.261  15.428
  432   3HG1  VAL  51          HG13      VAL  51 108.153   6.153  14.088
  433   1HG2  VAL  51          HG21      VAL  51 108.596   8.736  12.274
  434   2HG2  VAL  51          HG22      VAL  51 108.343   6.991  12.316
  435   3HG2  VAL  51          HG23      VAL  51 109.889   7.644  11.775
  436    H    GLU  52           HN       GLU  52 111.796  10.206  15.177
  437    HA   GLU  52           HA       GLU  52 112.951  10.474  17.207
  438   1HB   GLU  52          HB2       GLU  52 110.473   9.435  18.593
  439   2HB   GLU  52          HB1       GLU  52 111.723  10.492  19.252
  440   1HG   GLU  52          HG2       GLU  52 110.589  12.298  18.544
  441   2HG   GLU  52          HG1       GLU  52 110.671  11.709  16.883
  442    H    LYS  53           HN       LYS  53 112.525   7.822  15.691
  443    HA   LYS  53           HA       LYS  53 113.568   6.072  17.883
  444   1HB   LYS  53          HB2       LYS  53 111.420   5.183  17.344
  445   2HB   LYS  53          HB1       LYS  53 111.676   5.416  15.614
  446   1HG   LYS  53          HG2       LYS  53 113.132   3.596  15.449
  447   2HG   LYS  53          HG1       LYS  53 113.541   3.640  17.164
  448   1HD   LYS  53          HD2       LYS  53 110.775   2.941  16.147
  449   2HD   LYS  53          HD1       LYS  53 112.015   1.730  16.477
  450   1HE   LYS  53          HE2       LYS  53 111.590   3.702  18.638
  451   2HE   LYS  53          HE1       LYS  53 110.232   2.617  18.340
  452   1HZ   LYS  53          HZ1       LYS  53 113.013   1.922  19.062
  453   2HZ   LYS  53          HZ2       LYS  53 111.963   0.782  18.365
  454   3HZ   LYS  53          HZ3       LYS  53 111.578   1.495  19.859
  455    H    TYR  54           HN       TYR  54 113.288   5.491  14.393
  456    HA   TYR  54           HA       TYR  54 116.263   5.220  14.316
  457   1HB   TYR  54          HB2       TYR  54 114.143   4.034  12.496
  458   2HB   TYR  54          HB1       TYR  54 115.882   3.791  12.325
  459    HD1  TYR  54           HD1      TYR  54 116.860   3.388  15.001
  460    HD2  TYR  54           HD2      TYR  54 113.170   2.049  13.260
  461    HE1  TYR  54           HE1      TYR  54 116.764   1.527  16.638
  462    HE2  TYR  54           HE2      TYR  54 113.073   0.188  14.896
  463    HH   TYR  54           HH       TYR  54 113.937  -0.472  16.981
  464    H    GLY  55           HN       GLY  55 114.496   7.686  13.972
  465   1HA   GLY  55          HA2       GLY  55 114.440   8.486  11.247
  466   2HA   GLY  55          HA1       GLY  55 114.519   9.599  12.614
  467    HA   PRO  56           HA       PRO  56 118.632  10.612  11.420
  468   1HB   PRO  56          HB2       PRO  56 119.510  11.618  13.804
  469   2HB   PRO  56          HB1       PRO  56 118.353  12.470  12.765
  470   1HG   PRO  56          HG2       PRO  56 117.858  10.941  15.286
  471   2HG   PRO  56          HG1       PRO  56 117.035  12.381  14.662
  472   1HD   PRO  56          HD2       PRO  56 116.033   9.783  14.495
  473   2HD   PRO  56          HD1       PRO  56 115.520  11.136  13.463
  474    H    GLU  57           HN       GLU  57 119.257   8.276  11.188
  475    HA   GLU  57           HA       GLU  57 121.421   7.603  13.032
  476   1HB   GLU  57          HB2       GLU  57 118.830   6.534  13.525
  477   2HB   GLU  57          HB1       GLU  57 119.823   5.222  12.888
  478   1HG   GLU  57          HG2       GLU  57 121.334   5.325  14.648
  479   2HG   GLU  57          HG1       GLU  57 120.987   7.022  14.981
  480    H    ALA  58           HN       ALA  58 119.273   6.042  10.619
  481    HA   ALA  58           HA       ALA  58 121.463   4.552   9.440
  482   1HB   ALA  58          HB1       ALA  58 119.725   4.187   7.579
  483   2HB   ALA  58          HB2       ALA  58 118.615   5.104   8.597
  484   3HB   ALA  58          HB3       ALA  58 119.305   3.591   9.184
  485    H    SER  59           HN       SER  59 119.560   7.378   8.332
  486    HA   SER  59           HA       SER  59 120.855   7.869   5.906
  487   1HB   SER  59          HB2       SER  59 119.962   9.940   7.934
  488   2HB   SER  59          HB1       SER  59 120.272  10.246   6.227
  489    HG   SER  59           HG       SER  59 118.128   9.859   6.342
  490    H    ALA  60           HN       ALA  60 121.805   9.246   9.080
  491    HA   ALA  60           HA       ALA  60 124.222  10.429   8.121
  492   1HB   ALA  60          HB1       ALA  60 124.546   9.632  10.850
  493   2HB   ALA  60          HB2       ALA  60 122.876  10.152  10.621
  494   3HB   ALA  60          HB3       ALA  60 124.202  11.242  10.216
  495    H    PHE  61           HN       PHE  61 123.518   7.216   9.423
  496    HA   PHE  61           HA       PHE  61 126.088   6.215   9.831
  497   1HB   PHE  61          HB2       PHE  61 124.099   4.869  10.276
  498   2HB   PHE  61          HB1       PHE  61 123.731   4.803   8.552
  499    HD1  PHE  61           HD1      PHE  61 125.736   3.424  11.255
  500    HD2  PHE  61           HD2      PHE  61 125.292   3.615   6.986
  501    HE1  PHE  61           HE1      PHE  61 127.206   1.441  11.013
  502    HE2  PHE  61           HE2      PHE  61 126.762   1.632   6.745
  503    HZ   PHE  61           HZ       PHE  61 127.719   0.546   8.758
  504    H    THR  62           HN       THR  62 124.293   6.113   6.748
  505    HA   THR  62           HA       THR  62 126.622   5.230   5.259
  506    HB   THR  62           HB       THR  62 124.935   6.265   3.364
  507    HG1  THR  62           HG1      THR  62 122.941   6.295   4.096
  508   1HG2  THR  62          HG21      THR  62 123.897   3.722   4.135
  509   2HG2  THR  62          HG22      THR  62 125.631   3.716   4.457
  510   3HG2  THR  62          HG23      THR  62 125.036   4.084   2.838
  511    H    LYS  63           HN       LYS  63 125.308   8.324   6.186
  512    HA   LYS  63           HA       LYS  63 126.517   9.965   4.199
  513   1HB   LYS  63          HB2       LYS  63 124.837  10.763   5.866
  514   2HB   LYS  63          HB1       LYS  63 126.074  10.648   7.119
  515   1HG   LYS  63          HG2       LYS  63 127.501  12.205   5.734
  516   2HG   LYS  63          HG1       LYS  63 126.110  12.436   4.674
  517   1HD   LYS  63          HD2       LYS  63 124.783  13.159   6.683
  518   2HD   LYS  63          HD1       LYS  63 126.271  13.091   7.628
  519   1HE   LYS  63          HE2       LYS  63 127.256  14.865   6.437
  520   2HE   LYS  63          HE1       LYS  63 126.147  14.689   5.077
  521   1HZ   LYS  63          HZ1       LYS  63 124.338  15.362   6.623
  522   2HZ   LYS  63          HZ2       LYS  63 125.481  16.582   6.319
  523   3HZ   LYS  63          HZ3       LYS  63 125.520  15.724   7.785
  524    H    LYS  64           HN       LYS  64 127.700   9.684   7.549
  525    HA   LYS  64           HA       LYS  64 130.321  10.610   6.975
  526   1HB   LYS  64          HB2       LYS  64 129.089   9.013   9.193
  527   2HB   LYS  64          HB1       LYS  64 130.847   9.132   9.112
  528   1HG   LYS  64          HG2       LYS  64 130.676  11.134  10.123
  529   2HG   LYS  64          HG1       LYS  64 129.923  11.741   8.649
  530   1HD   LYS  64          HD2       LYS  64 127.729  11.306   9.465
  531   2HD   LYS  64          HD1       LYS  64 128.338  10.303  10.782
  532   1HE   LYS  64          HE2       LYS  64 128.122  12.195  12.025
  533   2HE   LYS  64          HE1       LYS  64 129.644  12.658  11.264
  534   1HZ   LYS  64          HZ1       LYS  64 127.382  14.091  11.129
  535   2HZ   LYS  64          HZ2       LYS  64 127.286  13.201   9.685
  536   3HZ   LYS  64          HZ3       LYS  64 128.638  14.181   9.993
  537    H    MET  65           HN       MET  65 128.893   7.401   6.775
  538    HA   MET  65           HA       MET  65 131.192   5.800   6.598
  539   1HB   MET  65          HB2       MET  65 128.924   4.865   6.615
  540   2HB   MET  65          HB1       MET  65 128.616   5.552   5.020
  541   1HG   MET  65          HG2       MET  65 129.285   3.468   4.334
  542   2HG   MET  65          HG1       MET  65 130.884   4.198   4.478
  543   1HE   MET  65          HE1       MET  65 131.536   1.695   4.425
  544   2HE   MET  65          HE2       MET  65 132.147   1.067   5.954
  545   3HE   MET  65          HE3       MET  65 132.652   2.662   5.400
  546    H    VAL  66           HN       VAL  66 129.401   6.567   3.631
  547    HA   VAL  66           HA       VAL  66 131.663   6.250   1.934
  548    HB   VAL  66           HB       VAL  66 130.284   7.350   0.209
  549   1HG1  VAL  66          HG11      VAL  66 128.078   5.939   0.887
  550   2HG1  VAL  66          HG12      VAL  66 129.237   5.237   2.015
  551   3HG1  VAL  66          HG13      VAL  66 129.551   5.181   0.280
  552   1HG2  VAL  66          HG21      VAL  66 128.849   8.975   0.818
  553   2HG2  VAL  66          HG22      VAL  66 129.157   8.628   2.519
  554   3HG2  VAL  66          HG23      VAL  66 127.872   7.775   1.665
  555    H    GLU  67           HN       GLU  67 130.717   8.909   3.932
  556    HA   GLU  67           HA       GLU  67 132.025  11.001   2.432
  557   1HB   GLU  67          HB2       GLU  67 130.932  10.693   5.190
  558   2HB   GLU  67          HB1       GLU  67 132.090  11.995   4.917
  559   1HG   GLU  67          HG2       GLU  67 130.574  12.431   2.778
  560   2HG   GLU  67          HG1       GLU  67 129.356  11.618   3.762
  561    H    ASN  68           HN       ASN  68 133.117   8.648   4.804
  562    HA   ASN  68           HA       ASN  68 135.805   9.927   4.824
  563   1HB   ASN  68          HB2       ASN  68 134.577   7.759   6.548
  564   2HB   ASN  68          HB1       ASN  68 136.260   8.273   6.671
  565   1HD2  ASN  68          HD21      ASN  68 133.930   8.606   8.628
  566   2HD2  ASN  68          HD22      ASN  68 133.890  10.271   8.956
  567    H    ALA  69           HN       ALA  69 134.091   7.449   3.275
  568    HA   ALA  69           HA       ALA  69 136.034   5.394   3.034
  569   1HB   ALA  69          HB1       ALA  69 134.113   6.305   0.872
  570   2HB   ALA  69          HB2       ALA  69 133.655   5.269   2.224
  571   3HB   ALA  69          HB3       ALA  69 134.835   4.705   1.041
  572    H    LYS  70           HN       LYS  70 137.814   5.143   1.674
  573    HA   LYS  70           HA       LYS  70 139.006   7.579   0.624
  574   1HB   LYS  70          HB2       LYS  70 139.912   4.723   0.172
  575   2HB   LYS  70          HB1       LYS  70 140.890   6.185   0.042
  576   1HG   LYS  70          HG2       LYS  70 139.513   5.373   2.609
  577   2HG   LYS  70          HG1       LYS  70 141.155   4.869   2.212
  578   1HD   LYS  70          HD2       LYS  70 140.877   7.699   1.742
  579   2HD   LYS  70          HD1       LYS  70 140.349   7.317   3.381
  580   1HE   LYS  70          HE2       LYS  70 142.456   6.101   3.782
  581   2HE   LYS  70          HE1       LYS  70 142.988   6.479   2.144
  582   1HZ   LYS  70          HZ1       LYS  70 143.242   8.693   2.639
  583   2HZ   LYS  70          HZ2       LYS  70 143.712   7.977   4.105
  584   3HZ   LYS  70          HZ3       LYS  70 142.161   8.651   3.945
  585    H    LYS  71           HN       LYS  71 137.054   5.008  -0.672
  586    HA   LYS  71           HA       LYS  71 137.018   6.401  -3.276
  587   1HB   LYS  71          HB2       LYS  71 137.374   3.432  -3.389
  588   2HB   LYS  71          HB1       LYS  71 137.823   4.659  -4.573
  589   1HG   LYS  71          HG2       LYS  71 139.635   5.431  -3.058
  590   2HG   LYS  71          HG1       LYS  71 139.212   4.145  -1.927
  591   1HD   LYS  71          HD2       LYS  71 139.938   2.452  -3.379
  592   2HD   LYS  71          HD1       LYS  71 139.823   3.491  -4.800
  593   1HE   LYS  71          HE2       LYS  71 141.751   4.145  -2.582
  594   2HE   LYS  71          HE1       LYS  71 142.186   2.980  -3.832
  595   1HZ   LYS  71          HZ1       LYS  71 141.712   4.654  -5.507
  596   2HZ   LYS  71          HZ2       LYS  71 142.894   5.210  -4.422
  597   3HZ   LYS  71          HZ3       LYS  71 141.296   5.774  -4.303
  598    H    ILE  72           HN       ILE  72 135.164   5.751  -4.577
  599    HA   ILE  72           HA       ILE  72 133.132   4.144  -3.090
  600    HB   ILE  72           HB       ILE  72 132.721   6.815  -4.467
  601   1HG1  ILE  72          HG12      ILE  72 131.629   6.767  -1.874
  602   2HG1  ILE  72          HG11      ILE  72 133.199   5.975  -1.731
  603   1HG2  ILE  72          HG21      ILE  72 130.554   6.276  -4.745
  604   2HG2  ILE  72          HG22      ILE  72 130.421   5.825  -3.045
  605   3HG2  ILE  72          HG23      ILE  72 130.929   4.629  -4.237
  606   1HD1  ILE  72          HD11      ILE  72 133.281   8.358  -3.434
  607   2HD1  ILE  72          HD12      ILE  72 134.323   7.905  -2.085
  608   3HD1  ILE  72          HD13      ILE  72 132.786   8.714  -1.779
  609    H    GLU  73           HN       GLU  73 132.433   2.502  -4.369
  610    HA   GLU  73           HA       GLU  73 132.498   2.930  -7.330
  611   1HB   GLU  73          HB2       GLU  73 133.422   0.610  -5.662
  612   2HB   GLU  73          HB1       GLU  73 132.821   0.317  -7.295
  613   1HG   GLU  73          HG2       GLU  73 134.715   1.118  -8.218
  614   2HG   GLU  73          HG1       GLU  73 134.638   2.585  -7.241
  615    H    VAL  74           HN       VAL  74 131.012   1.273  -8.450
  616    HA   VAL  74           HA       VAL  74 128.642   0.587  -6.790
  617    HB   VAL  74           HB       VAL  74 127.201   1.467  -8.707
  618   1HG1  VAL  74          HG11      VAL  74 127.989   2.649  -6.422
  619   2HG1  VAL  74          HG12      VAL  74 126.949   3.463  -7.591
  620   3HG1  VAL  74          HG13      VAL  74 128.682   3.791  -7.573
  621   1HG2  VAL  74          HG21      VAL  74 129.931   2.380  -9.524
  622   2HG2  VAL  74          HG22      VAL  74 128.574   3.467  -9.822
  623   3HG2  VAL  74          HG23      VAL  74 128.581   1.850 -10.527
  624    H    GLU  75           HN       GLU  75 127.489  -1.226  -7.603
  625    HA   GLU  75           HA       GLU  75 128.710  -2.535 -10.000
  626   1HB   GLU  75          HB2       GLU  75 129.521  -3.719  -8.052
  627   2HB   GLU  75          HB1       GLU  75 127.896  -3.801  -7.370
  628   1HG   GLU  75          HG2       GLU  75 127.294  -5.552  -8.689
  629   2HG   GLU  75          HG1       GLU  75 128.133  -4.901 -10.098
  630    H    PHE  76           HN       PHE  76 127.032  -2.071 -11.435
  631    HA   PHE  76           HA       PHE  76 124.241  -2.260 -10.717
  632   1HB   PHE  76          HB2       PHE  76 125.521  -2.390 -13.466
  633   2HB   PHE  76          HB1       PHE  76 123.824  -2.050 -13.125
  634    HD1  PHE  76           HD1      PHE  76 127.227  -0.713 -13.146
  635    HD2  PHE  76           HD2      PHE  76 123.166   0.053 -11.978
  636    HE1  PHE  76           HE1      PHE  76 127.765   1.690 -12.855
  637    HE2  PHE  76           HE2      PHE  76 123.703   2.457 -11.686
  638    HZ   PHE  76           HZ       PHE  76 126.003   3.275 -12.125
  639    H    ASP  77           HN       ASP  77 122.861  -4.013 -10.862
  640    HA   ASP  77           HA       ASP  77 124.046  -6.660 -11.031
  641   1HB   ASP  77          HB2       ASP  77 121.681  -5.558  -9.982
  642   2HB   ASP  77          HB1       ASP  77 121.154  -6.653 -11.260
  643    H    LYS  78           HN       LYS  78 122.410  -8.249 -12.448
  644    HA   LYS  78           HA       LYS  78 123.043  -7.523 -15.217
  645   1HB   LYS  78          HB2       LYS  78 122.080  -9.772 -15.728
  646   2HB   LYS  78          HB1       LYS  78 123.346  -9.840 -14.501
  647   1HG   LYS  78          HG2       LYS  78 121.001  -9.372 -13.052
  648   2HG   LYS  78          HG1       LYS  78 120.531 -10.550 -14.279
  649   1HD   LYS  78          HD2       LYS  78 123.132 -11.040 -12.932
  650   2HD   LYS  78          HD1       LYS  78 121.691 -11.250 -11.935
  651   1HE   LYS  78          HE2       LYS  78 120.821 -12.576 -14.063
  652   2HE   LYS  78          HE1       LYS  78 122.546 -12.762 -14.374
  653   1HZ   LYS  78          HZ1       LYS  78 122.853 -13.989 -12.492
  654   2HZ   LYS  78          HZ2       LYS  78 121.268 -14.460 -12.884
  655   3HZ   LYS  78          HZ3       LYS  78 121.538 -13.297 -11.674
  656    H    GLY  79           HN       GLY  79 120.332  -7.268 -13.106
  657   1HA   GLY  79          HA2       GLY  79 118.254  -7.342 -15.115
  658   2HA   GLY  79          HA1       GLY  79 118.093  -6.660 -13.496
  659    H    GLN  80           HN       GLN  80 116.952  -4.824 -14.390
  660    HA   GLN  80           HA       GLN  80 118.047  -3.137 -16.433
  661   1HB   GLN  80          HB2       GLN  80 116.193  -2.362 -14.159
  662   2HB   GLN  80          HB1       GLN  80 116.416  -1.483 -15.672
  663   1HG   GLN  80          HG2       GLN  80 115.394  -3.195 -16.951
  664   2HG   GLN  80          HG1       GLN  80 115.539  -4.372 -15.645
  665   1HE2  GLN  80          HE21      GLN  80 114.533  -1.117 -14.819
  666   2HE2  GLN  80          HE22      GLN  80 112.901  -1.486 -14.534
  667    H    ARG  81           HN       ARG  81 118.851  -0.867 -16.011
  668    HA   ARG  81           HA       ARG  81 120.743  -0.919 -13.706
  669   1HB   ARG  81          HB2       ARG  81 121.347  -0.535 -16.297
  670   2HB   ARG  81          HB1       ARG  81 120.988   1.134 -15.852
  671   1HG   ARG  81          HG2       ARG  81 122.556   0.883 -13.903
  672   2HG   ARG  81          HG1       ARG  81 123.004  -0.703 -14.532
  673   1HD   ARG  81          HD2       ARG  81 123.252   1.889 -16.085
  674   2HD   ARG  81          HD1       ARG  81 124.584   1.094 -15.245
  675    HE   ARG  81           HE       ARG  81 123.373  -0.797 -17.000
  676   1HH1  ARG  81          HH21      ARG  81 126.217   0.713 -16.615
  677   2HH1  ARG  81          HH22      ARG  81 126.554   1.004 -18.289
  678   1HH2  ARG  81          HH11      ARG  81 123.357   0.179 -19.348
  679   2HH2  ARG  81          HH12      ARG  81 124.935   0.701 -19.836
  680    H    THR  82           HN       THR  82 117.864   0.525 -14.766
  681    HA   THR  82           HA       THR  82 118.090   2.545 -12.596
  682    HB   THR  82           HB       THR  82 117.380   4.351 -13.954
  683    HG1  THR  82           HG1      THR  82 117.105   2.866 -16.275
  684   1HG2  THR  82          HG21      THR  82 119.740   3.134 -14.457
  685   2HG2  THR  82          HG22      THR  82 119.237   4.621 -15.261
  686   3HG2  THR  82          HG23      THR  82 119.022   3.067 -16.067
  687    H    ASP  83           HN       ASP  83 116.072   3.004 -11.610
  688    HA   ASP  83           HA       ASP  83 113.980   0.997 -12.159
  689   1HB   ASP  83          HB2       ASP  83 114.766   2.700  -9.898
  690   2HB   ASP  83          HB1       ASP  83 113.020   2.611 -10.134
  691    H    LYS  84           HN       LYS  84 111.668   2.314 -11.486
  692    HA   LYS  84           HA       LYS  84 111.109   3.803 -13.920
  693   1HB   LYS  84          HB2       LYS  84 108.827   4.006 -12.980
  694   2HB   LYS  84          HB1       LYS  84 109.409   2.343 -12.901
  695   1HG   LYS  84          HG2       LYS  84 110.111   2.738 -10.539
  696   2HG   LYS  84          HG1       LYS  84 109.408   4.353 -10.630
  697   1HD   LYS  84          HD2       LYS  84 107.308   3.563 -10.362
  698   2HD   LYS  84          HD1       LYS  84 107.560   2.279 -11.545
  699   1HE   LYS  84          HE2       LYS  84 107.477   0.888  -9.751
  700   2HE   LYS  84          HE1       LYS  84 109.131   1.428  -9.461
  701   1HZ   LYS  84          HZ1       LYS  84 107.579   3.394  -8.382
  702   2HZ   LYS  84          HZ2       LYS  84 108.383   2.170  -7.521
  703   3HZ   LYS  84          HZ3       LYS  84 106.756   1.970  -7.967
  704    H    TYR  85           HN       TYR  85 112.391   4.663 -10.908
  705    HA   TYR  85           HA       TYR  85 111.321   7.430 -11.039
  706   1HB   TYR  85          HB2       TYR  85 113.044   6.012  -8.986
  707   2HB   TYR  85          HB1       TYR  85 112.558   7.703  -8.869
  708    HD1  TYR  85           HD1      TYR  85 111.644   4.341  -8.121
  709    HD2  TYR  85           HD2      TYR  85 109.998   8.195  -9.065
  710    HE1  TYR  85           HE1      TYR  85 109.471   3.653  -7.143
  711    HE2  TYR  85           HE2      TYR  85 107.825   7.507  -8.088
  712    HH   TYR  85           HH       TYR  85 106.600   5.598  -7.492
  713    H    GLY  86           HN       GLY  86 113.710   5.814 -12.554
  714   1HA   GLY  86          HA2       GLY  86 115.540   6.651 -13.787
  715   2HA   GLY  86          HA1       GLY  86 115.201   8.250 -13.122
  716    H    ARG  87           HN       ARG  87 115.429   5.776 -10.776
  717    HA   ARG  87           HA       ARG  87 117.903   6.966  -9.731
  718   1HB   ARG  87          HB2       ARG  87 116.223   4.661  -8.693
  719   2HB   ARG  87          HB1       ARG  87 117.540   5.446  -7.820
  720   1HG   ARG  87          HG2       ARG  87 116.171   7.639  -8.284
  721   2HG   ARG  87          HG1       ARG  87 114.823   6.524  -8.508
  722   1HD   ARG  87          HD2       ARG  87 116.614   6.519  -6.065
  723   2HD   ARG  87          HD1       ARG  87 115.070   7.369  -6.145
  724    HE   ARG  87           HE       ARG  87 115.248   4.412  -6.560
  725   1HH1  ARG  87          HH11      ARG  87 114.685   6.501  -4.076
  726   2HH1  ARG  87          HH12      ARG  87 113.057   6.004  -3.752
  727   1HH2  ARG  87          HH21      ARG  87 112.794   4.082  -6.628
  728   2HH2  ARG  87          HH22      ARG  87 111.986   4.634  -5.199
  729    H    GLY  88           HN       GLY  88 119.886   5.854  -9.525
  730   1HA   GLY  88          HA2       GLY  88 120.287   3.695 -11.484
  731   2HA   GLY  88          HA1       GLY  88 121.557   4.516 -10.571
  732    H    LEU  89           HN       LEU  89 120.398   1.560 -10.929
  733    HA   LEU  89           HA       LEU  89 120.354   0.914  -8.018
  734   1HB   LEU  89          HB2       LEU  89 119.613  -0.934 -10.294
  735   2HB   LEU  89          HB1       LEU  89 119.205  -1.100  -8.586
  736    HG   LEU  89           HG       LEU  89 118.287   1.244 -10.265
  737   1HD1  LEU  89          HD11      LEU  89 116.766  -0.095 -11.243
  738   2HD1  LEU  89          HD12      LEU  89 116.134  -0.509  -9.649
  739   3HD1  LEU  89          HD13      LEU  89 117.409  -1.490 -10.374
  740   1HD2  LEU  89          HD21      LEU  89 118.386   1.100  -7.609
  741   2HD2  LEU  89          HD22      LEU  89 116.901   0.176  -7.834
  742   3HD2  LEU  89          HD23      LEU  89 117.005   1.834  -8.424
  743    H    ALA  90           HN       ALA  90 122.196   0.097  -7.188
  744    HA   ALA  90           HA       ALA  90 123.734  -1.957  -8.510
  745   1HB   ALA  90          HB1       ALA  90 125.845  -0.616  -8.729
  746   2HB   ALA  90          HB2       ALA  90 124.903   0.840  -8.411
  747   3HB   ALA  90          HB3       ALA  90 124.583  -0.120  -9.855
  748    H    TYR  91           HN       TYR  91 125.942  -2.187  -7.190
  749    HA   TYR  91           HA       TYR  91 125.180  -1.869  -4.327
  750   1HB   TYR  91          HB2       TYR  91 127.322  -3.646  -5.533
  751   2HB   TYR  91          HB1       TYR  91 126.737  -3.679  -3.869
  752    HD1  TYR  91           HD1      TYR  91 124.383  -4.385  -3.384
  753    HD2  TYR  91           HD2      TYR  91 126.104  -4.703  -7.307
  754    HE1  TYR  91           HE1      TYR  91 122.573  -5.943  -4.052
  755    HE2  TYR  91           HE2      TYR  91 124.294  -6.260  -7.975
  756    HH   TYR  91           HH       TYR  91 122.679  -7.713  -7.037
  757    H    ILE  92           HN       ILE  92 126.160  -0.232  -3.268
  758    HA   ILE  92           HA       ILE  92 128.511   1.092  -4.409
  759    HB   ILE  92           HB       ILE  92 127.196   1.596  -1.727
  760   1HG1  ILE  92          HG12      ILE  92 126.546   2.718  -4.472
  761   2HG1  ILE  92          HG11      ILE  92 125.491   1.718  -3.472
  762   1HG2  ILE  92          HG21      ILE  92 129.077   3.116  -3.529
  763   2HG2  ILE  92          HG22      ILE  92 129.241   2.770  -1.807
  764   3HG2  ILE  92          HG23      ILE  92 128.062   3.960  -2.359
  765   1HD1  ILE  92          HD11      ILE  92 126.426   4.543  -2.934
  766   2HD1  ILE  92          HD12      ILE  92 125.703   3.532  -1.683
  767   3HD1  ILE  92          HD13      ILE  92 124.769   3.965  -3.115
  768    H    TYR  93           HN       TYR  93 130.602   0.749  -3.794
  769    HA   TYR  93           HA       TYR  93 131.054  -0.991  -1.402
  770   1HB   TYR  93          HB2       TYR  93 132.634  -0.815  -3.986
  771   2HB   TYR  93          HB1       TYR  93 133.131  -1.750  -2.576
  772    HD1  TYR  93           HD1      TYR  93 132.030  -3.817  -1.977
  773    HD2  TYR  93           HD2      TYR  93 130.604  -1.442  -5.262
  774    HE1  TYR  93           HE1      TYR  93 130.595  -5.699  -2.715
  775    HE2  TYR  93           HE2      TYR  93 129.169  -3.325  -5.999
  776    HH   TYR  93           HH       TYR  93 128.077  -5.440  -4.651
  777    H    ALA  94           HN       ALA  94 132.081   0.087   0.212
  778    HA   ALA  94           HA       ALA  94 133.730   2.466  -0.536
  779   1HB   ALA  94          HB1       ALA  94 132.980   3.542   1.345
  780   2HB   ALA  94          HB2       ALA  94 132.902   2.055   2.290
  781   3HB   ALA  94          HB3       ALA  94 131.615   2.442   1.149
  782    H    ASP  95           HN       ASP  95 135.892   2.238  -0.263
  783    HA   ASP  95           HA       ASP  95 137.945   1.462   0.569
  784   1HB   ASP  95          HB2       ASP  95 136.319   0.309   2.851
  785   2HB   ASP  95          HB1       ASP  95 138.040   0.697   2.856
  786    H    GLY  96           HN       GLY  96 136.123  -0.198  -1.142
  787   1HA   GLY  96          HA2       GLY  96 136.376  -2.319  -2.145
  788   2HA   GLY  96          HA1       GLY  96 137.667  -2.661  -0.992
  789    H    LYS  97           HN       LYS  97 134.640  -1.574   0.286
  790    HA   LYS  97           HA       LYS  97 133.987  -4.392   1.055
  791   1HB   LYS  97          HB2       LYS  97 134.692  -2.215   2.745
  792   2HB   LYS  97          HB1       LYS  97 132.970  -2.519   2.981
  793   1HG   LYS  97          HG2       LYS  97 133.875  -5.066   2.957
  794   2HG   LYS  97          HG1       LYS  97 135.301  -4.253   3.602
  795   1HD   LYS  97          HD2       LYS  97 133.045  -3.130   4.914
  796   2HD   LYS  97          HD1       LYS  97 132.845  -4.883   4.951
  797   1HE   LYS  97          HE2       LYS  97 135.595  -4.244   5.487
  798   2HE   LYS  97          HE1       LYS  97 134.565  -3.303   6.566
  799   1HZ   LYS  97          HZ1       LYS  97 135.081  -6.118   6.537
  800   2HZ   LYS  97          HZ2       LYS  97 133.418  -5.770   6.547
  801   3HZ   LYS  97          HZ3       LYS  97 134.425  -5.152   7.768
  802    H    MET  98           HN       MET  98 131.690  -4.808   1.357
  803    HA   MET  98           HA       MET  98 130.043  -3.291  -0.523
  804   1HB   MET  98          HB2       MET  98 129.888  -5.779  -0.268
  805   2HB   MET  98          HB1       MET  98 129.228  -5.533   1.349
  806   1HG   MET  98          HG2       MET  98 127.188  -5.349   0.415
  807   2HG   MET  98          HG1       MET  98 127.729  -3.848  -0.335
  808   1HE   MET  98          HE1       MET  98 126.599  -7.376  -0.707
  809   2HE   MET  98          HE2       MET  98 128.328  -7.715  -0.678
  810   3HE   MET  98          HE3       MET  98 127.401  -8.028  -2.143
  811    H    VAL  99           HN       VAL  99 129.437  -1.288   0.239
  812    HA   VAL  99           HA       VAL  99 129.013  -0.539   2.922
  813    HB   VAL  99           HB       VAL  99 127.698   0.488   0.390
  814   1HG1  VAL  99          HG11      VAL  99 127.773   1.726   3.160
  815   2HG1  VAL  99          HG12      VAL  99 126.345   1.021   2.402
  816   3HG1  VAL  99          HG13      VAL  99 127.087   2.466   1.714
  817   1HG2  VAL  99          HG21      VAL  99 130.319   0.635   1.205
  818   2HG2  VAL  99          HG22      VAL  99 129.651   2.120   1.882
  819   3HG2  VAL  99          HG23      VAL  99 129.536   1.810   0.149
  820    H    ASN 100           HN       ASN 100 126.631  -1.751   0.547
  821    HA   ASN 100           HA       ASN 100 124.311  -1.640   2.101
  822   1HB   ASN 100          HB2       ASN 100 125.156  -3.913   0.274
  823   2HB   ASN 100          HB1       ASN 100 123.506  -3.569   0.794
  824   1HD2  ASN 100          HD21      ASN 100 123.106  -3.322  -1.635
  825   2HD2  ASN 100          HD22      ASN 100 123.452  -1.823  -2.353
  826    H    GLU 101           HN       GLU 101 126.922  -4.048   2.208
  827    HA   GLU 101           HA       GLU 101 125.641  -5.775   4.121
  828   1HB   GLU 101          HB2       GLU 101 127.700  -6.267   2.640
  829   2HB   GLU 101          HB1       GLU 101 128.628  -5.413   3.873
  830   1HG   GLU 101          HG2       GLU 101 127.284  -7.025   5.507
  831   2HG   GLU 101          HG1       GLU 101 127.185  -8.027   4.059
  832    H    ALA 102           HN       ALA 102 127.759  -2.961   4.409
  833    HA   ALA 102           HA       ALA 102 128.269  -3.098   7.195
  834   1HB   ALA 102          HB1       ALA 102 128.572  -1.157   5.089
  835   2HB   ALA 102          HB2       ALA 102 129.437  -1.258   6.623
  836   3HB   ALA 102          HB3       ALA 102 127.919  -0.366   6.524
  837    H    LEU 103           HN       LEU 103 125.578  -1.595   5.425
  838    HA   LEU 103           HA       LEU 103 124.230  -0.504   7.680
  839   1HB   LEU 103          HB2       LEU 103 123.322  -1.429   4.960
  840   2HB   LEU 103          HB1       LEU 103 122.142  -0.902   6.161
  841    HG   LEU 103           HG       LEU 103 124.508   0.857   5.767
  842   1HD1  LEU 103          HD11      LEU 103 123.662   1.854   3.748
  843   2HD1  LEU 103          HD12      LEU 103 122.215   0.847   3.788
  844   3HD1  LEU 103          HD13      LEU 103 123.786   0.121   3.449
  845   1HD2  LEU 103          HD21      LEU 103 121.958   2.150   5.628
  846   2HD2  LEU 103          HD22      LEU 103 123.137   2.207   6.938
  847   3HD2  LEU 103          HD23      LEU 103 121.896   0.955   6.924
  848    H    VAL 104           HN       VAL 104 123.743  -3.653   6.044
  849    HA   VAL 104           HA       VAL 104 121.803  -4.640   7.889
  850    HB   VAL 104           HB       VAL 104 123.851  -6.268   6.356
  851   1HG1  VAL 104          HG11      VAL 104 122.776  -7.812   7.701
  852   2HG1  VAL 104          HG12      VAL 104 121.641  -7.761   6.352
  853   3HG1  VAL 104          HG13      VAL 104 121.308  -6.842   7.820
  854   1HG2  VAL 104          HG21      VAL 104 121.074  -5.688   5.374
  855   2HG2  VAL 104          HG22      VAL 104 122.517  -6.110   4.451
  856   3HG2  VAL 104          HG23      VAL 104 122.340  -4.486   5.117
  857    H    ARG 105           HN       ARG 105 125.244  -4.271   8.116
  858    HA   ARG 105           HA       ARG 105 125.655  -6.206  10.238
  859   1HB   ARG 105          HB2       ARG 105 127.237  -4.116   8.860
  860   2HB   ARG 105          HB1       ARG 105 127.709  -4.440  10.528
  861   1HG   ARG 105          HG2       ARG 105 127.209  -6.940   9.214
  862   2HG   ARG 105          HG1       ARG 105 128.309  -5.988   8.218
  863   1HD   ARG 105          HD2       ARG 105 128.659  -6.787  11.114
  864   2HD   ARG 105          HD1       ARG 105 129.692  -7.201   9.746
  865    HE   ARG 105           HE       ARG 105 129.587  -4.353  10.007
  866   1HH1  ARG 105          HH21      ARG 105 129.990  -6.009  12.742
  867   2HH1  ARG 105          HH22      ARG 105 131.690  -5.744  12.939
  868   1HH2  ARG 105          HH11      ARG 105 132.140  -4.511   9.730
  869   2HH2  ARG 105          HH12      ARG 105 132.907  -4.897  11.234
  870    H    GLN 106           HN       GLN 106 125.017  -2.715  10.097
  871    HA   GLN 106           HA       GLN 106 125.055  -2.544  13.046
  872   1HB   GLN 106          HB2       GLN 106 125.829  -0.731  11.267
  873   2HB   GLN 106          HB1       GLN 106 124.119  -0.299  11.297
  874   1HG   GLN 106          HG2       GLN 106 125.439   0.997  12.961
  875   2HG   GLN 106          HG1       GLN 106 124.206  -0.006  13.727
  876   1HE2  GLN 106          HE21      GLN 106 125.840   0.319  15.639
  877   2HE2  GLN 106          HE22      GLN 106 127.083  -0.830  15.770
  878    H    GLY 107           HN       GLY 107 122.944  -3.885  11.069
  879   1HA   GLY 107          HA2       GLY 107 120.618  -4.197  11.078
  880   2HA   GLY 107          HA1       GLY 107 120.723  -3.786  12.790
  881    H    LEU 108           HN       LEU 108 121.272  -1.849   9.829
  882    HA   LEU 108           HA       LEU 108 119.349   0.143  10.957
  883   1HB   LEU 108          HB2       LEU 108 121.856   0.414   9.325
  884   2HB   LEU 108          HB1       LEU 108 120.608   1.656   9.205
  885    HG   LEU 108           HG       LEU 108 121.896   0.708  11.783
  886   1HD1  LEU 108          HD11      LEU 108 123.441   2.324  11.501
  887   2HD1  LEU 108          HD12      LEU 108 122.203   3.512  11.095
  888   3HD1  LEU 108          HD13      LEU 108 122.876   2.475   9.837
  889   1HD2  LEU 108          HD21      LEU 108 120.516   3.220  11.953
  890   2HD2  LEU 108          HD22      LEU 108 120.184   1.728  12.832
  891   3HD2  LEU 108          HD23      LEU 108 119.419   2.019  11.270
  892    H    ALA 109           HN       ALA 109 120.152  -1.836   8.193
  893    HA   ALA 109           HA       ALA 109 117.596  -0.954   6.926
  894   1HB   ALA 109          HB1       ALA 109 118.726  -0.160   5.147
  895   2HB   ALA 109          HB2       ALA 109 119.368  -1.779   4.866
  896   3HB   ALA 109          HB3       ALA 109 120.259  -0.640   5.876
  897    H    LYS 110           HN       LYS 110 116.289  -2.679   6.496
  898    HA   LYS 110           HA       LYS 110 117.461  -5.394   6.793
  899   1HB   LYS 110          HB2       LYS 110 115.024  -6.094   6.855
  900   2HB   LYS 110          HB1       LYS 110 115.523  -5.032   8.172
  901   1HG   LYS 110          HG2       LYS 110 114.151  -3.368   7.493
  902   2HG   LYS 110          HG1       LYS 110 114.621  -3.564   5.804
  903   1HD   LYS 110          HD2       LYS 110 112.325  -4.154   5.845
  904   2HD   LYS 110          HD1       LYS 110 113.175  -5.700   5.839
  905   1HE   LYS 110          HE2       LYS 110 112.457  -6.235   7.923
  906   2HE   LYS 110          HE1       LYS 110 112.744  -4.605   8.533
  907   1HZ   LYS 110          HZ1       LYS 110 110.461  -4.784   8.606
  908   2HZ   LYS 110          HZ2       LYS 110 110.367  -5.682   7.166
  909   3HZ   LYS 110          HZ3       LYS 110 110.698  -4.016   7.112
  910    H    VAL 111           HN       VAL 111 116.948  -7.055   5.211
  911    HA   VAL 111           HA       VAL 111 117.256  -6.209   2.504
  912    HB   VAL 111           HB       VAL 111 116.140  -8.858   3.470
  913   1HG1  VAL 111          HG11      VAL 111 116.987  -9.724   1.378
  914   2HG1  VAL 111          HG12      VAL 111 117.757  -8.183   0.998
  915   3HG1  VAL 111          HG13      VAL 111 115.998  -8.311   1.009
  916   1HG2  VAL 111          HG21      VAL 111 118.139  -9.039   4.533
  917   2HG2  VAL 111          HG22      VAL 111 118.803  -7.633   3.700
  918   3HG2  VAL 111          HG23      VAL 111 118.824  -9.213   2.917
  919    H    ALA 112           HN       ALA 112 115.760  -5.773   0.909
  920    HA   ALA 112           HA       ALA 112 112.990  -6.591   1.073
  921   1HB   ALA 112          HB1       ALA 112 112.704  -4.885   2.711
  922   2HB   ALA 112          HB2       ALA 112 112.129  -4.175   1.203
  923   3HB   ALA 112          HB3       ALA 112 113.726  -3.755   1.822
  924    H    TYR 113           HN       TYR 113 111.703  -5.442  -0.731
  925    HA   TYR 113           HA       TYR 113 111.539  -4.906  -3.009
  926   1HB   TYR 113          HB2       TYR 113 114.091  -3.471  -2.250
  927   2HB   TYR 113          HB1       TYR 113 113.399  -3.375  -3.869
  928    HD1  TYR 113           HD1      TYR 113 113.687  -1.405  -1.208
  929    HD2  TYR 113           HD2      TYR 113 110.526  -3.328  -3.391
  930    HE1  TYR 113           HE1      TYR 113 112.095   0.329  -0.429
  931    HE2  TYR 113           HE2      TYR 113 108.934  -1.593  -2.612
  932    HH   TYR 113           HH       TYR 113 109.178   0.896  -1.810
  933    H    VAL 114           HN       VAL 114 112.109  -7.411  -2.938
  934    HA   VAL 114           HA       VAL 114 114.664  -7.870  -4.410
  935    HB   VAL 114           HB       VAL 114 112.867 -10.005  -3.256
  936   1HG1  VAL 114          HG11      VAL 114 115.770 -10.346  -3.186
  937   2HG1  VAL 114          HG12      VAL 114 115.171 -10.070  -4.822
  938   3HG1  VAL 114          HG13      VAL 114 114.536 -11.408  -3.864
  939   1HG2  VAL 114          HG21      VAL 114 114.329  -9.926  -1.237
  940   2HG2  VAL 114          HG22      VAL 114 113.380  -8.452  -1.433
  941   3HG2  VAL 114          HG23      VAL 114 115.088  -8.466  -1.873
  942    H    TYR 115           HN       TYR 115 114.279  -7.708  -6.582
  943    HA   TYR 115           HA       TYR 115 111.995  -9.290  -7.673
  944   1HB   TYR 115          HB2       TYR 115 112.850  -6.555  -8.670
  945   2HB   TYR 115          HB1       TYR 115 111.518  -7.529  -9.293
  946    HD1  TYR 115           HD1      TYR 115 112.576  -5.178  -6.752
  947    HD2  TYR 115           HD2      TYR 115 109.564  -8.066  -7.772
  948    HE1  TYR 115           HE1      TYR 115 111.065  -4.206  -5.043
  949    HE2  TYR 115           HE2      TYR 115 108.054  -7.093  -6.063
  950    HH   TYR 115           HH       TYR 115 109.033  -5.163  -3.633
  951    H    LYS 116           HN       LYS 116 112.824 -10.803  -9.024
  952    HA   LYS 116           HA       LYS 116 115.543 -10.856  -9.878
  953   1HB   LYS 116          HB2       LYS 116 113.243 -12.226 -11.292
  954   2HB   LYS 116          HB1       LYS 116 114.927 -12.746 -11.220
  955   1HG   LYS 116          HG2       LYS 116 114.533 -12.771  -8.629
  956   2HG   LYS 116          HG1       LYS 116 112.827 -12.843  -9.071
  957   1HD   LYS 116          HD2       LYS 116 114.828 -14.721 -10.319
  958   2HD   LYS 116          HD1       LYS 116 114.093 -15.087  -8.758
  959   1HE   LYS 116          HE2       LYS 116 111.952 -14.283 -10.376
  960   2HE   LYS 116          HE1       LYS 116 112.945 -15.299 -11.421
  961   1HZ   LYS 116          HZ1       LYS 116 111.599 -16.817 -10.351
  962   2HZ   LYS 116          HZ2       LYS 116 111.637 -15.984  -8.871
  963   3HZ   LYS 116          HZ3       LYS 116 112.999 -16.856  -9.393
  964    HA   PRO 117           HA       PRO 117 116.566 -11.736 -11.432
  965   1HB   PRO 117          HB2       PRO 117 118.572 -11.093 -13.170
  966   2HB   PRO 117          HB1       PRO 117 117.157 -12.047 -13.644
  967   1HG   PRO 117          HG2       PRO 117 117.853  -9.275 -14.369
  968   2HG   PRO 117          HG1       PRO 117 116.721 -10.387 -15.152
  969   1HD   PRO 117          HD2       PRO 117 116.110  -8.222 -13.329
  970   2HD   PRO 117          HD1       PRO 117 114.975  -9.316 -14.149
  971    H    ASN 118           HN       ASN 118 116.474  -8.535 -10.820
  972    HA   ASN 118           HA       ASN 118 119.250  -8.006 -10.114
  973   1HB   ASN 118          HB2       ASN 118 116.629  -6.599  -9.638
  974   2HB   ASN 118          HB1       ASN 118 118.096  -6.064  -8.816
  975   1HD2  ASN 118          HD21      ASN 118 116.838  -4.366 -10.719
  976   2HD2  ASN 118          HD22      ASN 118 117.837  -4.241 -12.085
  977    H    ASN 119           HN       ASN 119 119.593  -9.970  -8.781
  978    HA   ASN 119           HA       ASN 119 119.206  -9.389  -5.962
  979   1HB   ASN 119          HB2       ASN 119 117.867 -11.351  -5.396
  980   2HB   ASN 119          HB1       ASN 119 116.984 -10.359  -6.556
  981   1HD2  ASN 119          HD21      ASN 119 116.360 -13.107  -6.337
  982   2HD2  ASN 119          HD22      ASN 119 116.877 -13.911  -7.740
  983    H    THR 120           HN       THR 120 121.320 -10.063  -7.976
  984    HA   THR 120           HA       THR 120 122.309 -12.709  -7.509
  985    HB   THR 120           HB       THR 120 123.874 -10.198  -8.179
  986    HG1  THR 120           HG1      THR 120 123.619 -11.494 -10.313
  987   1HG2  THR 120          HG21      THR 120 124.895 -12.593  -7.413
  988   2HG2  THR 120          HG22      THR 120 125.687 -11.526  -8.573
  989   3HG2  THR 120          HG23      THR 120 124.702 -12.873  -9.144
  990    H    HIS 121           HN       HIS 121 122.833  -9.635  -5.807
  991    HA   HIS 121           HA       HIS 121 124.624 -10.997  -3.879
  992   1HB   HIS 121          HB2       HIS 121 123.851  -8.133  -4.395
  993   2HB   HIS 121          HB1       HIS 121 124.589  -8.589  -2.859
  994    HD1  HIS 121           HD1      HIS 121 126.623 -10.675  -3.789
  995    HD2  HIS 121           HD2      HIS 121 126.010  -7.061  -5.773
  996    HE1  HIS 121           HE1      HIS 121 128.737 -10.213  -5.106
  997    H    GLU 122           HN       GLU 122 121.653 -11.519  -4.131
  998    HA   GLU 122           HA       GLU 122 120.477 -10.393  -1.706
  999   1HB   GLU 122          HB2       GLU 122 119.141 -11.045  -3.733
 1000   2HB   GLU 122          HB1       GLU 122 119.507 -12.732  -3.372
 1001   1HG   GLU 122          HG2       GLU 122 118.609 -11.950  -0.950
 1002   2HG   GLU 122          HG1       GLU 122 117.682 -10.850  -1.971
 1003    H    GLN 123           HN       GLN 123 122.308 -13.236  -2.551
 1004    HA   GLN 123           HA       GLN 123 121.530 -14.842  -0.276
 1005   1HB   GLN 123          HB2       GLN 123 123.123 -15.192  -2.563
 1006   2HB   GLN 123          HB1       GLN 123 124.235 -15.358  -1.203
 1007   1HG   GLN 123          HG2       GLN 123 123.293 -17.541  -1.678
 1008   2HG   GLN 123          HG1       GLN 123 122.611 -16.965  -0.156
 1009   1HE2  GLN 123          HE21      GLN 123 121.857 -17.769  -3.492
 1010   2HE2  GLN 123          HE22      GLN 123 120.180 -17.537  -3.368
 1011    H    LEU 124           HN       LEU 124 124.416 -12.831  -0.938
 1012    HA   LEU 124           HA       LEU 124 125.612 -13.177   1.626
 1013   1HB   LEU 124          HB2       LEU 124 126.820 -12.229  -0.304
 1014   2HB   LEU 124          HB1       LEU 124 125.785 -10.802  -0.253
 1015    HG   LEU 124           HG       LEU 124 126.620 -10.185   1.926
 1016   1HD1  LEU 124          HD11      LEU 124 128.683 -11.864   2.590
 1017   2HD1  LEU 124          HD12      LEU 124 127.515 -12.998   1.911
 1018   3HD1  LEU 124          HD13      LEU 124 127.059 -11.969   3.269
 1019   1HD2  LEU 124          HD21      LEU 124 128.460  -9.286   0.982
 1020   2HD2  LEU 124          HD22      LEU 124 128.236 -10.378  -0.385
 1021   3HD2  LEU 124          HD23      LEU 124 129.265 -10.856   0.966
 1022    H    LEU 125           HN       LEU 125 123.328 -10.721   0.423
 1023    HA   LEU 125           HA       LEU 125 123.273  -9.235   2.900
 1024   1HB   LEU 125          HB2       LEU 125 121.166  -9.353   0.722
 1025   2HB   LEU 125          HB1       LEU 125 121.352  -8.087   1.938
 1026    HG   LEU 125           HG       LEU 125 123.478  -8.810  -0.096
 1027   1HD1  LEU 125          HD11      LEU 125 121.604  -6.426  -0.073
 1028   2HD1  LEU 125          HD12      LEU 125 121.391  -7.840  -1.106
 1029   3HD1  LEU 125          HD13      LEU 125 122.811  -6.811  -1.300
 1030   1HD2  LEU 125          HD21      LEU 125 124.647  -7.740   1.585
 1031   2HD2  LEU 125          HD22      LEU 125 123.228  -6.864   2.158
 1032   3HD2  LEU 125          HD23      LEU 125 124.071  -6.324   0.705
 1033    H    ARG 126           HN       ARG 126 121.754 -12.155   1.825
 1034    HA   ARG 126           HA       ARG 126 119.489 -12.050   3.636
 1035   1HB   ARG 126          HB2       ARG 126 119.863 -13.537   1.511
 1036   2HB   ARG 126          HB1       ARG 126 120.692 -14.618   2.631
 1037   1HG   ARG 126          HG2       ARG 126 118.676 -14.647   4.075
 1038   2HG   ARG 126          HG1       ARG 126 117.846 -13.611   2.913
 1039   1HD   ARG 126          HD2       ARG 126 117.437 -15.335   1.504
 1040   2HD   ARG 126          HD1       ARG 126 119.073 -15.971   1.676
 1041    HE   ARG 126           HE       ARG 126 117.201 -16.427   3.928
 1042   1HH1  ARG 126          HH21      ARG 126 119.880 -17.686   2.550
 1043   2HH1  ARG 126          HH22      ARG 126 119.284 -19.298   2.338
 1044   1HH2  ARG 126          HH11      ARG 126 115.997 -18.464   3.062
 1045   2HH2  ARG 126          HH12      ARG 126 117.087 -19.739   2.627
 1046    H    LYS 127           HN       LYS 127 122.338 -14.225   3.693
 1047    HA   LYS 127           HA       LYS 127 122.020 -15.088   6.358
 1048   1HB   LYS 127          HB2       LYS 127 124.436 -15.639   6.283
 1049   2HB   LYS 127          HB1       LYS 127 123.614 -16.130   4.801
 1050   1HG   LYS 127          HG2       LYS 127 124.307 -13.807   3.887
 1051   2HG   LYS 127          HG1       LYS 127 125.443 -13.773   5.236
 1052   1HD   LYS 127          HD2       LYS 127 125.276 -15.981   3.164
 1053   2HD   LYS 127          HD1       LYS 127 126.481 -14.693   3.174
 1054   1HE   LYS 127          HE2       LYS 127 127.020 -15.473   5.577
 1055   2HE   LYS 127          HE1       LYS 127 126.120 -16.933   5.163
 1056   1HZ   LYS 127          HZ1       LYS 127 127.672 -17.579   3.654
 1057   2HZ   LYS 127          HZ2       LYS 127 128.686 -16.735   4.725
 1058   3HZ   LYS 127          HZ3       LYS 127 128.160 -15.998   3.287
 1059    H    SER 128           HN       SER 128 123.430 -12.127   5.092
 1060    HA   SER 128           HA       SER 128 124.714 -11.282   7.523
 1061   1HB   SER 128          HB2       SER 128 124.584  -8.998   6.476
 1062   2HB   SER 128          HB1       SER 128 125.292 -10.218   5.420
 1063    HG   SER 128           HG       SER 128 123.091  -8.724   5.060
 1064    H    GLU 129           HN       GLU 129 121.524 -10.485   6.112
 1065    HA   GLU 129           HA       GLU 129 120.615  -8.795   8.186
 1066   1HB   GLU 129          HB2       GLU 129 119.494  -9.402   5.921
 1067   2HB   GLU 129          HB1       GLU 129 118.784 -10.753   6.806
 1068   1HG   GLU 129          HG2       GLU 129 118.357  -8.633   8.521
 1069   2HG   GLU 129          HG1       GLU 129 118.139  -7.889   6.936
 1070    H    ALA 130           HN       ALA 130 120.513 -12.340   7.923
 1071    HA   ALA 130           HA       ALA 130 118.983 -12.822  10.279
 1072   1HB   ALA 130          HB1       ALA 130 121.163 -14.735   9.675
 1073   2HB   ALA 130          HB2       ALA 130 120.046 -14.414   8.349
 1074   3HB   ALA 130          HB3       ALA 130 119.437 -15.027   9.886
 1075    H    GLN 131           HN       GLN 131 122.457 -12.336   9.786
 1076    HA   GLN 131           HA       GLN 131 123.235 -12.916  12.491
 1077   1HB   GLN 131          HB2       GLN 131 124.908 -12.829  10.715
 1078   2HB   GLN 131          HB1       GLN 131 124.528 -11.135  10.401
 1079   1HG   GLN 131          HG2       GLN 131 125.740 -10.406  12.179
 1080   2HG   GLN 131          HG1       GLN 131 125.189 -11.725  13.213
 1081   1HE2  GLN 131          HE21      GLN 131 127.803 -11.315  13.559
 1082   2HE2  GLN 131          HE22      GLN 131 128.764 -12.418  12.698
 1083    H    ALA 132           HN       ALA 132 122.140  -9.981  10.848
 1084    HA   ALA 132           HA       ALA 132 122.667  -8.163  13.001
 1085   1HB   ALA 132          HB1       ALA 132 121.895  -6.691  11.479
 1086   2HB   ALA 132          HB2       ALA 132 120.289  -7.415  11.558
 1087   3HB   ALA 132          HB3       ALA 132 121.484  -8.042  10.423
 1088    H    LYS 133           HN       LYS 133 119.959 -10.306  12.250
 1089    HA   LYS 133           HA       LYS 133 118.126  -9.305  14.196
 1090   1HB   LYS 133          HB2       LYS 133 118.345 -11.622  12.464
 1091   2HB   LYS 133          HB1       LYS 133 117.739 -12.089  14.054
 1092   1HG   LYS 133          HG2       LYS 133 116.277  -9.854  13.669
 1093   2HG   LYS 133          HG1       LYS 133 116.494 -10.349  11.990
 1094   1HD   LYS 133          HD2       LYS 133 115.860 -12.637  13.654
 1095   2HD   LYS 133          HD1       LYS 133 114.628 -11.385  13.820
 1096   1HE   LYS 133          HE2       LYS 133 115.218 -11.459  11.077
 1097   2HE   LYS 133          HE1       LYS 133 115.149 -13.149  11.575
 1098   1HZ   LYS 133          HZ1       LYS 133 113.022 -12.429  12.787
 1099   2HZ   LYS 133          HZ2       LYS 133 112.958 -12.642  11.103
 1100   3HZ   LYS 133          HZ3       LYS 133 113.058 -11.079  11.761
 1101    H    LYS 134           HN       LYS 134 120.492 -11.984  14.406
 1102    HA   LYS 134           HA       LYS 134 119.999 -12.462  17.210
 1103   1HB   LYS 134          HB2       LYS 134 121.926 -13.382  15.162
 1104   2HB   LYS 134          HB1       LYS 134 122.540 -13.388  16.816
 1105   1HG   LYS 134          HG2       LYS 134 119.823 -14.532  16.219
 1106   2HG   LYS 134          HG1       LYS 134 121.270 -15.498  15.934
 1107   1HD   LYS 134          HD2       LYS 134 121.648 -15.799  18.150
 1108   2HD   LYS 134          HD1       LYS 134 121.262 -14.121  18.532
 1109   1HE   LYS 134          HE2       LYS 134 118.796 -14.876  17.980
 1110   2HE   LYS 134          HE1       LYS 134 119.427 -16.486  18.327
 1111   1HZ   LYS 134          HZ1       LYS 134 120.007 -15.867  20.489
 1112   2HZ   LYS 134          HZ2       LYS 134 118.468 -15.186  20.257
 1113   3HZ   LYS 134          HZ3       LYS 134 119.856 -14.209  20.165
 1114    H    GLU 135           HN       GLU 135 121.847 -10.125  15.460
 1115    HA   GLU 135           HA       GLU 135 123.601  -9.462  17.718
 1116   1HB   GLU 135          HB2       GLU 135 123.356  -8.715  14.896
 1117   2HB   GLU 135          HB1       GLU 135 123.713  -7.338  15.938
 1118   1HG   GLU 135          HG2       GLU 135 125.608  -8.590  16.928
 1119   2HG   GLU 135          HG1       GLU 135 125.266  -9.941  15.846
 1120    H    LYS 136           HN       LYS 136 120.420  -8.698  16.730
 1121    HA   LYS 136           HA       LYS 136 118.891  -7.070  17.462
 1122   1HB   LYS 136          HB2       LYS 136 120.651  -7.649  19.820
 1123   2HB   LYS 136          HB1       LYS 136 119.484  -6.332  19.938
 1124   1HG   LYS 136          HG2       LYS 136 118.045  -7.986  20.562
 1125   2HG   LYS 136          HG1       LYS 136 117.936  -8.282  18.826
 1126   1HD   LYS 136          HD2       LYS 136 119.508 -10.058  18.918
 1127   2HD   LYS 136          HD1       LYS 136 120.056  -9.596  20.529
 1128   1HE   LYS 136          HE2       LYS 136 117.606 -10.051  21.259
 1129   2HE   LYS 136          HE1       LYS 136 117.471 -10.926  19.734
 1130   1HZ   LYS 136          HZ1       LYS 136 119.135 -11.524  22.078
 1131   2HZ   LYS 136          HZ2       LYS 136 119.668 -12.016  20.542
 1132   3HZ   LYS 136          HZ3       LYS 136 118.177 -12.567  21.144
 1133    H    LEU 137           HN       LEU 137 120.299  -5.789  15.732
 1134    HA   LEU 137           HA       LEU 137 121.699  -3.519  17.042
 1135   1HB   LEU 137          HB2       LEU 137 122.021  -4.940  14.553
 1136   2HB   LEU 137          HB1       LEU 137 121.769  -3.223  14.232
 1137    HG   LEU 137           HG       LEU 137 124.188  -3.906  14.619
 1138   1HD1  LEU 137          HD11      LEU 137 124.603  -1.981  16.204
 1139   2HD1  LEU 137          HD12      LEU 137 122.857  -1.872  16.429
 1140   3HD1  LEU 137          HD13      LEU 137 123.561  -1.584  14.838
 1141   1HD2  LEU 137          HD21      LEU 137 123.221  -5.366  16.676
 1142   2HD2  LEU 137          HD22      LEU 137 123.643  -3.891  17.546
 1143   3HD2  LEU 137          HD23      LEU 137 124.878  -4.763  16.638
 1144    H    ASN 138           HN       ASN 138 119.784  -2.460  17.820
 1145    HA   ASN 138           HA       ASN 138 118.180  -0.770  17.662
 1146   1HB   ASN 138          HB2       ASN 138 118.992  -0.644  14.744
 1147   2HB   ASN 138          HB1       ASN 138 118.124   0.597  15.648
 1148   1HD2  ASN 138          HD21      ASN 138 121.141  -0.049  14.499
 1149   2HD2  ASN 138          HD22      ASN 138 122.081   0.736  15.673
 1150    H    ILE 139           HN       ILE 139 117.308  -1.205  14.370
 1151    HA   ILE 139           HA       ILE 139 114.656  -1.728  14.673
 1152    HB   ILE 139           HB       ILE 139 116.480  -3.034  12.637
 1153   1HG1  ILE 139          HG12      ILE 139 114.782  -0.860  11.733
 1154   2HG1  ILE 139          HG11      ILE 139 115.806  -0.339  13.072
 1155   1HG2  ILE 139          HG21      ILE 139 113.785  -3.586  13.174
 1156   2HG2  ILE 139          HG22      ILE 139 114.666  -3.986  11.699
 1157   3HG2  ILE 139          HG23      ILE 139 113.752  -2.481  11.800
 1158   1HD1  ILE 139          HD11      ILE 139 117.494  -1.891  11.475
 1159   2HD1  ILE 139          HD12      ILE 139 117.479  -0.130  11.573
 1160   3HD1  ILE 139          HD13      ILE 139 116.545  -0.953  10.323
 1161    H    TRP 140           HN       TRP 140 117.187  -4.234  14.812
 1162    HA   TRP 140           HA       TRP 140 115.172  -6.304  15.343
 1163   1HB   TRP 140          HB2       TRP 140 118.181  -6.552  15.549
 1164   2HB   TRP 140          HB1       TRP 140 117.006  -7.846  15.297
 1165    HD1  TRP 140           HD1      TRP 140 119.103  -5.372  13.461
 1166    HE1  TRP 140           HE1      TRP 140 118.587  -5.470  10.938
 1167    HE3  TRP 140           HE3      TRP 140 114.889  -8.258  13.531
 1168    HZ2  TRP 140           HZ2      TRP 140 116.644  -6.616   9.181
 1169    HZ3  TRP 140           HZ3      TRP 140 113.726  -8.834  11.419
 1170    HH2  TRP 140           HH2      TRP 140 114.597  -8.017   9.246
 1171    H    SER 141           HN       SER 141 114.965  -4.336  17.278
 1172    HA   SER 141           HA       SER 141 116.333  -5.499  19.662
 1173   1HB   SER 141          HB2       SER 141 115.209  -2.785  19.038
 1174   2HB   SER 141          HB1       SER 141 115.336  -3.309  20.715
 1175    HG   SER 141           HG       SER 141 117.306  -2.676  18.871
 1176    H    GLU 142           HN       GLU 142 113.310  -3.665  19.516
 1177    HA   GLU 142           HA       GLU 142 112.012  -5.638  21.243
 1178   1HB   GLU 142          HB2       GLU 142 111.326  -2.955  20.127
 1179   2HB   GLU 142          HB1       GLU 142 109.989  -4.004  20.599
 1180   1HG   GLU 142          HG2       GLU 142 111.938  -4.175  22.658
 1181   2HG   GLU 142          HG1       GLU 142 111.730  -2.463  22.286
 1182    H    ASP 143           HN       ASP 143 109.449  -5.846  20.336
 1183    HA   ASP 143           HA       ASP 143 109.325  -6.494  17.504
 1184   1HB   ASP 143          HB2       ASP 143 110.552  -8.435  18.959
 1185   2HB   ASP 143          HB1       ASP 143 108.868  -8.934  19.122
 1186    H    ASN 144           HN       ASN 144 107.567  -4.896  18.252
 1187    HA   ASN 144           HA       ASN 144 105.033  -6.154  18.185
 1188   1HB   ASN 144          HB2       ASN 144 104.266  -5.640  20.533
 1189   2HB   ASN 144          HB1       ASN 144 105.448  -6.946  20.433
 1190   1HD2  ASN 144          HD21      ASN 144 107.694  -6.448  21.096
 1191   2HD2  ASN 144          HD22      ASN 144 108.018  -5.112  22.092
 1192    H    ALA 145           HN       ALA 145 103.247  -4.527  18.585
 1193    HA   ALA 145           HA       ALA 145 104.291  -1.752  18.176
 1194   1HB   ALA 145          HB1       ALA 145 101.566  -2.400  17.210
 1195   2HB   ALA 145          HB2       ALA 145 102.882  -3.196  16.347
 1196   3HB   ALA 145          HB3       ALA 145 102.831  -1.436  16.447
 1197    H    ASP 146           HN       ASP 146 104.148  -1.648  20.599
 1198    HA   ASP 146           HA       ASP 146 101.584  -0.500  21.386
 1199   1HB   ASP 146          HB2       ASP 146 101.225  -2.970  21.698
 1200   2HB   ASP 146          HB1       ASP 146 102.552  -2.966  22.860
 1201    H    SER 147           HN       SER 147 101.856   0.900  23.136
 1202    HA   SER 147           HA       SER 147 103.053   2.251  24.634
 1203   1HB   SER 147          HB2       SER 147 104.814  -0.142  25.151
 1204   2HB   SER 147          HB1       SER 147 104.332   1.127  26.273
 1205    HG   SER 147           HG       SER 147 102.166   0.322  26.039
 1206    H    GLY 148           HN       GLY 148 103.863   3.232  22.500
 1207   1HA   GLY 148          HA2       GLY 148 106.810   3.316  22.624
 1208   2HA   GLY 148          HA1       GLY 148 106.121   2.800  21.084
 1209    H    GLN 149           HN       GLN 149 104.872   5.255  23.336
 1210    HA   GLN 149           HA       GLN 149 105.503   7.347  21.310
 1211   1HB   GLN 149          HB2       GLN 149 102.802   6.580  22.382
 1212   2HB   GLN 149          HB1       GLN 149 103.121   8.261  21.954
 1213   1HG   GLN 149          HG2       GLN 149 103.678   5.957  20.072
 1214   2HG   GLN 149          HG1       GLN 149 102.148   6.834  20.087
 1215   1HE2  GLN 149          HE21      GLN 149 104.829   6.733  18.286
 1216   2HE2  GLN 149          HE22      GLN 149 105.026   8.373  17.899
 1217    HN3  PTP   1           H3       PDT   1 112.571  -3.755  -8.279
 1218   1H5M  PTP   1          H51       PDT   1 114.877  -0.275  -4.834
 1219   2H5M  PTP   1          H52       PDT   1 115.856  -1.405  -5.800
 1220   3H5M  PTP   1          H53       PDT   1 114.996  -1.985  -4.353
 1221    H6   PTP   1           H6       PDT   1 112.650   0.026  -5.315
 1222    H1*  PTP   1           H1'      PDT   1 109.866  -0.202  -7.635
 1223   1H2*  PTP   1          H2''      PDT   1 109.812  -1.395  -4.884
 1224   2H2*  PTP   1          H2'       PDT   1 108.470  -1.170  -6.027
 1225    H3*  PTP   1           H3'      PDT   1 108.850   0.524  -3.875
 1226    H4*  PTP   1           H4'      PDT   1 109.894   2.594  -5.316
 1227   1H5*  PTP   1          H5'       PDT   1 111.289   0.454  -3.608
 1228   2H5*  PTP   1          H5''      PDT   1 110.665   1.980  -3.059