*HEADER    HYDROLASE                               30-JUL-01   1JOO              
*TITLE     AVERAGED STRUCTURE FOR UNLIGATED STAPHYLOCOCCAL NUCLEASE-             
*TITLE    2 H124L                                                                
*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    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 1JOO    0                                                
!h124lus_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
!His 8
assign (resid 8 and name hn ) (resid 8 and name ha ) 3.1 1.3 0.4
assign (resid 8 and name hn ) (resid 8 and name hb2 ) 3.8 2.0 1.5  
assign (resid 8 and name hn ) (resid 8 and name hb1 ) 3.3 1.5 0.2 
assign (resid 8 and name hn ) (resid 75 and name ha ) 5.5 3.7 1.0
assign (resid 8 and name hn ) (resid 75 and name hg1 ) 4.0 2.2 1.3 
assign (resid 8 and name hn ) (resid 7 and name hd1# ) 5.4 3.6 1.1 
assign (resid 8 and name hn ) (resid 7 and name hg ) 5.2 3.4 0.1 
assign (resid 8 and name hn ) (resid 7 and name hb# ) 3.5 1.7 1.8
assign (resid 8 and name hn ) (resid 7 and name ha ) 3.8 2.0 1.5
assign (resid 8 and name ha ) (resid 8 and name hb1 ) 2.8 1.0 0.7 
assign (resid 8 and name ha ) (resid 8 and name hb2 ) 2.8 1.0 0.7 
assign (resid 8 and name hd2 ) (resid 8 and name hb2 ) 3.5 1.7 1.8 
assign (resid 8 and name hd2 ) (resid 8 and name ha ) 5.5 3.7 1.0
!Lys 9
assign (resid 9 and name hn ) (resid 8 and name ha ) 2.5 0.7 0.2
assign (resid 9 and name hn ) (resid 9 and name ha ) 3.6 1.8 1.7
assign (resid 9 and name hn ) (resid 8 and name hb2 ) 3.2 1.4 0.3 
assign (resid 9 and name hn ) (resid 8 and name hb1 ) 3.9 2.1 1.4 
assign (resid 9 and name hn ) (resid 9 and name hg2 ) 3.5 1.7 1.8 
assign (resid 9 and name hn ) (resid 9 and name hg1 ) 3.0 1.2 0.5 
assign (resid 9 and name hn ) (resid 9 and name hb1 ) 3.5 1.7 1.8 
assign (resid 9 and name hn ) (resid 9 and name hb2 ) 2.7 0.9 0.8 
assign (resid 9 and name ha ) (resid 9 and name hb1 ) 2.5 0.7 0.2 
assign (resid 9 and name ha ) (resid 9 and name hb2 ) 3.3 1.5 0.2 
!Glu 10
assign (resid 10 and name hn ) (resid 9 and name ha ) 2.8 1.0 0.7
assign (resid 10 and name hn ) (resid 10 and name ha ) 3.5 1.7 1.8
assign (resid 10 and name hn ) (resid 10 and name hb1 ) 3.9 2.1 1.4 
assign (resid 10 and name hn ) (resid 10 and name hb2 ) 3.7 1.9 1.6 
assign (resid 10 and name hn ) (resid 10 and name hg2 ) 3.1 1.3 0.4
assign (resid 10 and name hn ) (resid 9 and name he# ) 5.5 3.7 1.0    
assign (resid 10 and name hn ) (resid 9 and name hb1 ) 3.0 1.2 0.5 
assign (resid 10 and name hn ) (resid 9 and name hb2 ) 4.1 2.3 1.2 
assign (resid 10 and name hn ) (resid 74 and name hg2# ) 5.5 3.7 1.0
assign (resid 10 and name hn ) (resid 75 and name hb2 ) 4.4 2.6 0.9   
assign (resid 10 and name hn ) (resid 9 and name hg# ) 5.1 3.3 0.2 
assign (resid 10 and name hn ) (resid 74 and name hb ) 5.0 3.2 0.3
assign (resid 10 and name hn ) (resid 74 and name hn ) 3.5 1.7 1.8
assign (resid 10 and name ha ) (resid 10 and name hb1 ) 2.7 0.9 0.8 
assign (resid 10 and name ha ) (resid 10 and name hb2 ) 3.4 1.6 0.1 
!pro 11
assign (resid 11 and name hd# ) (resid 10 and name ha ) 3.0 1.2 0.5
assign (resid 11 and name ha ) (resid 11 and name hb1 ) 2.8 1.0 0.7 
assign (resid 11 and name ha ) (resid 11 and name hb2 ) 3.3 1.5 0.2 
assign (resid 11 and name ha ) (resid 11 and name hg# ) 5.0 3.2 0.3 
assign (resid 11 and name ha ) (resid 73 and name hb1 ) 4.0 2.2 1.3 
!Ala 12
assign (resid 12 and name hn ) (resid 11 and name ha ) 2.5 0.7 0.2 
assign (resid 12 and name hn ) (resid 12 and name ha ) 3.1 1.3 0.4
assign (resid 12 and name hn ) (resid 73 and name ha ) 3.5 1.7 1.8
assign (resid 12 and name hn ) (resid 11 and name hg# ) 5.1 3.3 0.2 
assign (resid 12 and name hn ) (resid 11 and name hb2 ) 3.2 1.4 0.3 
assign (resid 12 and name hn ) (resid 11 and name hb1 ) 3.6 1.8 1.7 
assign (resid 12 and name hn ) (resid 12 and name hb# ) 4.1 2.3 1.2
assign (resid 12 and name hn ) (resid 72 and name hg2# ) 5.6 3.8 0.9
assign (resid 12 and name hn ) (resid 74 and name hn ) 5.0 3.2 0.3
assign (resid 12 and name ha ) (resid 12 and name hb# ) 4.1 2.3 1.2  
assign (resid 12 and name ha ) (resid 27 and name ha ) 4.5 2.7 0.8  
!Thr 13
assign (resid 13 and name hn ) (resid 13 and name ha ) 3.3 1.5 0.2   
assign (resid 13 and name hn ) (resid 13 and name hb ) 3.0 1.2 0.5
assign (resid 13 and name hn ) (resid 26 and name hb2 ) 3.8 2.0 1.5 
assign (resid 13 and name hn ) (resid 26 and name hb1 ) 3.5 1.7 1.8
assign (resid 13 and name hn ) (resid 12 and name ha ) 2.5 0.7 0.2
assign (resid 13 and name hn ) (resid 12 and name hb# ) 3.8 2.0 1.5
assign (resid 13 and name hn ) (resid 25 and name hb2 ) 3.5 1.7 1.8
assign (resid 13 and name hn ) (resid 26 and name hn ) 3.1 1.3 0.4
assign (resid 13 and name hn ) (resid 13 and name hg2# ) 4.4 2.6 0.9  
assign (resid 13 and name hn ) (resid 72 and name hb ) 5.0 3.2 0.3
assign (resid 13 and name ha ) (resid 13 and name hg2# ) 4.0 2.2 1.3
assign (resid 13 and name ha ) (resid 14 and name hb2 ) 5.0 3.2 0.3    
assign (resid 13 and name ha ) (resid 13 and name hb ) 3.1 1.3 0.4    
assign (resid 13 and name ha ) (resid 72 and name hd1# ) 5.0 3.2 0.3
assign (resid 13 and name hb ) (resid 13 and name hg2# ) 3.8 2.0 1.5
assign (resid 13 and name hb ) (resid 26 and name hb1 ) 2.7 0.9 0.8
assign (resid 13 and name hb ) (resid 26 and name hb2 ) 4.0 2.2 1.3
!Leu 14
assign (resid 14 and name hn ) (resid 14 and name hd1# ) 4.6 2.8 0.7
assign (resid 14 and name hn ) (resid 72 and name hd1# ) 4.4 2.6 0.9 
assign (resid 14 and name hn ) (resid 14 and name hb1 ) 2.5 0.7 0.2 
assign (resid 14 and name hn ) (resid 14 and name hb2 ) 2.8 1.0 0.7
assign (resid 14 and name hn ) (resid 14 and name ha ) 2.9 1.1 0.6    
assign (resid 14 and name hn ) (resid 14 and name hg ) 4.0 2.2 1.3    
assign (resid 14 and name hn ) (resid 13 and name hb ) 4.5 2.7 0.8
assign (resid 14 and name hn ) (resid 13 and name ha ) 2.5 0.7 0.2
assign (resid 14 and name hn ) (resid 13 and name hn ) 4.5 2.7 0.8
assign (resid 14 and name hn ) (resid 15 and name hn ) 5.0 3.2 0.3
assign (resid 14 and name ha ) (resid 25 and name hd2# ) 4.0 2.2 1.3
assign (resid 14 and name ha ) (resid 14 and name hd1# ) 4.0 2.2 1.3 
assign (resid 14 and name ha ) (resid 14 and name hg ) 4.1 2.3 1.2
!Ile 15
assign (resid 15 and name hn ) (resid 16 and name hn ) 2.7 0.9 0.8    
assign (resid 15 and name hn ) (resid 25 and name ha ) 2.9 1.1 0.6      
assign (resid 15 and name hn ) (resid 14 and name ha ) 2.7 0.9 0.8     
assign (resid 15 and name hn ) (resid 15 and name hb ) 3.1 1.3 0.4       
assign (resid 15 and name hn ) (resid 15 and name hg11 ) 3.1 1.3 0.4
assign (resid 15 and name hn ) (resid 15 and name hg12 ) 4.3 2.5 1.0
assign (resid 15 and name hn ) (resid 15 and name hd1# ) 5.2 3.4 0.1 
assign (resid 15 and name hn ) (resid 15 and name hg2# ) 4.8 3.0 0.5
assign (resid 15 and name hn ) (resid 15 and name ha ) 3.4 1.6 0.1
assign (resid 15 and name hn ) (resid 14 and name hb2 ) 4.5 2.7 0.8 
assign (resid 15 and name hn ) (resid 14 and name hd1# ) 4.3 2.5 1.0 
assign (resid 15 and name hn ) (resid 24 and name hb1 ) 4.5 2.7 0.8
assign (resid 15 and name hn ) (resid 25 and name hb2 ) 5.0 3.2 0.3 
assign (resid 15 and name ha ) (resid 15 and name hd1# ) 4.7 2.9 0.6 
assign (resid 15 and name ha ) (resid 15 and name hg2# ) 4.3 2.5 1.0
!Lys 16
assign (resid 16 and name hn ) (resid 24 and name hb1 ) 2.7 0.9 0.8   
assign (resid 16 and name hn ) (resid 16 and name ha ) 3.5 1.7 1.8  
assign (resid 16 and name hn ) (resid 15 and name ha ) 4.0 2.2 1.3 
assign (resid 16 and name hn ) (resid 16 and name hb1 ) 2.8 1.0 0.7
assign (resid 16 and name hn ) (resid 15 and name hb ) 2.5 0.7 0.2        
assign (resid 16 and name hn ) (resid 15 and name hg11 ) 4.0 2.2 1.3 
assign (resid 16 and name hn ) (resid 14 and name hd1# ) 4.5 2.7 0.8
assign (resid 16 and name hn ) (resid 16 and name hb2 ) 3.5 1.7 1.8
assign (resid 16 and name hn ) (resid 25 and name ha ) 4.5 2.7 0.8
assign (resid 16 and name hn ) (resid 24 and name hn ) 3.3 1.5 0.2
assign (resid 16 and name hn ) (resid 15 and name hg2# ) 4.0 2.2 1.3 
assign (resid 16 and name hn ) (resid 14 and name ha ) 3.5 1.7 1.8
assign (resid 16 and name ha ) (resid 16 and name hb2 ) 3.0 1.2 0.5 
assign (resid 16 and name ha ) (resid 16 and name hb1 ) 4.0 2.2 1.3  
!Ala 17
assign (resid 17 and name hn ) (resid 17 and name ha ) 3.0 1.2 0.5            
assign (resid 17 and name hn ) (resid 16 and name hn ) 4.0 2.2 1.3    
assign (resid 17 and name hn ) (resid 18 and name hn ) 4.3 2.5 1.0    
assign (resid 17 and name hn ) (resid 16 and name hb1 ) 3.5 1.7 1.8
assign (resid 17 and name hn ) (resid 14 and name hg ) 4.5 2.7 0.8
assign (resid 17 and name hn ) (resid 66 and name hg2# ) 5.9 4.1 0.6
assign (resid 17 and name hn ) (resid 16 and name hd# ) 5.6 3.8 0.9
assign (resid 17 and name hn ) (resid 17 and name hb# ) 3.6 1.8 1.7
assign (resid 17 and name hn ) (resid 14 and name hd1# ) 4.9 3.1 0.4
assign (resid 17 and name hn ) (resid 14 and name hd2# ) 5.1 3.3 0.2
assign (resid 17 and name ha ) (resid 17 and name hb# ) 4.3 2.5 1.0
!Ile 18
assign (resid 18 and name hn ) (resid 17 and name ha ) 3.0 1.2 0.5   
assign (resid 18 and name hn ) (resid 22 and name hb ) 4.7 2.9 0.6
assign (resid 18 and name hn ) (resid 23 and name ha ) 4.5 2.7 0.8
assign (resid 18 and name hn ) (resid 18 and name ha ) 3.0 1.2 0.5
assign (resid 18 and name hn ) (resid 23 and name hg1# ) 4.1 2.3 1.2    
assign (resid 18 and name hn ) (resid 22 and name hg2# ) 5.4 3.6 1.1  
assign (resid 18 and name hn ) (resid 18 and name hb ) 2.8 1.0 0.7
assign (resid 18 and name hn ) (resid 17 and name hb# ) 4.5 2.7 0.8
assign (resid 18 and name hn ) (resid 18 and name hg12 ) 4.6 2.8 0.7
assign (resid 18 and name hn ) (resid 18 and name hg11 ) 2.7 0.9 0.8
assign (resid 18 and name hn ) (resid 19 and name ha ) 4.5 2.7 0.8
assign (resid 18 and name hn ) (resid 19 and name hn ) 2.9 1.1 0.6
assign (resid 18 and name hn ) (resid 24 and name hn ) 4.0 2.2 1.3
assign (resid 18 and name ha ) (resid 18 and name hb ) 3.0 1.2 0.5
assign (resid 18 and name ha ) (resid 18 and name hg11 ) 3.1 1.3 0.4
assign (resid 18 and name ha ) (resid 18 and name hg12 ) 2.3 0.5 0.4
!Asp 19
assign (resid 19 and name hn ) (resid 22 and name hn ) 3.2 1.4 0.3       
assign (resid 19 and name hn ) (resid 22 and name hb ) 3.5 1.7 1.8       
assign (resid 19 and name hn ) (resid 19 and name ha ) 3.4 1.6 0.1    
assign (resid 19 and name hn ) (resid 19 and name hb2 ) 3.5 1.7 1.8
assign (resid 19 and name hn ) (resid 19 and name hb1 ) 4.5 2.7 0.8  
assign (resid 19 and name hn ) (resid 18 and name ha ) 3.8 2.0 1.5   
assign (resid 19 and name hn ) (resid 18 and name hg2# ) 5.1 3.3 0.2
assign (resid 19 and name hn ) (resid 18 and name hg11 ) 5.0 3.2 0.3
assign (resid 19 and name hn ) (resid 17 and name hb# ) 5.0 3.2 0.3  
assign (resid 19 and name hn ) (resid 18 and name hb ) 2.8 1.0 0.7 
assign (resid 19 and name hn ) (resid 23 and name hg1# ) 5.4 3.6 1.1    
assign (resid 19 and name hn ) (resid 22 and name hg2# ) 5.5 3.7 1.0     
assign (resid 19 and name ha ) (resid 19 and name hb1 ) 2.8 1.0 0.7           
!Gly 20
assign (resid 20 and name hn ) (resid 20 and name ha1 ) 3.0 1.2 0.5  
assign (resid 20 and name hn ) (resid 20 and name ha2 ) 3.3 1.5 0.2
assign (resid 20 and name hn ) (resid 59 and name ha ) 4.5 2.7 0.8
assign (resid 20 and name hn ) (resid 58 and name hb# ) 6.0 4.2 0.5
assign (resid 20 and name hn ) (resid 21 and name hn ) 3.3 1.5 0.2 
assign (resid 20 and name hn ) (resid 19 and name hb2 ) 3.5 1.7 1.8  
assign (resid 20 and name hn ) (resid 19 and name hb1 ) 2.8 1.0 0.7  
assign (resid 20 and name hn ) (resid 19 and name ha ) 3.8 2.0 1.5
assign (resid 20 and name ha2 ) (resid 41 and name hg2# ) 5.6 3.8 0.9
assign (resid 20 and name hn ) (resid 44 and name hg2# ) 5.9 4.1 0.6
assign (resid 20 and name ha1 ) (resid 20 and name ha2 ) 2.7 0.9 0.8
assign (resid 20 and name ha1 ) (resid 103 and name hd1# ) 6.0 4.2 0.5
!Asp 21
assign (resid 21 and name hn ) (resid 22 and name hn ) 2.6 0.8 0.9
assign (resid 21 and name hn ) (resid 20 and name ha2 ) 3.9 2.1 1.4 
assign (resid 21 and name hn ) (resid 21 and name ha ) 3.1 1.3 0.4
assign (resid 21 and name hn ) (resid 20 and name ha1 ) 3.4 1.6 0.1 
assign (resid 21 and name hn ) (resid 21 and name hb# ) 3.7 1.9 1.6
assign (resid 21 and name ha ) (resid 36 and name hd1# ) 4.3 2.5 1.0 
!Thr 22
assign (resid 22 and name hn ) (resid 22 and name hg2# ) 5.5 3.7 1.0 
assign (resid 22 and name hn ) (resid 23 and name hg1# ) 4.9 3.1 0.4 
assign (resid 22 and name hn ) (resid 22 and name hb ) 3.1 1.3 0.4 
assign (resid 22 and name hn ) (resid 18 and name hb ) 4.2 2.4 1.1  
assign (resid 22 and name hn ) (resid 22 and name ha ) 3.3 1.5 0.2
assign (resid 22 and name hn ) (resid 21 and name ha ) 3.4 1.6 0.1  
assign (resid 22 and name hn ) (resid 21 and name hb# ) 5.7 3.9 0.8   
assign (resid 22 and name hn ) (resid 18 and name hn ) 4.8 3.0 0.5
assign (resid 22 and name hn ) (resid 20 and name hn ) 4.5 2.7 0.8 
assign (resid 22 and name hn ) (resid 23 and name hn ) 4.1 2.3 1.2 
assign (resid 22 and name hn ) (resid 62 and name hg2# ) 5.5 3.7 1.0
assign (resid 22 and name ha ) (resid 22 and name hb ) 3.0 1.2 0.5    
assign (resid 22 and name ha ) (resid 35 and name ha ) 2.7 0.9 0.8 
assign (resid 22 and name ha ) (resid 36 and name hb2 ) 5.5 3.7 1.0 
assign (resid 22 and name ha ) (resid 22 and name hg2# ) 4.2 2.4 1.1
assign (resid 22 and name ha ) (resid 23 and name hg2# ) 5.0 3.2 0.3
assign (resid 22 and name ha ) (resid 33 and name hg2# ) 5.9 4.1 0.6
!Val 23
assign (resid 23 and name hn ) (resid 22 and name ha ) 2.5 0.7 0.2   
assign (resid 23 and name hn ) (resid 23 and name hb ) 4.7 2.9 0.6 
assign (resid 23 and name hn ) (resid 22 and name hg2# ) 4.8 3.0 0.5
assign (resid 23 and name hn ) (resid 23 and name hg2# ) 4.2 2.4 1.1  
assign (resid 23 and name hn ) (resid 23 and name hg1# ) 4.2 2.4 1.1 
assign (resid 23 and name hn ) (resid 33 and name hg2# ) 5.0 3.2 0.3
assign (resid 23 and name hn ) (resid 19 and name hn ) 5.1 3.3 0.2  
assign (resid 23 and name hn ) (resid 18 and name hn ) 4.6 2.8 0.7  
assign (resid 23 and name ha ) (resid 18 and name hb ) 3.5 1.7 1.8  
assign (resid 23 and name ha ) (resid 17 and name hb# ) 4.6 2.8 0.7 
assign (resid 23 and name ha ) (resid 23 and name hg2# ) 5.2 3.4 0.1    
assign (resid 23 and name ha ) (resid 23 and name hg1# ) 4.9 3.1 0.4    
assign (resid 23 and name ha ) (resid 23 and name hb ) 2.7 0.9 0.8  
!Lys 24
assign (resid 24 and name hn ) (resid 17 and name ha ) 4.0 2.2 1.3      
assign (resid 24 and name hn ) (resid 23 and name ha ) 3.5 1.7 1.8  
assign (resid 24 and name hn ) (resid 24 and name ha ) 3.3 1.5 0.2 
assign (resid 24 and name hn ) (resid 15 and name hn ) 3.6 1.8 1.7 
assign (resid 24 and name hn ) (resid 15 and name hg2# ) 6.0 4.2 0.5 
assign (resid 24 and name hn ) (resid 23 and name hn ) 4.0 2.2 1.3
assign (resid 24 and name hn ) (resid 23 and name hb ) 2.8 1.0 0.7
assign (resid 24 and name hn ) (resid 24 and name hb1 ) 2.8 1.0 0.7 
assign (resid 24 and name hn ) (resid 24 and name hg# ) 4.6 2.8 0.7 
assign (resid 24 and name hn ) (resid 24 and name hb2 ) 3.0 1.2 0.5 
assign (resid 24 and name hn ) (resid 18 and name hg11 ) 5.0 3.2 0.3
assign (resid 24 and name hn ) (resid 14 and name hd1# ) 5.3 3.5 1.2 
assign (resid 24 and name hn ) (resid 22 and name hg2# ) 6.0 4.2 0.5
assign (resid 24 and name hn ) (resid 23 and name hg2# ) 4.3 2.5 1.0 
assign (resid 24 and name hn ) (resid 23 and name hg1# ) 4.7 2.9 0.6  
assign (resid 24 and name ha ) (resid 24 and name hb2 ) 3.0 1.2 0.5 
assign (resid 24 and name ha ) (resid 24 and name hb1 ) 3.5 1.7 1.8 
assign (resid 24 and name ha ) (resid 15 and name hb ) 4.0 2.2 1.3        
assign (resid 24 and name ha ) (resid 33 and name ha ) 5.0 3.2 0.3        
!Leu 25
assign (resid 25 and name hn ) (resid 25 and name ha ) 3.5 1.7 1.8  
assign (resid 25 and name hn ) (resid 31 and name ha ) 3.7 1.9 1.6  
assign (resid 25 and name hn ) (resid 24 and name ha ) 2.7 0.9 0.8
assign (resid 25 and name hn ) (resid 34 and name hd1 ) 3.6 1.8 1.7
assign (resid 25 and name hn ) (resid 24 and name hb2 ) 4.8 3.0 0.5 
assign (resid 25 and name hn ) (resid 25 and name hb2 ) 3.3 1.5 0.2 
assign (resid 25 and name hn ) (resid 25 and name hb1 ) 4.0 2.2 1.3 
assign (resid 25 and name hn ) (resid 25 and name hd1# ) 5.5 3.7 1.0 
assign (resid 25 and name hn ) (resid 25 and name hd2# ) 5.0 3.2 0.3   
assign (resid 25 and name hn ) (resid 24 and name hg# ) 3.9 2.1 1.4
assign (resid 25 and name hn ) (resid 23 and name hg2# ) 5.7 3.9 0.8 
assign (resid 25 and name hn ) (resid 24 and name hb1 ) 3.8 2.0 1.5 
assign (resid 25 and name hn ) (resid 32 and name hn ) 3.2 1.4 0.3
assign (resid 25 and name hn ) (resid 25 and name hg ) 3.1 1.3 0.4
assign (resid 25 and name ha ) (resid 14 and name ha ) 2.9 1.1 0.6
assign (resid 25 and name ha ) (resid 12 and name hb# ) 6.0 4.2 0.5
assign (resid 25 and name ha ) (resid 25 and name hb1 ) 2.7 0.9 0.8
assign (resid 25 and name ha ) (resid 25 and name hg ) 2.9 1.1 0.6
assign (resid 25 and name ha ) (resid 25 and name hb2 ) 3.3 1.5 0.2 
assign (resid 25 and name ha ) (resid 25 and name hd1# ) 4.4 2.6 0.9  
assign (resid 25 and name ha ) (resid 25 and name hd2# ) 3.7 1.9 1.6 
assign (resid 25 and name ha ) (resid 14 and name hd1# ) 5.0 3.2 0.3 
assign (resid 25 and name hd1# ) (resid 12 and name hb# ) 5.3 3.5 1.2
assign (resid 25 and name hd1# ) (resid 25 and name hg ) 3.3 1.5 0.2  
assign (resid 25 and name hd1# ) (resid 25 and name hb2 ) 3.9 2.1 1.4   
assign (resid 25 and name hd1# ) (resid 25 and name hd2# ) 4.9 3.1 0.4
assign (resid 25 and name hd1# ) (resid 92 and name hg11 ) 5.0 3.2 0.3
assign (resid 25 and name hd1# ) (resid 25 and name hb1 ) 3.9 2.1 1.4  
assign (resid 25 and name hd1# ) (resid 92 and name hd1# ) 5.4 3.6 1.1
assign (resid 25 and name hd1# ) (resid 92 and name hg2# ) 6.0 4.2 0.5
assign (resid 25 and name hd1# ) (resid 74 and name hg2# ) 6.0 4.2 0.5 
!Met 26
assign (resid 26 and name hn ) (resid 15 and name hn ) 4.0 2.2 1.3 
assign (resid 26 and name hn ) (resid 25 and name ha ) 2.9 1.1 0.6
assign (resid 26 and name hn ) (resid 14 and name ha ) 4.2 3.4 1.1
assign (resid 26 and name hn ) (resid 26 and name ha ) 4.0 3.2 1.3
assign (resid 26 and name hn ) (resid 26 and name hb1 ) 3.2 1.4 0.3 
assign (resid 26 and name hn ) (resid 13 and name hg2# ) 5.3 3.5 1.2
assign (resid 26 and name hn ) (resid 25 and name hd2# ) 5.5 3.7 1.0 
assign (resid 26 and name hn ) (resid 25 and name hg ) 5.0 3.2 0.3
assign (resid 26 and name hn ) (resid 26 and name hb2 ) 3.3 1.5 0.2 
assign (resid 26 and name hn ) (resid 25 and name hb2 ) 3.6 1.8 1.7        
assign (resid 26 and name hn ) (resid 15 and name hb ) 4.0 2.2 1.3
assign (resid 26 and name hn ) (resid 15 and name hg12 ) 4.1 2.3 1.2
assign (resid 26 and name hn ) (resid 15 and name hd1# ) 5.8 4.0 0.7 
assign (resid 26 and name ha ) (resid 26 and name he# ) 4.6 2.8 0.7
assign (resid 26 and name ha ) (resid 26 and name hb2 ) 2.7 0.9 0.8 
assign (resid 26 and name ha ) (resid 26 and name hb1 ) 2.8 1.0 0.7 
assign (resid 26 and name ha ) (resid 26 and name hg1 ) 3.4 1.6 0.1 
assign (resid 26 and name ha ) (resid 26 and name hg2 ) 4.5 2.8 0.8 
assign (resid 26 and name ha ) (resid 15 and name hd1# ) 4.8 3.0 0.5
!Tyr 27
assign (resid 27 and name hn ) (resid 30 and name hn ) 3.2 1.4 0.3 
assign (resid 27 and name hn ) (resid 29 and name hn ) 4.0 2.2 1.3
assign (resid 27 and name hn ) (resid 27 and name hd2 ) 4.7 2.9 0.6 
assign (resid 27 and name hn ) (resid 27 and name ha ) 3.1 1.3 0.4
assign (resid 27 and name hn ) (resid 26 and name ha ) 2.5 0.7 0.2
assign (resid 27 and name hn ) (resid 27 and name hb2 ) 3.3 1.5 0.2 
assign (resid 27 and name hn ) (resid 27 and name hb1 ) 3.0 1.2 0.5 
assign (resid 27 and name hn ) (resid 30 and name hb1 ) 5.5 3.7 1.0 
assign (resid 27 and name hn ) (resid 30 and name hb2 ) 5.0 3.2 0.3 
assign (resid 27 and name hn ) (resid 26 and name hb2 ) 4.4 2.6 0.9 
assign (resid 27 and name hn ) (resid 12 and name hb# ) 6.0 4.2 0.5   
assign (resid 27 and name hn ) (resid 26 and name hn ) 4.8 3.0 0.5
assign (resid 27 and name hn ) (resid 15 and name hd1# ) 5.5 3.7 1.0
assign (resid 27 and name ha ) (resid 26 and name ha ) 3.6 1.8 1.7
assign (resid 27 and name ha ) (resid 27 and name hb1 ) 3.3 1.5 0.2 
assign (resid 27 and name ha ) (resid 27 and name hb2 ) 2.7 0.9 0.8 
assign (resid 27 and name ha ) (resid 12 and name hb# ) 3.6 1.8 1.7 
assign (resid 27 and name he1 ) (resid 10 and name hb2 ) 2.7 0.9 0.8 
assign (resid 27 and name he2 ) (resid 28 and name hb1 ) 5.5 3.7 1.0 
assign (resid 27 and name he1 ) (resid 76 and name hd1 ) 6.0 4.2 0.5
assign (resid 27 and name he1 ) (resid 74 and name hg2# ) 4.3 2.5 1.0 
assign (resid 27 and name he2 ) (resid 27 and name hd2 ) 2.3 0.5 0.4
assign (resid 27 and name he1 ) (resid 74 and name hb ) 5.3 3.5 1.2
assign (resid 27 and name he1 ) (resid 10 and name hb1 ) 4.5 2.7 0.8 
assign (resid 27 and name he1 ) (resid 28 and name hn ) 4.5 2.7 0.8
assign (resid 27 and name hd1 ) (resid 74 and name hg1# ) 5.7 3.9 0.8 
assign (resid 27 and name hd1 ) (resid 74 and name hg2# ) 4.9 3.1 0.4 
assign (resid 27 and name hd# ) (resid 27 and name hb2 ) 2.8 1.0 0.7  
assign (resid 27 and name hd# ) (resid 27 and name hb1 ) 2.9 1.1 0.6 
assign (resid 27 and name hd1 ) (resid 27 and name ha ) 2.8 1.0 0.7
assign (resid 27 and name hd1 ) (resid 28 and name hn ) 3.4 1.6 0.1
assign (resid 27 and name hd1 ) (resid 12 and name hb# ) 4.6 2.8 0.7
assign (resid 27 and name hd2 ) (resid 32 and name hb2 ) 4.1 2.3 1.2   
assign (resid 27 and name hd2 ) (resid 30 and name hg# ) 4.8 3.0 0.5
assign (resid 27 and name hd2 ) (resid 34 and name hz ) 3.5 1.7 1.8
!Lys 28
assign (resid 28 and name hn ) (resid 27 and name hb2 ) 4.0 2.2 1.3 
assign (resid 28 and name hn ) (resid 27 and name hd1 ) 3.5 1.7 1.8
assign (resid 28 and name hn ) (resid 29 and name hn ) 2.9 1.1 0.6
assign (resid 28 and name hn ) (resid 27 and name hn ) 4.0 2.2 1.3
assign (resid 28 and name hn ) (resid 30 and name hn ) 3.9 2.1 1.4
assign (resid 28 and name hn ) (resid 27 and name ha ) 2.4 0.6 0.3 
assign (resid 28 and name hn ) (resid 28 and name ha ) 2.4 0.6 0.3 
assign (resid 28 and name hn ) (resid 28 and name hb1 ) 3.9 2.1 1.4 
assign (resid 28 and name hn ) (resid 28 and name hb2 ) 3.3 1.5 0.2 
assign (resid 28 and name hn ) (resid 28 and name hg1 ) 3.3 1.5 0.2
assign (resid 28 and name hn ) (resid 28 and name hd# ) 4.6 2.8 0.7 
assign (resid 28 and name hn ) (resid 27 and name hb1 ) 4.1 2.3 1.2  
assign (resid 28 and name hn ) (resid 27 and name he1 ) 4.8 3.0 0.5
assign (resid 28 and name ha ) (resid 28 and name hb1 ) 2.4 0.6 0.3 
assign (resid 28 and name ha ) (resid 28 and name hb2 ) 2.9 1.1 0.6 
assign (resid 28 and name ha ) (resid 28 and name hd# ) 4.6 2.8 0.7
assign (resid 28 and name ha ) (resid 28 and name hg1 ) 3.0 1.2 0.5
assign (resid 28 and name hb2 ) (resid 28 and name hg1 ) 2.9 1.1 0.6
!Gly 29
assign (resid 29 and name hn ) (resid 29 and name ha2 ) 2.3 0.5 0.4          
assign (resid 29 and name hn ) (resid 28 and name ha ) 2.7 0.9 0.8           
assign (resid 29 and name hn ) (resid 29 and name ha1 ) 2.7 0.9 0.8
assign (resid 29 and name hn ) (resid 27 and name ha ) 4.1 2.3 1.2
assign (resid 29 and name hn ) (resid 30 and name hn ) 3.0 1.2 0.5 
assign (resid 29 and name hn ) (resid 28 and name hb1 ) 4.1 2.3 1.2 
assign (resid 29 and name hn ) (resid 26 and name hg2 ) 4.6 2.8 0.7 
assign (resid 29 and name hn ) (resid 28 and name hg# ) 4.9 3.1 0.4 
assign (resid 29 and name hn ) (resid 28 and name hb2 ) 4.5 2.7 0.8 
assign (resid 29 and name hn ) (resid 28 and name hg1 ) 5.0 3.2 0.3
!Gln 30
assign (resid 30 and name hn ) (resid 26 and name ha ) 3.9 2.1 1.4           
assign (resid 30 and name hn ) (resid 30 and name ha ) 3.3 1.5 0.2
assign (resid 30 and name hn ) (resid 30 and name hb1 ) 3.4 1.6 0.1  
assign (resid 30 and name hn ) (resid 30 and name hb2 ) 3.8 2.0 1.5 
assign (resid 30 and name hn ) (resid 30 and name hg# ) 3.4 1.6 0.1 
assign (resid 30 and name hn ) (resid 29 and name ha2 ) 2.9 1.1 0.6 
assign (resid 30 and name hn ) (resid 29 and name ha1 ) 3.8 2.0 1.5 
assign (resid 30 and name hn ) (resid 28 and name hb1 ) 4.5 2.7 0.8 
assign (resid 30 and name hn ) (resid 28 and name hb2 ) 4.5 2.7 0.8 
assign (resid 30 and name hn ) (resid 27 and name hb1 ) 4.5 2.7 0.8
assign (resid 30 and name ha ) (resid 30 and name hb2 ) 2.5 0.7 0.2  
assign (resid 30 and name ha ) (resid 30 and name hb1 ) 2.8 1.0 0.7  
!Pro 31
assign (resid 31 and name ha ) (resid 31 and name hb2 ) 2.8 1.0 0.7 
assign (resid 31 and name ha ) (resid 31 and name hb1 ) 2.5 0.7 0.2 
assign (resid 31 and name hd2 ) (resid 30 and name ha ) 2.7 0.9 0.8 
!Met 32
assign (resid 32 and name hn ) (resid 27 and name hn ) 4.2 2.4 1.1
assign (resid 32 and name hn ) (resid 15 and name hd1# ) 4.5 2.7 0.8
assign (resid 32 and name hn ) (resid 31 and name ha ) 2.5 0.7 0.2
assign (resid 32 and name hn ) (resid 31 and name hb2 ) 3.6 1.8 1.7 
assign (resid 32 and name hn ) (resid 32 and name hb2 ) 2.8 1.0 0.7 
assign (resid 32 and name hn ) (resid 32 and name hb1 ) 3.5 1.7 1.8 
assign (resid 32 and name ha ) (resid 32 and name hb2 ) 3.2 1.4 0.3 
assign (resid 32 and name ha ) (resid 32 and name hb1 ) 2.8 1.0 0.7 
assign (resid 32 and name ha ) (resid 32 and name hg1 ) 3.6 1.8 1.7 
!Thr 33
assign (resid 33 and name hn ) (resid 32 and name ha ) 3.3 1.5 0.2
assign (resid 33 and name hn ) (resid 32 and name hn ) 4.5 2.7 0.8
assign (resid 33 and name hn ) (resid 33 and name ha ) 4.4 2.6 0.9
assign (resid 33 and name hn ) (resid 32 and name hg1 ) 4.3 2.5 1.0  
assign (resid 33 and name hn ) (resid 32 and name hb2 ) 4.0 2.2 1.3  
assign (resid 33 and name hn ) (resid 32 and name hb1 ) 2.8 1.0 0.7  
assign (resid 33 and name hn ) (resid 33 and name hb ) 2.8 1.0 0.7
assign (resid 33 and name hn ) (resid 33 and name hg2# ) 5.4 3.6 1.1 
assign (resid 33 and name hn ) (resid 87 and name hb1 ) 5.5 3.7 1.0 
assign (resid 33 and name hn ) (resid 32 and name he# ) 5.7 3.9 0.8 
assign (resid 33 and name hn ) (resid 32 and name hg# ) 4.5 2.7 0.8         
assign (resid 33 and name hb ) (resid 33 and name hg2# ) 4.2 2.4 1.1
!Phe 34
assign (resid 34 and name hn ) (resid 34 and name ha ) 3.0 1.2 0.5 
assign (resid 34 and name hn ) (resid 22 and name ha ) 4.5 2.7 0.8
assign (resid 34 and name hn ) (resid 24 and name ha ) 3.9 2.1 1.4
assign (resid 34 and name hn ) (resid 34 and name hd1 ) 3.0 1.2 0.5
assign (resid 34 and name hn ) (resid 23 and name hn ) 3.5 1.7 1.8
assign (resid 34 and name hn ) (resid 34 and name hb1 ) 3.6 1.8 1.7 
assign (resid 34 and name hn ) (resid 34 and name hb2 ) 3.0 1.2 0.5 
assign (resid 34 and name hn ) (resid 23 and name hg2# ) 4.8 3.0 0.5 
assign (resid 34 and name hn ) (resid 33 and name hg2# ) 4.7 2.9 0.6
assign (resid 34 and name hn ) (resid 22 and name hg2# ) 5.5 3.7 1.0
assign (resid 34 and name hn ) (resid 24 and name hg1 ) 5.0 3.2 0.3         
assign (resid 34 and name ha ) (resid 34 and name hb1 ) 2.8 1.0 0.7 
assign (resid 34 and name ha ) (resid 34 and name hb2 ) 3.5 1.7 1.8 
assign (resid 34 and name he2 ) (resid 74 and name hg1# ) 4.7 2.9 0.6  
assign (resid 34 and name he2 ) (resid 74 and name hg2# ) 5.4 3.6 1.1  
assign (resid 34 and name he2 ) (resid 74 and name hb ) 3.5 1.7 1.8
assign (resid 34 and name he1 ) (resid 25 and name hd1# ) 4.5 2.7 0.8 
assign (resid 34 and name he2 ) (resid 90 and name hb# ) 3.9 2.1 1.4  
assign (resid 34 and name he2 ) (resid 92 and name hd1# ) 5.8 4.0 0.7  
assign (resid 34 and name he1 ) (resid 25 and name hb2 ) 2.7 0.9 0.8  
assign (resid 34 and name hd1 ) (resid 25 and name hb2 ) 2.7 0.9 0.8  
assign (resid 34 and name he1 ) (resid 32 and name hb1 ) 3.5 1.7 1.8 
assign (resid 34 and name he1 ) (resid 32 and name hb2 ) 2.6 0.8 0.1 
assign (resid 34 and name he2 ) (resid 88 and name hn ) 5.3 3.5 1.2
assign (resid 34 and name hd# ) (resid 34 and name ha ) 3.5 1.7 1.8  
assign (resid 34 and name hd2 ) (resid 88 and name ha1 ) 3.5 1.7 1.8    
assign (resid 34 and name hd2 ) (resid 88 and name hn ) 5.0 3.2 0.3  
assign (resid 34 and name hd1 ) (resid 32 and name he# ) 5.7 3.9 0.8
assign (resid 34 and name hd1 ) (resid 32 and name hb2 ) 5.0 3.2 0.3 
assign (resid 34 and name hd1 ) (resid 32 and name hb1 ) 4.0 2.2 1.3 
assign (resid 34 and name hd# ) (resid 34 and name hb2 ) 2.9 1.1 0.6 
assign (resid 34 and name hd# ) (resid 34 and name hb1 ) 2.7 0.9 0.8 
assign (resid 34 and name hd2 ) (resid 92 and name hg12 ) 5.0 3.2 0.3
assign (resid 34 and name hd2 ) (resid 92 and name hd1# ) 4.6 2.8 0.7
assign (resid 34 and name hd1 ) (resid 25 and name hd1# ) 4.5 2.7 0.8  
assign (resid 34 and name hd2 ) (resid 90 and name hb# ) 3.9 2.1 1.4 
assign (resid 34 and name hd1 ) (resid 25 and name hg ) 2.7 0.9 0.8
assign (resid 34 and name hd1 ) (resid 25 and name hb1 ) 4.0 2.2 1.3
assign (resid 34 and name he1 ) (resid 25 and name hb1 ) 4.0 2.2 1.3
assign (resid 34 and name hd2 ) (resid 76 and name he2 ) 4.5 2.7 0.8
assign (resid 34 and name hz ) (resid 74 and name hg1# ) 5.5 3.7 1.0 
assign (resid 34 and name hz ) (resid 74 and name hg2# ) 5.6 3.8 0.9
assign (resid 34 and name hz ) (resid 27 and name hb1 ) 4.0 2.2 1.3 
assign (resid 34 and name hz ) (resid 27 and name hb2 ) 3.6 1.8 1.7 
assign (resid 34 and name hz ) (resid 34 and name he2 ) 2.4 0.6 0.3         
assign (resid 34 and name hz ) (resid 90 and name hb# ) 6.0 4.2 0.5
assign (resid 34 and name hz ) (resid 76 and name hz ) 3.2 1.4 0.3
assign (resid 34 and name hz ) (resid 27 and name hd2 ) 3.7 1.9 1.6
assign (resid 34 and name he1 ) (resid 27 and name ha ) 5.0 3.2 0.3       
assign (resid 34 and name he1 ) (resid 27 and name hb2 ) 3.5 1.7 1.8     
assign (resid 34 and name hd2 ) (resid 74 and name hg1# ) 5.5 3.7 1.0    
!Arg 35
assign (resid 35 and name hn ) (resid 35 and name hb2 ) 3.3 1.5 0.2 
assign (resid 35 and name hn ) (resid 34 and name hb1 ) 4.2 2.4 1.1 
assign (resid 35 and name hn ) (resid 34 and name ha ) 3.0 1.2 0.5
assign (resid 35 and name hn ) (resid 35 and name ha ) 3.7 1.9 1.6
assign (resid 35 and name hn ) (resid 34 and name hd# ) 4.3 2.5 1.0
assign (resid 35 and name hn ) (resid 89 and name ha ) 4.0 2.2 1.3
assign (resid 35 and name hn ) (resid 90 and name hn ) 3.5 1.7 1.8
assign (resid 35 and name hn ) (resid 35 and name hg# ) 4.6 2.8 0.7  
assign (resid 35 and name ha ) (resid 35 and name hb2 ) 2.6 0.8 0.1  
assign (resid 35 and name ha ) (resid 35 and name hb1 ) 2.8 1.0 0.7  
assign (resid 35 and name hn ) (resid 33 and name hg2# ) 5.7 3.9 0.8
!Leu 36
assign (resid 36 and name hn ) (resid 36 and name hd* ) 5.3 3.5 1.2       
assign (resid 36 and name hn ) (resid 35 and name ha ) 2.7 0.9 0.8 
assign (resid 36 and name hn ) (resid 36 and name ha ) 2.7 0.9 0.8 
assign (resid 36 and name hn ) (resid 36 and name hg ) 2.5 0.7 0.2 
assign (resid 36 and name hn ) (resid 36 and name hb1 ) 3.5 1.7 1.8 
assign (resid 36 and name hn ) (resid 36 and name hb2 ) 2.6 0.8 0.1 
assign (resid 36 and name hn ) (resid 21 and name ha ) 4.1 2.3 1.2
assign (resid 36 and name hn ) (resid 22 and name ha ) 4.0 2.2 1.3
assign (resid 36 and name hn ) (resid 35 and name hb2 ) 4.1 2.3 1.2 
assign (resid 36 and name ha ) (resid 36 and name hd2# ) 4.6 2.8 0.7    
assign (resid 36 and name ha ) (resid 36 and name hd1# ) 4.6 2.8 0.7    
assign (resid 36 and name ha ) (resid 36 and name hb1 ) 2.7 0.9 0.8 
assign (resid 36 and name ha ) (resid 36 and name hb2 ) 3.3 1.5 0.2 
assign (resid 36 and name ha ) (resid 36 and name hg ) 3.4 1.6 0.1     
!Leu 37
assign (resid 37 and name hn ) (resid 36 and name ha ) 2.9 1.1 0.6 
assign (resid 37 and name hn ) (resid 37 and name ha ) 3.0 1.2 0.5
assign (resid 37 and name hn ) (resid 37 and name hg ) 3.5 1.7 1.8
assign (resid 37 and name hn ) (resid 37 and name hd2# ) 5.2 3.4 0.1 
assign (resid 37 and name hn ) (resid 37 and name hd1# ) 4.7 2.9 0.6 
assign (resid 37 and name hn ) (resid 37 and name hb1 ) 4.0 2.2 1.3 
assign (resid 37 and name hn ) (resid 37 and name hb2 ) 2.7 0.9 0.8 
assign (resid 37 and name hn ) (resid 36 and name hd2# ) 4.2 2.4 1.1
assign (resid 37 and name hn ) (resid 36 and name hd1# ) 6.0 4.2 0.5 
assign (resid 37 and name hn ) (resid 36 and name hb1 ) 4.9 3.1 0.4
assign (resid 37 and name hn ) (resid 36 and name hg ) 5.3 3.5 1.2
assign (resid 37 and name hn ) (resid 90 and name hn ) 3.0 1.2 0.5
assign (resid 37 and name hn ) (resid 91 and name he1 ) 5.3 3.5 1.2
assign (resid 37 and name hn ) (resid 38 and name hn ) 4.8 3.0 0.5
assign (resid 37 and name hn ) (resid 100 and name hd22 ) 3.6 1.8 1.7
assign (resid 37 and name hn ) (resid 100 and name hd21 ) 3.5 1.7 1.8
assign (resid 37 and name ha ) (resid 37 and name hg ) 3.0 1.2 0.5
assign (resid 37 and name ha ) (resid 37 and name hd2# ) 4.0 2.2 1.3 
assign (resid 37 and name ha ) (resid 37 and name hb2 ) 3.1 1.3 0.4 
assign (resid 37 and name ha ) (resid 37 and name hb1 ) 2.8 1.0 0.7 
assign (resid 37 and name ha ) (resid 37 and name hd1# ) 5.3 3.5 1.2 
assign (resid 37 and name hd1# ) (resid 37 and name hg ) 4.3 2.5 1.0 
!Leu 38
assign (resid 38 and name hn ) (resid 38 and name ha ) 2.5 0.7 0.2
assign (resid 38 and name hn ) (resid 37 and name ha ) 2.4 0.6 0.3
assign (resid 38 and name hn ) (resid 38 and name hb2 ) 3.9 2.1 1.4 
assign (resid 38 and name hn ) (resid 37 and name hg ) 4.6 2.8 0.7
assign (resid 38 and name hn ) (resid 38 and name hg ) 3.5 1.7 1.8
assign (resid 38 and name hn ) (resid 38 and name hd1# ) 5.5 3.7 1.0 
assign (resid 38 and name hn ) (resid 37 and name hd1# ) 5.2 3.4 1.3     
assign (resid 38 and name hn ) (resid 37 and name hd2# ) 4.6 3.6 0.7 
assign (resid 38 and name hn ) (resid 37 and name hb1 ) 3.0 1.2 0.5 
assign (resid 38 and name hn ) (resid 37 and name hb2 ) 3.7 1.9 1.6 
assign (resid 38 and name hn ) (resid 38 and name hb1 ) 5.0 3.2 0.3 
assign (resid 38 and name ha ) (resid 125 and name hd1# ) 6.0 4.2 0.5 
!Val 39
assign (resid 39 and name hn ) (resid 39 and name hg2# ) 3.9 2.1 1.4 
assign (resid 39 and name hn ) (resid 39 and name hg1# ) 4.2 2.4 1.1
assign (resid 39 and name hn ) (resid 39 and name ha ) 3.4 1.6 0.1  
assign (resid 39 and name hn ) (resid 38 and name ha ) 3.4 1.6 0.1
assign (resid 39 and name hn ) (resid 37 and name ha ) 3.7 1.9 1.6
assign (resid 39 and name hn ) (resid 112 and name hb# ) 4.9 3.1 0.4
assign (resid 39 and name hn ) (resid 38 and name hb2 ) 3.7 1.9 1.6  
assign (resid 39 and name hn ) (resid 40 and name hn ) 3.9 2.1 1.4
assign (resid 39 and name hn ) (resid 38 and name hn ) 3.0 1.2 0.5
assign (resid 39 and name hn ) (resid 37 and name hb1 ) 5.0 3.2 0.3       
assign (resid 39 and name hn ) (resid 38 and name hd2# ) 5.6 3.8 0.9 
assign (resid 39 and name ha ) (resid 111 and name ha ) 3.5 1.7 1.8 
assign (resid 39 and name ha ) (resid 111 and name hn ) 5.1 3.3 0.2 
assign (resid 39 and name ha ) (resid 39 and name hb ) 3.0 1.2 0.5
assign (resid 39 and name ha ) (resid 38 and name hb2 ) 5.0 3.2 0.3 
assign (resid 39 and name ha ) (resid 112 and name hb# ) 5.2 3.4 0.1
assign (resid 39 and name ha ) (resid 109 and name hb# ) 5.4 3.6 1.1
assign (resid 39 and name ha ) (resid 39 and name hg2# ) 4.7 2.9 0.6 
assign (resid 39 and name ha ) (resid 111 and name hg1# ) 5.3 3.5 1.2 
assign (resid 39 and name ha ) (resid 111 and name hg2# ) 5.5 3.7 1.0 
assign (resid 39 and name ha ) (resid 39 and name hg1# ) 4.4 2.6 0.9 
!Asp 40
assign (resid 40 and name hn ) (resid 39 and name ha ) 2.6 0.8 0.1  
assign (resid 40 and name hn ) (resid 112 and name hn ) 3.8 2.0 1.5
assign (resid 40 and name hn ) (resid 40 and name hb2 ) 3.4 1.6 0.1 
assign (resid 40 and name hn ) (resid 40 and name hb1 ) 3.5 1.7 1.8 
assign (resid 40 and name hn ) (resid 39 and name hg2# ) 4.8 3.0 0.5 
assign (resid 40 and name hn ) (resid 39 and name hg1# ) 4.8 3.0 0.5 
assign (resid 40 and name hn ) (resid 40 and name ha ) 3.1 1.3 0.4  
assign (resid 40 and name hn ) (resid 39 and name hb ) 2.7 0.9 0.8
assign (resid 40 and name ha ) (resid 40 and name hb2 ) 3.0 1.2 0.5 
assign (resid 40 and name hn ) (resid 112 and name hb# ) 4.6 2.8 0.7
assign (resid 40 and name hn ) (resid 109 and name hb# ) 4.8 3.0 0.5
!Thr 41
assign (resid 41 and name hn ) (resid 40 and name ha ) 3.2 1.4 0.3
assign (resid 41 and name hn ) (resid 41 and name ha ) 3.2 1.4 0.3  
assign (resid 41 and name hn ) (resid 41 and name hg2# ) 4.8 3.0 0.5
assign (resid 41 and name ha ) (resid 41 and name hg2# ) 4.4 2.6 0.9
assign (resid 41 and name ha ) (resid 109 and name ha ) 3.3 1.5 0.2
assign (resid 41 and name ha ) (resid 41 and name hb ) 2.6 0.8 0.1
assign (resid 41 and name ha ) (resid 109 and name hb# ) 5.5 3.7 1.0   
assign (resid 41 and name ha ) (resid 103 and name hb1 ) 5.8 4.0 0.7 
assign (resid 41 and name hb ) (resid 41 and name hg2# ) 4.3 2.5 1.0
assign (resid 41 and name hb ) (resid 58 and name hb# ) 4.3 2.5 1.0
!Pro 42
assign (resid 42 and name hd1 ) (resid 41 and name ha ) 5.6 3.8 0.9 
assign (resid 42 and name hd2 ) (resid 41 and name ha ) 5.5 3.7 1.0 
!Glu 43
assign (resid 43 and name hn ) (resid 43 and name ha ) 4.0 2.2 1.3 
assign (resid 43 and name hn ) (resid 43 and name hg# ) 4.3 2.3 1.0
!Thr 44
assign (resid 44 and name hn ) (resid 44 and name hb ) 3.5 1.7 1.8      
assign (resid 44 and name hn ) (resid 45 and name hn ) 3.5 1.7 1.8    
assign (resid 44 and name hn ) (resid 43 and name hb2 ) 4.0 2.2 1.3   
assign (resid 44 and name hn ) (resid 43 and name hb1 ) 3.6 1.8 1.7   
assign (resid 44 and name hn ) (resid 43 and name ha ) 3.0 1.2 0.5  
assign (resid 44 and name hn ) (resid 43 and name hg# ) 4.5 2.7 0.8  
assign (resid 44 and name hn ) (resid 44 and name hg2# ) 4.8 3.0 0.5 
assign (resid 44 and name hn ) (resid 45 and name ha ) 5.0 3.2 0.3   
assign (resid 44 and name hn ) (resid 44 and name ha ) 3.0 1.2 0.5    
assign (resid 44 and name ha ) (resid 44 and name hg2# ) 4.2 2.4 1.1    
assign (resid 44 and name hb ) (resid 44 and name ha ) 2.3 0.5 0.4
!Lys 45
!His 46
assign (resid 46 and name hn ) (resid 46 and name hb1 ) 3.8 2.0 1.5 
assign (resid 46 and name hn ) (resid 46 and name hb2 ) 3.5 1.7 1.8 
assign (resid 46 and name hn ) (resid 45 and name ha ) 3.2 1.4 0.3 
assign (resid 46 and name hn ) (resid 46 and name ha ) 3.5 1.7 1.8 
assign (resid 46 and name ha ) (resid 46 and name hb1 ) 2.7 0.9 0.8 
assign (resid 46 and name ha ) (resid 46 and name hb2 ) 2.7 0.9 0.8 
assign (resid 46 and name hd2 ) (resid 46 and name hb2 ) 3.1 1.3 0.4
assign (resid 46 and name hd2 ) (resid 46 and name hb1 ) 4.3 2.5 1.0
!Pro 47
assign (resid 47 and name hd1 ) (resid 46 and name ha ) 3.0 1.2 0.5
assign (resid 47 and name hd1 ) (resid 46 and name hn ) 5.3 3.5 1.2
assign (resid 47 and name ha ) (resid 47 and name hb2 ) 3.0 1.2 0.5
assign (resid 47 and name ha ) (resid 47 and name hg# ) 3.9 2.1 1.4
!Lys 48
assign (resid 48 and name hn ) (resid 48 and name ha ) 2.8 1.0 0.7 
assign (resid 48 and name hn ) (resid 48 and name hg# ) 5.8 4.0 0.7
assign (resid 48 and name hn ) (resid 48 and name hb# ) 4.8 3.0 0.5
assign (resid 48 and name hn ) (resid 48 and name hd# ) 5.0 3.2 0.3
assign (resid 48 and name hn ) (resid 49 and name hn ) 3.0 1.2 0.5
assign (resid 48 and name hn ) (resid 50 and name hn ) 3.8 2.0 1.5
!Lys 49
assign (resid 49 and name hn ) (resid 49 and name ha ) 2.7 0.9 0.8
assign (resid 49 and name hn ) (resid 48 and name ha ) 2.6 0.8 0.9
!Gly 50
assign (resid 50 and name hn ) (resid 51 and name hn ) 4.0 2.2 1.3   
assign (resid 50 and name hn ) (resid 50 and name ha2 ) 2.9 1.1 0.6 
assign (resid 50 and name hn ) (resid 50 and name ha1 ) 3.2 1.4 0.3
assign (resid 50 and name hn ) (resid 48 and name ha ) 5.1 3.3 0.2
assign (resid 50 and name hn ) (resid 49 and name hn ) 2.9 1.1 0.6
assign (resid 50 and name ha1 ) (resid 50 and name ha2 ) 2.4 0.6 0.3
assign (resid 50 and name hn ) (resid 49 and name ha ) 3.1 1.3 0.4
assign (resid 50 and name hn ) (resid 49 and name hb# ) 4.9 3.1 0.4
!Val 51
assign (resid 51 and name hn ) (resid 51 and name hg* ) 3.8 2.0 1.5
assign (resid 51 and name hn ) (resid 51 and name ha ) 2.7 0.9 0.8
assign (resid 51 and name hn ) (resid 50 and name ha2 ) 3.3 1.5 0.2 
assign (resid 51 and name hn ) (resid 51 and name hb ) 2.6 0.8 0.1
assign (resid 51 and name ha ) (resid 51 and name hg* ) 4.4 2.6 0.9
assign (resid 51 and name ha ) (resid 51 and name hb ) 3.0 1.2 0.5
!Glu 52
assign (resid 52 and name hn ) (resid 51 and name hn ) 4.1 2.3 1.2  
assign (resid 52 and name hn ) (resid 51 and name hg* ) 4.9 3.1 0.4
assign (resid 52 and name hn ) (resid 52 and name hb2 ) 2.7 0.9 0.8 
assign (resid 52 and name hn ) (resid 52 and name hb1 ) 3.5 1.7 1.8 
assign (resid 52 and name hn ) (resid 51 and name ha ) 2.6 0.8 0.1
assign (resid 52 and name hn ) (resid 52 and name ha ) 3.0 1.2 0.5
!Lys 53
assign (resid 53 and name hn ) (resid 52 and name ha ) 3.3 1.5 0.2 
!Tyr 54
assign (resid 54 and name hn ) (resid 53 and name ha ) 2.8 1.0 0.7       
assign (resid 54 and name hn ) (resid 54 and name ha ) 3.5 1.7 1.8       
assign (resid 54 and name hn ) (resid 54 and name hd# ) 4.0 2.2 1.3      
assign (resid 54 and name he2 ) (resid 54 and name hd2 ) 2.3 0.5 0.4
assign (resid 54 and name he1 ) (resid 108 and name hd2# ) 5.7 3.9 0.8 
assign (resid 54 and name he2 ) (resid 139 and name ha ) 3.2 1.4 0.3
assign (resid 54 and name he1 ) (resid 138 and name hb1 ) 3.6 1.8 1.7
assign (resid 54 and name he1 ) (resid 138 and name ha ) 3.2 1.4 0.3
assign (resid 54 and name he2 ) (resid 53 and name hb2 ) 5.6 3.8 0.9 
assign (resid 54 and name hd2 ) (resid 139 and name hd1# ) 6.0 4.2 0.5  
assign (resid 54 and name hd2 ) (resid 139 and name hg2# ) 5.4 3.6 1.1 
assign (resid 54 and name hd2 ) (resid 139 and name hg1# ) 4.3 2.5 1.0
assign (resid 54 and name hd1 ) (resid 108 and name hd2# ) 4.7 2.9 0.6 
assign (resid 54 and name hd1 ) (resid 54 and name ha ) 2.9 1.1 0.6    
assign (resid 54 and name hd# ) (resid 54 and name hb2 ) 2.9 1.1 0.6 
assign (resid 54 and name hd# ) (resid 54 and name hb1 ) 3.8 2.0 1.5 
!Gly 55
assign (resid 55 and name hn ) (resid 55 and name ha1 ) 3.0 1.2 0.5 
assign (resid 55 and name hn ) (resid 55 and name ha2 ) 3.0 1.2 0.5 
assign (resid 55 and name hn ) (resid 44 and name hg2# ) 5.9 4.1 0.6 
assign (resid 55 and name hn ) (resid 54 and name hn ) 2.9 1.1 0.6
assign (resid 55 and name hn ) (resid 51 and name hg1# ) 5.3 3.5 1.2
!Pro 56
!Glu 57
!Ala 58
assign (resid 58 and name hn ) (resid 59 and name hn ) 2.9 1.1 0.6    
assign (resid 58 and name hn ) (resid 60 and name hn ) 4.5 2.7 0.8   
assign (resid 58 and name hn ) (resid 61 and name hn ) 5.0 3.2 0.3  
assign (resid 58 and name hn ) (resid 58 and name hb# ) 4.3 2.5 1.0
assign (resid 58 and name hn ) (resid 58 and name ha ) 3.3 1.5 0.2 
assign (resid 58 and name hn ) (resid 108 and name hd2# ) 5.3 3.5 1.2 
assign (resid 58 and name hn ) (resid 57 and name hg# ) 5.8 4.0 0.7 
assign (resid 58 and name ha ) (resid 61 and name hb1 ) 2.9 1.1 0.6 
assign (resid 58 and name ha ) (resid 58 and name hb# ) 4.2 2.4 1.1 
assign (resid 58 and name ha ) (resid 108 and name hd1# ) 5.0 3.2 0.3 
!Ser 59
assign (resid 59 and name hn ) (resid 59 and name ha ) 3.0 1.2 0.5     
assign (resid 59 and name hn ) (resid 58 and name ha ) 3.9 2.1 1.4    
assign (resid 59 and name hn ) (resid 20 and name ha2 ) 4.1 2.3 1.2      
assign (resid 59 and name hn ) (resid 59 and name hb1 ) 3.3 1.5 0.2 
assign (resid 59 and name hn ) (resid 58 and name hb# ) 4.4 2.6 0.9
assign (resid 59 and name hn ) (resid 60 and name hn ) 3.0 1.2 0.5
assign (resid 59 and name hn ) (resid 60 and name hb# ) 5.5 3.7 1.0
assign (resid 59 and name hn ) (resid 61 and name hn ) 4.5 2.7 0.8
assign (resid 59 and name hn ) (resid 56 and name ha ) 6.0 4.2 0.5 
assign (resid 59 and name ha ) (resid 59 and name hb1 ) 3.1 1.3 0.4         
!Ala 60
assign (resid 60 and name hn ) (resid 60 and name ha ) 3.0 1.2 0.5
assign (resid 60 and name hn ) (resid 60 and name hb# ) 3.7 1.9 1.6
assign (resid 60 and name hn ) (resid 59 and name ha ) 4.0 2.2 1.3
assign (resid 60 and name hn ) (resid 59 and name hb1 ) 3.0 1.2 0.5
assign (resid 60 and name hn ) (resid 62 and name hn ) 5.0 3.2 0.3          
assign (resid 60 and name ha ) (resid 63 and name hb2 ) 3.5 1.7 1.8 
assign (resid 60 and name ha ) (resid 60 and name hb# ) 4.0 2.2 1.3
!Phe 61
assign (resid 61 and name hn ) (resid 61 and name hb2 ) 2.7 0.9 0.8 
assign (resid 61 and name hn ) (resid 61 and name hb1 ) 2.7 0.9 0.8 
assign (resid 61 and name hn ) (resid 61 and name ha ) 2.9 1.1 0.6           
assign (resid 61 and name hn ) (resid 58 and name ha ) 3.3 1.5 0.2           
assign (resid 61 and name hn ) (resid 61 and name hd# ) 4.8 3.0 0.5 
assign (resid 61 and name hn ) (resid 108 and name hd1# ) 5.4 3.6 1.1 
assign (resid 61 and name hn ) (resid 103 and name hd2# ) 6.0 4.2 0.5
assign (resid 61 and name hn ) (resid 60 and name hn ) 2.7 0.9 0.8 
assign (resid 61 and name hn ) (resid 60 and name hb# ) 4.0 2.2 1.3 
assign (resid 61 and name hn ) (resid 60 and name ha ) 3.6 1.8 1.7
assign (resid 61 and name ha ) (resid 61 and name hb2 ) 2.6 0.8 0.1 
assign (resid 61 and name ha ) (resid 61 and name hb1 ) 3.4 1.6 0.1 
assign (resid 61 and name ha ) (resid 64 and name hb# ) 3.7 1.9 1.6
assign (resid 61 and name hd2 ) (resid 62 and name hb ) 5.0 3.2 0.3
assign (resid 61 and name hd# ) (resid 61 and name hb2 ) 2.8 1.0 0.7 
assign (resid 61 and name hd# ) (resid 61 and name hb1 ) 2.7 0.9 0.8 
assign (resid 61 and name hd2 ) (resid 62 and name ha ) 2.9 1.1 0.6
assign (resid 61 and name hd1 ) (resid 108 and name hd1# ) 4.5 2.7 0.8  
assign (resid 61 and name hd2 ) (resid 103 and name hd1# ) 4.2 2.4 1.1 
assign (resid 61 and name hd2 ) (resid 103 and name hg ) 2.9 1.1 0.6
assign (resid 61 and name hd2 ) (resid 102 and name hb# ) 5.7 3.9 0.8
assign (resid 61 and name hd2 ) (resid 103 and name hb1 ) 5.0 3.2 0.3 
assign (resid 61 and name hd2 ) (resid 103 and name hb2 ) 5.3 3.5 1.2 
assign (resid 61 and name hd1 ) (resid 61 and name he1 ) 2.1 0.3 0.6 
assign (resid 61 and name hd# ) (resid 61 and name ha ) 3.5 1.7 1.8 
assign (resid 61 and name he1 ) (resid 108 and name hd1# ) 5.6 3.8 0.9 
assign (resid 61 and name he2 ) (resid 103 and name hd1# ) 5.0 3.2 0.3 
assign (resid 61 and name he2 ) (resid 103 and name hn ) 3.5 1.7 1.8
assign (resid 61 and name he2 ) (resid 102 and name hb# ) 4.1 2.3 1.2
assign (resid 61 and name he2 ) (resid 103 and name hg ) 3.2 1.4 0.3         
assign (resid 61 and name he2 ) (resid 103 and name hb1 ) 4.1 2.3 1.2  
!Thr 62
assign (resid 62 and name hn ) (resid 62 and name ha ) 2.8 1.0 0.7
assign (resid 62 and name hn ) (resid 61 and name hb2 ) 3.5 1.7 1.8 
assign (resid 62 and name hn ) (resid 61 and name hb1 ) 2.9 1.1 0.6 
assign (resid 62 and name hn ) (resid 62 and name ha ) 2.8 1.0 0.7 
assign (resid 62 and name hn ) (resid 61 and name ha ) 3.0 1.2 0.5
assign (resid 62 and name hn ) (resid 62 and name hb ) 2.6 0.8 0.1 
assign (resid 62 and name hn ) (resid 61 and name hd2 ) 3.3 1.5 0.2
assign (resid 62 and name hn ) (resid 63 and name hn ) 2.9 1.1 0.6  
assign (resid 62 and name hn ) (resid 64 and name hn ) 4.7 2.9 0.6
assign (resid 62 and name hn ) (resid 61 and name hn ) 3.0 1.2 0.5  
assign (resid 62 and name hn ) (resid 63 and name hb2 ) 5.0 3.2 0.3    
assign (resid 62 and name hn ) (resid 60 and name hb# ) 5.5 3.7 1.0 
assign (resid 62 and name hn ) (resid 62 and name hg2# ) 4.3 2.5 1.0
assign (resid 62 and name hn ) (resid 103 and name hd2# ) 4.7 2.9 0.6
assign (resid 62 and name hn ) (resid 103 and name hd1# ) 5.8 4.0 0.7 
assign (resid 62 and name ha ) (resid 62 and name hg2# ) 3.8 2.0 1.5  
assign (resid 62 and name ha ) (resid 65 and name hb1 ) 2.7 0.9 0.8 
assign (resid 62 and name hb ) (resid 62 and name ha ) 2.9 1.1 0.6
assign (resid 62 and name hb ) (resid 62 and name hg2# ) 4.0 2.2 1.3
!Lys 63
assign (resid 63 and name hn ) (resid 63 and name ha ) 2.8 1.0 0.7           
assign (resid 63 and name hn ) (resid 62 and name ha ) 3.8 2.0 1.5           
assign (resid 63 and name hn ) (resid 63 and name hb1 ) 5.0 3.2 0.3    
assign (resid 63 and name hn ) (resid 61 and name ha ) 5.0 3.2 0.3   
assign (resid 63 and name hn ) (resid 65 and name hn ) 4.5 2.7 0.8  
assign (resid 63 and name hn ) (resid 64 and name hn ) 2.7 0.9 0.8 
assign (resid 63 and name hn ) (resid 63 and name hb2 ) 2.5 0.7 0.2 
assign (resid 63 and name hn ) (resid 63 and name hd# ) 5.2 3.4 0.1 
assign (resid 63 and name hn ) (resid 62 and name hg2# ) 4.8 3.0 0.5
assign (resid 63 and name hn ) (resid 63 and name hg2 ) 3.6 1.8 1.7 
assign (resid 63 and name hn ) (resid 63 and name hg1 ) 3.5 1.7 1.8 
assign (resid 63 and name hn ) (resid 60 and name ha ) 5.5 3.7 1.0
assign (resid 63 and name hn ) (resid 62 and name hb ) 2.5 0.7 0.2
assign (resid 63 and name ha ) (resid 63 and name hb1 ) 3.0 1.2 0.5
assign (resid 63 and name ha ) (resid 63 and name hb2 ) 2.2 0.4 0.5 
assign (resid 63 and name ha ) (resid 63 and name hg2 ) 2.3 0.5 0.4 
assign (resid 63 and name ha ) (resid 63 and name hd# ) 3.7 1.9 1.6 
assign (resid 63 and name ha ) (resid 62 and name hg2# ) 4.9 3.1 0.4
assign (resid 63 and name ha ) (resid 66 and name hb ) 4.5 2.7 0.8
!Lys 64
assign (resid 64 and name hn ) (resid 63 and name ha ) 3.2 1.4 0.3   
assign (resid 64 and name hn ) (resid 64 and name ha ) 2.7 0.9 0.8
assign (resid 64 and name hn ) (resid 61 and name ha ) 3.5 1.7 1.8           
assign (resid 64 and name hn ) (resid 65 and name hn ) 2.6 0.8 0.1  
assign (resid 64 and name hn ) (resid 66 and name hg2# ) 6.0 4.2 0.5  
assign (resid 64 and name hn ) (resid 64 and name hg2) 4.5 2.7 0.8 
assign (resid 64 and name hn ) (resid 64 and name hg1 ) 3.6 1.8 1.7 
assign (resid 64 and name hn ) (resid 64 and name hd# ) 5.1 3.3 0.2  
assign (resid 64 and name hn ) (resid 64 and name hb2 ) 2.3 0.5 0.4         
assign (resid 64 and name hn ) (resid 63 and name hb2 ) 4.0 2.2 1.3 
assign (resid 64 and name ha ) (resid 67 and name hb2 ) 3.4 1.6 0.1 
assign (resid 64 and name ha ) (resid 64 and name hb2 ) 2.7 0.9 0.8
assign (resid 64 and name ha ) (resid 64 and name hg1 ) 3.7 1.9 1.6 
assign (resid 64 and name ha ) (resid 64 and name hg2 ) 5.9 4.1 0.6 
!Met 65
assign (resid 65 and name hn ) (resid 62 and name ha ) 3.5 1.7 1.8   
assign (resid 65 and name hn ) (resid 65 and name ha ) 2.9 1.1 0.6    
assign (resid 65 and name hn ) (resid 65 and name hg# ) 4.6 2.8 0.7 
assign (resid 65 and name hn ) (resid 65 and name hb2 ) 3.2 1.4 0.3 
assign (resid 65 and name hn ) (resid 66 and name hg2# ) 5.1 3.3 0.2 
assign (resid 65 and name hn ) (resid 66 and name hg1# ) 6.0 4.2 0.5 
assign (resid 65 and name hn ) (resid 64 and name hg# ) 4.4 2.6 0.9
assign (resid 65 and name hn ) (resid 63 and name hb2 ) 5.5 3.7 1.0 
assign (resid 65 and name hn ) (resid 64 and name hb2 ) 4.4 2.6 0.9
assign (resid 65 and name hn ) (resid 65 and name hb1 ) 2.5 0.7 0.2  
assign (resid 65 and name hn ) (resid 61 and name ha ) 3.4 1.6 0.1 
assign (resid 65 and name hn ) (resid 64 and name ha ) 4.0 2.2 1.3
assign (resid 65 and name hn ) (resid 66 and name hn ) 2.8 1.0 0.7 
assign (resid 65 and name hn ) (resid 66 and name ha ) 5.3 3.5 1.2 
assign (resid 65 and name ha ) (resid 65 and name hb1 ) 3.0 1.2 0.5 
assign (resid 65 and name ha ) (resid 65 and name hb2 ) 2.9 1.1 0.6  
assign (resid 65 and name ha ) (resid 68 and name hb2 ) 2.9 1.1 0.6  
assign (resid 65 and name ha ) (resid 65 and name hg# ) 4.9 3.1 0.4  
!Val 66
assign (resid 66 and name hn ) (resid 66 and name hg2# ) 3.8 2.0 1.5 
assign (resid 66 and name hn ) (resid 66 and name hg1# ) 3.8 2.0 1.5  
assign (resid 66 and name hn ) (resid 65 and name hb1 ) 2.9 1.1 0.6 
assign (resid 66 and name hn ) (resid 66 and name hb ) 3.5 1.7 1.8
assign (resid 66 and name hn ) (resid 68 and name hn ) 3.8 2.0 1.5  
assign (resid 66 and name hn ) (resid 65 and name ha ) 2.8 1.0 0.7 
assign (resid 66 and name hn ) (resid 63 and name ha ) 3.5 1.7 1.8
assign (resid 66 and name hn ) (resid 62 and name hg2# ) 5.3 3.5 1.2
assign (resid 66 and name hn ) (resid 66 and name ha ) 2.8 1.0 0.7
assign (resid 66 and name hn ) (resid 67 and name hn ) 2.7 0.9 0.8
assign (resid 66 and name ha ) (resid 66 and name hg1# ) 3.7 1.9 1.6 
assign (resid 66 and name ha ) (resid 66 and name hg2# ) 3.9 2.1 1.4 
assign (resid 66 and name ha ) (resid 66 and name hb ) 2.5 0.7 0.2 
assign (resid 66 and name ha ) (resid 69 and name hb# ) 4.9 3.1 0.4
assign (resid 66 and name ha ) (resid 94 and name hb# ) 4.5 2.7 0.8
assign (resid 66 and name hg1# ) (resid 66 and name hb ) 4.0 2.2 1.3 
assign (resid 66 and name hg2# ) (resid 66 and name hb ) 4.2 2.4 1.1 
!Glu 67
assign (resid 67 and name hn ) (resid 67 and name hb2 ) 2.6 0.8 0.1  
assign (resid 67 and name hn ) (resid 66 and name hb ) 3.7 1.9 1.6
assign (resid 67 and name hn ) (resid 67 and name hb1 ) 3.5 1.7 1.8 
assign (resid 67 and name hn ) (resid 67 and name hg2 ) 2.8 1.0 0.7 
assign (resid 67 and name hn ) (resid 63 and name ha ) 3.7 1.9 1.6    
assign (resid 67 and name hn ) (resid 64 and name ha ) 3.5 1.7 1.8  
assign (resid 67 and name hn ) (resid 64 and name hb2 ) 5.5 3.7 1.0 
assign (resid 67 and name hn ) (resid 67 and name ha ) 2.8 1.0 0.7   
assign (resid 67 and name hn ) (resid 69 and name hn ) 4.0 2.2 1.3
assign (resid 67 and name hn ) (resid 68 and name hn ) 2.7 0.9 0.8
assign (resid 67 and name hn ) (resid 65 and name hn ) 3.6 1.8 1.7 
assign (resid 67 and name hn ) (resid 65 and name hb1 ) 5.0 3.2 0.3 
assign (resid 67 and name hn ) (resid 66 and name hg1# ) 4.3 2.5 1.0  
assign (resid 67 and name hn ) (resid 66 and name hg2# ) 4.3 2.5 1.0 
assign (resid 67 and name hn ) (resid 66 and name ha ) 3.6 1.8 1.7    
assign (resid 67 and name hn ) (resid 14 and name hd2# ) 5.5 3.7 1.0    
assign (resid 67 and name ha ) (resid 66 and name hg2# ) 4.7 2.9 0.6  
assign (resid 67 and name ha ) (resid 67 and name hb2 ) 4.0 2.2 1.3 
assign (resid 67 and name ha ) (resid 67 and name hb1 ) 3.2 1.4 0.3  
!Asn 68
assign (resid 68 and name hn ) (resid 69 and name hn ) 2.6 0.8 0.1    
assign (resid 68 and name hn ) (resid 68 and name ha ) 3.2 1.4 0.3   
assign (resid 68 and name hn ) (resid 65 and name ha ) 3.5 1.7 1.8 
assign (resid 68 and name hn ) (resid 67 and name ha ) 3.0 1.2 0.5 
assign (resid 68 and name hn ) (resid 68 and name hb2 ) 2.5 0.7 0.2 
assign (resid 68 and name hn ) (resid 68 and name hb1 ) 3.5 1.7 1.8 
assign (resid 68 and name hn ) (resid 67 and name hb1 ) 3.7 1.9 1.6 
assign (resid 68 and name hn ) (resid 67 and name hb2 ) 3.5 1.7 1.8 
assign (resid 68 and name hn ) (resid 66 and name hg2# ) 5.3 3.5 1.2 
assign (resid 68 and name hn ) (resid 69 and name hb# ) 5.3 3.5 1.2  
assign (resid 68 and name hn ) (resid 66 and name ha ) 3.7 1.9 1.8  
assign (resid 68 and name hn ) (resid 68 and name hd22 ) 3.4 1.6 0.1 
assign (resid 68 and name hd21 ) (resid 68 and name hb1 ) 3.5 1.7 1.8     
assign (resid 68 and name hd21 ) (resid 64 and name ha ) 4.2 3.4 1.1         
assign (resid 68 and name hd22 ) (resid 68 and name hb1 ) 3.7 1.9 1.6      
assign (resid 68 and name hd22 ) (resid 64 and name ha ) 3.9 2.1 1.4         
!Ala 69
assign (resid 69 and name hn ) (resid 66 and name ha ) 4.1 2.3 1.2 
assign (resid 69 and name hn ) (resid 68 and name ha ) 3.6 1.8 1.7 
assign (resid 69 and name hn ) (resid 65 and name ha ) 3.3 1.5 0.2 
assign (resid 69 and name hn ) (resid 67 and name ha ) 3.9 2.1 1.4
assign (resid 69 and name hn ) (resid 68 and name hb2 ) 3.4 1.6 0.1 
assign (resid 69 and name hn ) (resid 68 and name hb1 ) 3.8 2.0 1.5 
assign (resid 69 and name hn ) (resid 72 and name hg11 ) 4.8 3.0 0.5
assign (resid 69 and name hn ) (resid 72 and name hd1# ) 5.9 4.1 0.6
assign (resid 69 and name hn ) (resid 69 and name hb# ) 3.9 2.1 1.4
assign (resid 69 and name hn ) (resid 70 and name hn ) 4.6 2.8 0.7
assign (resid 69 and name hn ) (resid 66 and name hn ) 4.9 3.1 0.4
assign (resid 69 and name ha ) (resid 69 and name hb# ) 5.3 3.5 1.2
!Lys 70
assign (resid 70 and name hn ) (resid 70 and name ha ) 3.0 1.2 0.5 
assign (resid 70 and name hn ) (resid 69 and name ha ) 3.2 1.4 0.3
assign (resid 70 and name hn ) (resid 95 and name hn ) 4.3 2.5 1.0
assign (resid 70 and name hn ) (resid 70 and name hb1 ) 4.0 2.2 1.3  
assign (resid 70 and name hn ) (resid 70 and name hb2 ) 3.5 1.7 1.8 
assign (resid 70 and name hn ) (resid 70 and name hg2 ) 3.3 1.5 0.2 
assign (resid 70 and name hn ) (resid 69 and name hb# ) 4.8 3.0 0.5
assign (resid 70 and name hn ) (resid 70 and name hg1 ) 3.2 1.4 0.3 
assign (resid 70 and name ha ) (resid 70 and name hb1 ) 2.8 1.0 0.7 
assign (resid 70 and name ha ) (resid 70 and name hb2 ) 3.5 1.7 0.0 
assign (resid 70 and name ha ) (resid 69 and name hb# ) 5.5 3.7 1.0 
assign (resid 70 and name ha ) (resid 70 and name hg1 ) 4.7 2.9 0.6 
assign (resid 70 and name ha ) (resid 70 and name hd1 ) 5.1 3.3 0.2 
!Lys 71
assign (resid 71 and name hn ) (resid 70 and name ha ) 3.8 2.0 1.5  
assign (resid 71 and name hn ) (resid 71 and name hb1 ) 3.5 1.7 1.8  
assign (resid 71 and name hn ) (resid 71 and name hb2 ) 2.7 0.9 0.8 
assign (resid 71 and name hn ) (resid 71 and name ha ) 3.8 2.0 1.5
assign (resid 71 and name hn ) (resid 71 and name hg1 ) 3.2 1.4 0.3  
assign (resid 71 and name hn ) (resid 71 and name hg2 ) 4.0 2.2 1.3  
assign (resid 71 and name hn ) (resid 69 and name hb# ) 4.9 3.1 0.4
assign (resid 71 and name hn ) (resid 70 and name hn ) 2.9 1.1 0.6 
assign (resid 71 and name hn ) (resid 70 and name hb2 ) 3.0 1.2 0.5 
assign (resid 71 and name ha ) (resid 71 and name hb1 ) 2.9 1.1 0.6 
assign (resid 71 and name ha ) (resid 71 and name hb2 ) 3.4 1.6 0.1 
!Ile 72
assign (resid 72 and name hn ) (resid 72 and name hd1# ) 5.4 3.6 1.1 
assign (resid 72 and name hn ) (resid 72 and name hg12 ) 4.3 2.5 1.0
assign (resid 72 and name hn ) (resid 71 and name ha ) 2.7 0.9 0.8   
assign (resid 72 and name hn ) (resid 71 and name hb2 ) 4.4 2.6 0.9      
assign (resid 72 and name hn ) (resid 71 and name hb1 ) 3.5 1.7 1.8      
assign (resid 72 and name hn ) (resid 12 and name hn ) 3.9 2.1 1.4 
assign (resid 72 and name hn ) (resid 72 and name ha ) 3.3 1.5 0.2 
assign (resid 72 and name hn ) (resid 72 and name hg2# ) 4.8 3.0 0.5 
assign (resid 72 and name hn ) (resid 72 and name hg11 ) 3.2 1.4 0.3
assign (resid 72 and name hn ) (resid 71 and name hg2 ) 4.0 2.2 1.3
assign (resid 72 and name hn ) (resid 72 and name hb ) 2.5 0.7 0.2
assign (resid 72 and name ha ) (resid 72 and name hg2# ) 4.5 2.7 0.8
assign (resid 72 and name ha ) (resid 72 and name hd1# ) 4.6 2.8 0.7
assign (resid 72 and name ha ) (resid 72 and name hb ) 2.7 0.9 0.8 
assign (resid 72 and name ha ) (resid 94 and name ha ) 2.9 1.1 0.6 
assign (resid 72 and name ha ) (resid 94 and name hb# ) 4.5 2.7 0.8 
assign (resid 72 and name ha ) (resid 69 and name hb# ) 5.7 3.9 0.8 
assign (resid 72 and name hg2# ) (resid 72 and name hb ) 4.3 2.5 1.0
assign (resid 72 and name hg2# ) (resid 12 and name hb# ) 5.6 3.8 0.9
!Glu 73
assign (resid 73 and name hn ) (resid 94 and name hb# ) 5.5 3.7 1.0  
assign (resid 73 and name hn ) (resid 92 and name hg2# ) 5.5 3.7 1.0  
assign (resid 73 and name hn ) (resid 72 and name ha ) 2.5 0.7 0.2  
assign (resid 73 and name hn ) (resid 72 and name hg2# ) 4.3 2.5 1.0  
assign (resid 73 and name hn ) (resid 73 and name hg# ) 3.5 1.7 1.8  
assign (resid 73 and name hn ) (resid 73 and name hb# ) 3.5 1.7 1.8  
assign (resid 73 and name hn ) (resid 93 and name hb2 ) 3.5 1.7 1.8   
assign (resid 73 and name hn ) (resid 94 and name ha ) 4.0 2.2 1.3   
assign (resid 73 and name hn ) (resid 72 and name hb ) 4.3 2.5 1.0   
assign (resid 73 and name hn ) (resid 93 and name hd2 ) 4.3 2.5 1.0 
assign (resid 73 and name hn ) (resid 73 and name ha ) 3.0 1.2 0.5 
assign (resid 73 and name hn ) (resid 72 and name hg11 ) 4.7 2.9 0.6 
assign (resid 73 and name hn ) (resid 72 and name hg12) 4.2 2.4 1.1  
assign (resid 73 and name hn ) (resid 93 and name hn ) 3.4 1.6 0.1 
assign (resid 73 and name ha ) (resid 73 and name hb# ) 2.8 1.0 0.7 
assign (resid 73 and name ha ) (resid 12 and name hb# ) 5.0 3.2 0.3  
assign (resid 73 and name ha ) (resid 72 and name hb ) 5.0 3.2 0.3  
assign (resid 73 and name ha ) (resid 11 and name ha ) 2.7 0.9 0.8 
!Val 74
assign (resid 74 and name hn ) (resid 73 and name ha ) 2.6 0.8 0.1 
assign (resid 74 and name hn ) (resid 11 and name ha ) 4.5 2.7 0.8  
assign (resid 74 and name hn ) (resid 73 and name hb# ) 4.0 2.2 1.3
assign (resid 74 and name hn ) (resid 74 and name hb ) 3.6 1.8 1.7 
assign (resid 74 and name hn ) (resid 74 and name hg2# ) 4.6 2.8 0.7 
assign (resid 74 and name hn ) (resid 74 and name hg1# ) 4.7 2.9 0.6 
assign (resid 74 and name hn ) (resid 73 and name hn ) 4.5 2.7 0.8
assign (resid 74 and name hn ) (resid 72 and name hg2# ) 5.9 4.1 0.6
assign (resid 74 and name hg1# ) (resid 92 and name hd1# ) 5.6 3.8 0.9   
assign (resid 74 and name hg1# ) (resid 25 and name hd1# ) 5.0 3.2 0.3  
assign (resid 74 and name hg1# ) (resid 92 and name hg2# ) 5.7 3.9 0.8
assign (resid 74 and name hg1# ) (resid 90 and name hb# ) 5.8 4.0 0.7
assign (resid 74 and name hg1# ) (resid 74 and name hb ) 4.5 2.7 0.8 
assign (resid 74 and name hg1# ) (resid 92 and name hg12 ) 5.3 3.5 1.2
assign (resid 74 and name hg2# ) (resid 74 and name hb ) 4.3 2.5 1.0   
!Glu 75
assign (resid 75 and name hn ) (resid 93 and name he2 ) 4.3 2.5 1.0     
assign (resid 75 and name hn ) (resid 93 and name hd2 ) 4.2 2.4 1.1  
assign (resid 75 and name hn ) (resid 90 and name hb# ) 4.3 2.5 1.0 
assign (resid 75 and name hn ) (resid 74 and name hg1# ) 5.1 3.3 0.2    
assign (resid 75 and name hn ) (resid 74 and name hg2# ) 5.1 3.3 0.2 
assign (resid 75 and name hn ) (resid 74 and name hb ) 3.3 1.5 0.2
assign (resid 75 and name hn ) (resid 75 and name hb2 ) 3.3 1.5 0.2 
assign (resid 75 and name hn ) (resid 75 and name hb1 ) 3.1 1.3 0.4 
assign (resid 75 and name hn ) (resid 91 and name hb2 ) 3.5 1.7 1.8 
assign (resid 75 and name hn ) (resid 75 and name ha ) 3.8 2.0 1.5 
assign (resid 75 and name hn ) (resid 74 and name ha ) 3.5 1.7 1.8 
assign (resid 75 and name ha ) (resid 75 and name hb2 ) 3.3 1.5 0.2    
assign (resid 75 and name ha ) (resid 75 and name hg# ) 3.6 1.8 1.7    
assign (resid 75 and name ha ) (resid 9 and name ha ) 3.1 1.3 0.4
!Phe 76
assign (resid 76 and name hn ) (resid 76 and name hb1 ) 3.7 1.9 1.6
assign (resid 76 and name hn ) (resid 75 and name ha ) 2.6 0.8 0.1  
assign (resid 76 and name hn ) (resid 9 and name ha ) 4.5 2.7 0.8  
assign (resid 76 and name hn ) (resid 76 and name hd1 ) 2.9 1.1 0.6 
assign (resid 76 and name hn ) (resid 76 and name he# ) 4.6 2.8 0.7
assign (resid 76 and name hn ) (resid 76 and name ha ) 3.2 1.4 0.3 
assign (resid 76 and name hn ) (resid 76 and name hb2 ) 2.7 0.9 0.8 
assign (resid 76 and name hn ) (resid 75 and name hb1 ) 4.3 2.5 1.0     
assign (resid 76 and name hn ) (resid 75 and name hb2 ) 4.5 2.7 0.8     
assign (resid 76 and name ha ) (resid 76 and name hb2 ) 3.1 1.3 0.4 
assign (resid 76 and name ha ) (resid 76 and name hb1 ) 2.9 1.1 0.6 
assign (resid 76 and name ha ) (resid 90 and name ha ) 4.5 2.7 0.8
assign (resid 76 and name he2 ) (resid 76 and name hz ) 2.6 0.8 0.1
assign (resid 76 and name he1 ) (resid 27 and name he1 ) 3.5 1.7 1.8
assign (resid 76 and name he2 ) (resid 89 and name hn ) 3.1 1.3 0.4
assign (resid 76 and name he2 ) (resid 90 and name hb# ) 5.3 3.5 1.2
assign (resid 76 and name he2 ) (resid 32 and name he# ) 6.0 4.2 0.5
assign (resid 76 and name he2 ) (resid 88 and name ha2 ) 3.5 1.7 1.8
assign (resid 76 and name he2 ) (resid 76 and name hd2 ) 2.4 0.6 0.3  
assign (resid 76 and name hd2 ) (resid 81 and name hg1 ) 4.2 2.4 1.1      
assign (resid 76 and name hd2 ) (resid 76 and name ha ) 2.8 1.0 0.7  
assign (resid 76 and name hd2 ) (resid 81 and name hb2 ) 4.1 2.3 1.2
assign (resid 76 and name hd# ) (resid 76 and name hb1 ) 2.7 0.9 0.8 
assign (resid 76 and name hd# ) (resid 76 and name hb2 ) 2.7 0.9 0.8 
assign (resid 76 and name hd2 ) (resid 90 and name hb# ) 5.0 3.2 0.3
assign (resid 76 and name hd2 ) (resid 76 and name hz ) 3.7 1.9 1.6
assign (resid 76 and name hz ) (resid 32 and name he# ) 5.4 3.6 1.1
assign (resid 76 and name hz ) (resid 34 and name he2 ) 5.0 3.2 0.3
assign (resid 76 and name hz ) (resid 90 and name hb# ) 6.0 4.2 0.5 
!Asp 77
assign (resid 77 and name hn ) (resid 79 and name hn ) 4.3 2.5 1.0   
assign (resid 77 and name hn ) (resid 77 and name ha ) 3.3 1.5 0.2   
assign (resid 77 and name hn ) (resid 76 and name hd2 ) 3.9 2.1 1.4
assign (resid 77 and name hn ) (resid 37 and name hd1# ) 4.9 3.0 0.4   
assign (resid 77 and name hn ) (resid 76 and name hb1 ) 3.0 1.2 0.5 
assign (resid 77 and name hn ) (resid 76 and name hb2 ) 3.8 2.0 1.5 
assign (resid 77 and name hn ) (resid 77 and name hb1 ) 4.1 2.3 1.2  
assign (resid 77 and name hn ) (resid 77 and name hb2 ) 3.0 1.2 0.5 
assign (resid 77 and name hn ) (resid 76 and name ha ) 2.9 1.1 0.6 
assign (resid 77 and name hn ) (resid 118 and name ha ) 5.5 3.7 1.0 
assign (resid 77 and name ha ) (resid 77 and name hb1 ) 3.0 1.2 0.5 
assign (resid 77 and name ha ) (resid 77 and name hb2 ) 2.8 1.0 0.7  
assign (resid 77 and name ha ) (resid 120 and name hg2# ) 5.5 3.7 1.0
assign (resid 77 and name ha ) (resid 7 and name hd2# ) 3.6 1.8 1.7 
assign (resid 77 and name ha ) (resid 7 and name hd1# ) 4.0 2.2 1.3 
assign (resid 77 and name ha ) (resid 37 and name hd1# ) 5.8 4.0 0.7 
!Lys 78
assign (resid 78 and name hn ) (resid 78 and name hb1 ) 3.5 1.7 1.8 
assign (resid 78 and name hn ) (resid 78 and name hb2 ) 4.7 2.9 0.6 
assign (resid 78 and name hn ) (resid 78 and name ha ) 3.0 1.2 0.5   
assign (resid 78 and name hn ) (resid 77 and name ha ) 2.9 1.1 0.6 
assign (resid 78 and name hn ) (resid 79 and name hn ) 2.7 0.9 0.8
assign (resid 78 and name hn ) (resid 77 and name hb1 ) 3.4 1.6 0.1 
assign (resid 78 and name hn ) (resid 77 and name hb2 ) 5.5 3.7 1.0 
assign (resid 78 and name hn ) (resid 78 and name hd# ) 4.9 3.1 0.4 
assign (resid 78 and name hn ) (resid 78 and name hg1 ) 3.4 1.6 0.1 
assign (resid 78 and name ha ) (resid 78 and name hb1 ) 2.5 0.7 0.2 
assign (resid 78 and name ha ) (resid 78 and name hb2 ) 3.5 1.7 1.8 
!Gly 79
assign (resid 79 and name hn ) (resid 118 and name hd21 ) 4.5 2.7 0.8  
assign (resid 79 and name hn ) (resid 118 and name hd22 ) 3.9 2.1 1.4
assign (resid 79 and name hn ) (resid 78 and name ha ) 3.5 1.7 1.8  
assign (resid 79 and name hn ) (resid 78 and name hb2 ) 3.5 1.7 1.8 
assign (resid 79 and name hn ) (resid 78 and name hb1 ) 4.0 2.2 1.3 
assign (resid 79 and name hn ) (resid 78 and name hd# ) 6.0 4.2 0.5 
assign (resid 79 and name hn ) (resid 77 and name hb1 ) 4.4 2.6 0.9 
assign (resid 79 and name hn ) (resid 77 and name hb2 ) 5.0 3.2 0.3 
assign (resid 79 and name hn ) (resid 79 and name ha1 ) 2.8 1.0 0.7 
assign (resid 79 and name hn ) (resid 79 and name ha2 ) 3.0 1.2 0.5
assign (resid 79 and name hn ) (resid 118 and name ha ) 3.5 1.7 1.8
assign (resid 79 and name hn ) (resid 119 and name hn ) 5.5 3.7 1.0
!Gln 80
assign (resid 80 and name hn ) (resid 118 and name hd21 ) 4.0 2.2 1.3
assign (resid 80 and name hn ) (resid 118 and name hd22 ) 3.9 2.1 1.4
assign (resid 80 and name hn ) (resid 80 and name hb2 ) 2.7 0.9 0.8  
assign (resid 80 and name hn ) (resid 80 and name hb1 ) 3.5 1.7 1.8 
assign (resid 80 and name hn ) (resid 80 and name hg# ) 4.0 2.2 1.3
assign (resid 80 and name hn ) (resid 79 and name ha2 ) 3.5 1.7 1.8
assign (resid 80 and name hn ) (resid 79 and name ha1 ) 3.3 1.5 0.2
assign (resid 80 and name hn ) (resid 80 and name ha ) 3.0 1.2 0.5 
assign (resid 80 and name hn ) (resid 81 and name hn ) 5.0 3.2 0.3       
!Arg 81
assign (resid 81 and name hn ) (resid 81 and name ha ) 2.9 1.1 0.6           
assign (resid 81 and name hn ) (resid 80 and name hb2 ) 4.0 2.2 1.3 
assign (resid 81 and name hn ) (resid 80 and name hb1 ) 2.9 1.1 0.6 
assign (resid 81 and name hn ) (resid 80 and name hg# ) 5.0 3.2 0.3
assign (resid 81 and name hn ) (resid 81 and name hb1 ) 3.5 1.7 1.8  
assign (resid 81 and name hn ) (resid 81 and name hb2 ) 2.9 1.1 0.6 
assign (resid 81 and name hn ) (resid 81 and name hg# ) 3.9 2.1 1.4
assign (resid 81 and name hn ) (resid 80 and name ha ) 2.5 0.7 0.2
!Thr 82
assign (resid 82 and name hn ) (resid 80 and name hb1 ) 3.1 1.3 0.4   
assign (resid 82 and name hn ) (resid 80 and name hg# ) 5.3 3.5 1.2
assign (resid 82 and name hn ) (resid 81 and name ha ) 3.5 1.7 1.8   
assign (resid 82 and name hn ) (resid 82 and name hg2# ) 4.4 2.6 0.9 
assign (resid 82 and name hn ) (resid 81 and name hb1 ) 4.0 2.2 1.3 
assign (resid 82 and name hn ) (resid 82 and name ha ) 3.3 1.5 0.2
assign (resid 82 and name hn ) (resid 89 and name hd1# ) 5.4 3.6 1.1 
assign (resid 82 and name hn ) (resid 81 and name hg# ) 4.8 3.0 0.5
assign (resid 82 and name hn ) (resid 82 and name hb ) 3.7 1.9 1.6 
assign (resid 82 and name hn ) (resid 81 and name hn ) 2.6 0.8 0.1   
assign (resid 82 and name hn ) (resid 81 and name hb2 ) 3.5 1.7 1.8 
assign (resid 82 and name hn ) (resid 80 and name hb2 ) 4.2 2.4 1.1 
assign (resid 82 and name ha ) (resid 82 and name hb ) 2.6 0.8 0.1   
assign (resid 82 and name ha ) (resid 88 and name ha2 ) 2.9 1.1 0.6 
assign (resid 82 and name ha ) (resid 89 and name hg ) 2.8 1.0 0.7    
assign (resid 82 and name ha ) (resid 89 and name hb2 ) 4.0 2.2 1.3 
assign (resid 82 and name ha ) (resid 89 and name hd1# ) 4.9 3.1 0.4      
assign (resid 82 and name ha ) (resid 82 and name hg2# ) 4.3 2.5 1.0  
assign (resid 82 and name hb ) (resid 82 and name hg2# ) 3.9 2.1 1.6 
!Asp 83
assign (resid 83 and name hn ) (resid 82 and name ha ) 2.7 0.9 0.8  
assign (resid 83 and name hn ) (resid 83 and name ha ) 3.5 1.7 1.8
assign (resid 83 and name hn ) (resid 82 and name hb ) 2.8 1.0 0.7 
assign (resid 83 and name hn ) (resid 83 and name hb1 ) 3.3 1.5 0.2 
assign (resid 83 and name hn ) (resid 83 and name hb2 ) 4.5 2.7 0.8 
assign (resid 83 and name hn ) (resid 89 and name hg ) 3.2 1.4 0.3
assign (resid 83 and name hn ) (resid 82 and name hg2# ) 4.5 2.7 0.8
assign (resid 83 and name hn ) (resid 89 and name hd1# ) 4.8 3.0 0.5 
assign (resid 83 and name hn ) (resid 87 and name hn ) 2.8 1.0 0.7
assign (resid 83 and name ha ) (resid 83 and name hb1 ) 2.7 0.9 0.8 
assign (resid 83 and name ha ) (resid 83 and name hb2 ) 2.9 1.1 0.6 
assign (resid 83 and name ha ) (resid 89 and name hd1# ) 4.5 2.7 0.8  
!Lys 84                                                            
assign (resid 84 and name hn ) (resid 84 and name hg1 ) 3.5 1.7 1.8 
assign (resid 84 and name hn ) (resid 84 and name hg2 ) 2.9 1.1 0.6 
assign (resid 84 and name hn ) (resid 84 and name hb1 ) 3.5 1.7 1.8 
assign (resid 84 and name hn ) (resid 84 and name hb2 ) 2.9 1.1 0.6 
assign (resid 84 and name hn ) (resid 83 and name hb2 ) 3.2 1.4 0.3 
assign (resid 84 and name hn ) (resid 83 and name hb1 ) 3.6 1.8 1.7 
assign (resid 84 and name hn ) (resid 83 and name ha ) 3.3 1.5 0.2
assign (resid 84 and name hn ) (resid 84 and name ha ) 2.8 1.0 0.7
assign (resid 84 and name ha ) (resid 84 and name hb2 ) 2.8 1.0 0.7  
assign (resid 84 and name ha ) (resid 84 and name hb1 ) 2.9 1.1 0.6 
!Tyr 85
assign (resid 85 and name hn ) (resid 85 and name hb2 ) 2.9 1.1 0.6  
assign (resid 85 and name hn ) (resid 86 and name hn ) 2.6 0.8 0.1   
assign (resid 85 and name hn ) (resid 85 and name hb2 ) 4.0 2.2 1.3 
assign (resid 85 and name hn ) (resid 84 and name ha ) 4.0 2.2 1.3
assign (resid 85 and name hn ) (resid 84 and name hg1 ) 5.2 3.4 0.1 
assign (resid 85 and name hn ) (resid 84 and name hg2 ) 5.0 3.2 0.3 
assign (resid 85 and name hn ) (resid 84 and name hb1 ) 5.4 3.6 1.1 
assign (resid 85 and name hn ) (resid 87 and name hn ) 3.5 1.7 1.8 
assign (resid 85 and name hd# ) (resid 85 and name hb2 ) 2.8 1.0 0.7 
assign (resid 85 and name hd# ) (resid 85 and name hb1 ) 2.9 1.1 0.6  
assign (resid 85 and name hd1 ) (resid 85 and name hn ) 2.9 1.1 0.6  
assign (resid 85 and name hd1 ) (resid 86 and name hn ) 5.0 3.2 0.3 
assign (resid 85 and name hd1 ) (resid 85 and name he1 ) 2.2 0.4 0.5
assign (resid 85 and name he# ) (resid 85 and name hb2 ) 5.5 3.7 1.0  
!Gly 86
assign (resid 86 and name hn ) (resid 86 and name ha2 ) 2.7 0.9 0.8   
assign (resid 86 and name hn ) (resid 86 and name ha1 ) 3.0 1.2 0.5
assign (resid 86 and name hn ) (resid 85 and name ha ) 3.9 2.1 1.4 
assign (resid 86 and name hn ) (resid 85 and name hb1 ) 4.5 2.7 0.8 
assign (resid 86 and name hn ) (resid 85 and name hb2 ) 4.1 2.3 1.2  
assign (resid 86 and name hn ) (resid 82 and name hb ) 4.5 2.7 0.8
assign (resid 86 and name hn ) (resid 84 and name ha ) 4.6 2.8 0.7 
!Arg 87
assign (resid 87 and name hn ) (resid 87 and name hb1 ) 4.0 2.2 1.3 
assign (resid 87 and name hn ) (resid 86 and name hn ) 2.8 1.0 0.7
assign (resid 87 and name hn ) (resid 87 and name ha ) 3.7 1.9 1.6
assign (resid 87 and name hn ) (resid 86 and name ha1 ) 3.9 2.1 1.4
assign (resid 87 and name hn ) (resid 86 and name ha2 ) 3.8 2.0 1.5
assign (resid 87 and name hn ) (resid 87 and name hb2 ) 3.5 1.7 1.8 
assign (resid 87 and name hn ) (resid 87 and name hd# ) 2.9 1.1 0.6
assign (resid 87 and name hn ) (resid 85 and name hb1 ) 4.0 2.2 1.3 
assign (resid 87 and name hn ) (resid 85 and name hb2 ) 4.0 2.2 1.3 
assign (resid 87 and name hn ) (resid 82 and name hb ) 4.5 2.7 0.8
assign (resid 87 and name hn ) (resid 87 and name hg# ) 4.0 2.2 1.3
assign (resid 87 and name hn ) (resid 82 and name hg2# ) 6.0 4.2 0.5
assign (resid 87 and name ha ) (resid 35 and name hb2 ) 5.4 3.6 1.1 
assign (resid 87 and name ha ) (resid 87 and name hg# ) 3.8 2.0 1.5 
!Gly 88
assign (resid 88 and name hn ) (resid 88 and name ha1 ) 3.0 1.2 0.5
assign (resid 88 and name hn ) (resid 34 and name ha ) 3.1 1.3 0.4
assign (resid 88 and name hn ) (resid 87 and name ha ) 3.1 1.3 0.4 
assign (resid 88 and name hn ) (resid 87 and name hb2 ) 3.8 2.0 1.5  
assign (resid 88 and name hn ) (resid 88 and name ha2 ) 3.1 1.3 0.4
assign (resid 88 and name hn ) (resid 34 and name hb1 ) 5.0 3.2 0.3 
assign (resid 88 and name hn ) (resid 87 and name hg2 ) 4.3 2.5 1.0 
assign (resid 88 and name hn ) (resid 82 and name hg2# ) 5.3 3.5 1.2
assign (resid 88 and name hn ) (resid 34 and name hd2 ) 4.4 2.6 0.9          
assign (resid 88 and name hn ) (resid 34 and name he2 ) 5.3 3.5 1.2         
assign (resid 88 and name hn ) (resid 89 and name hn ) 5.0 3.2 0.3
assign (resid 88 and name hn ) (resid 35 and name hb2 ) 5.4 3.6 1.1    
assign (resid 88 and name hn ) (resid 35 and name hb1 ) 5.1 3.3 0.2    
assign (resid 88 and name hn ) (resid 35 and name hn ) 3.7 1.9 1.6  
assign (resid 88 and name hn ) (resid 34 and name hn ) 5.0 3.2 0.3 
assign (resid 88 and name ha2 ) (resid 82 and name hg2# ) 4.9 3.1 0.4
!Leu 89
assign (resid 89 and name hn ) (resid 82 and name ha ) 3.2 1.4 0.3  
assign (resid 89 and name hn ) (resid 89 and name ha ) 3.2 1.4 0.3
assign (resid 89 and name hn ) (resid 76 and name he2 ) 3.1 1.3 0.4
assign (resid 89 and name hn ) (resid 88 and name ha2 ) 3.5 1.7 1.8 
assign (resid 89 and name hn ) (resid 88 and name ha1 ) 3.6 1.8 1.7
assign (resid 89 and name hn ) (resid 89 and name hb2 ) 3.0 1.2 0.5 
assign (resid 89 and name hn ) (resid 89 and name hg ) 3.4 1.6 0.1   
assign (resid 89 and name hn ) (resid 89 and name hb1 ) 4.0 2.2 1.3 
assign (resid 89 and name hn ) (resid 89 and name hd* ) 5.6 3.8 0.9      
assign (resid 89 and name hn ) (resid 82 and name hg2# ) 5.5 3.7 1.0 
assign (resid 89 and name hn ) (resid 90 and name hb# ) 5.8 4.0 0.7 
assign (resid 89 and name hn ) (resid 76 and name hd2 ) 3.5 1.7 1.8 
assign (resid 89 and name ha ) (resid 89 and name hb2 ) 3.3 1.5 0.2 
assign (resid 89 and name ha ) (resid 89 and name hg ) 3.2 1.4 0.3  
assign (resid 89 and name ha ) (resid 89 and name hb1 ) 3.0 1.2 0.5 
assign (resid 89 and name ha ) (resid 89 and name hd* ) 5.2 3.4 0.1    
!Ala 90
assign (resid 90 and name hn ) (resid 90 and name hb# ) 4.3 2.5 1.0    
assign (resid 90 and name hn ) (resid 89 and name hd2# ) 5.4 3.6 1.1         
assign (resid 90 and name hn ) (resid 37 and name hg ) 3.3 1.5 0.2 
assign (resid 90 and name hn ) (resid 89 and name ha ) 2.6 0.8 0.1
assign (resid 90 and name hn ) (resid 37 and name hd1# ) 5.1 3.3 0.2 
assign (resid 90 and name hn ) (resid 90 and name ha ) 3.6 1.8 1.7
assign (resid 90 and name hn ) (resid 89 and name hg ) 5.5 3.7 1.0 
assign (resid 90 and name hn ) (resid 34 and name he2 ) 5.5 3.7 1.0 
assign (resid 90 and name hn ) (resid 36 and name ha ) 4.0 2.2 1.3 
assign (resid 90 and name hn ) (resid 37 and name ha ) 3.6 1.8 1.7 
assign (resid 90 and name ha ) (resid 90 and name hb# ) 4.3 2.5 1.0 
assign (resid 90 and name ha ) (resid 37 and name hd1# ) 5.0 3.2 0.3    
!Tyr 91
assign (resid 91 and name hn ) (resid 75 and name hn ) 2.8 1.0 0.7   
assign (resid 91 and name hn ) (resid 37 and name hb1 ) 5.3 3.5 1.2 
assign (resid 91 and name hn ) (resid 91 and name hb2 ) 3.7 1.9 1.6         
assign (resid 91 and name hn ) (resid 91 and name hb1 ) 4.0 2.2 1.3        
assign (resid 91 and name hn ) (resid 91 and name he2 ) 5.4 3.6 1.1       
assign (resid 91 and name hn ) (resid 91 and name hd2 ) 3.9 2.1 1.4         
assign (resid 91 and name hn ) (resid 93 and name he2 ) 4.4 2.6 0.9         
assign (resid 91 and name hn ) (resid 37 and name hd1# ) 5.4 3.6 1.1
assign (resid 91 and name hn ) (resid 90 and name hb# ) 4.2 2.4 1.1
assign (resid 91 and name hn ) (resid 75 and name hb2 ) 5.0 3.2 0.3
assign (resid 91 and name hn ) (resid 90 and name hn ) 4.0 2.2 1.3 
assign (resid 91 and name hn ) (resid 90 and name ha ) 2.9 1.1 0.6  
assign (resid 91 and name he1 ) (resid 38 and name hd1# ) 4.4 2.6 0.9 
assign (resid 91 and name he1 ) (resid 37 and name hd1# ) 5.2 3.4 0.1  
assign (resid 91 and name he1 ) (resid 37 and name hd2# ) 5.3 3.5 1.2  
assign (resid 91 and name he1 ) (resid 121 and name hn ) 3.8 2.0 1.5 
assign (resid 91 and name he1 ) (resid 121 and name hb2 ) 3.0 1.2 0.5
assign (resid 91 and name he1 ) (resid 125 and name hg ) 4.5 2.7 0.8
assign (resid 91 and name he1 ) (resid 37 and name hb1 ) 3.0 1.2 0.5
assign (resid 91 and name he1 ) (resid 125 and name hd1# ) 4.9 3.1 0.4 
assign (resid 91 and name he1 ) (resid 125 and name hd2# ) 5.7 3.9 0.8 
assign (resid 91 and name he1 ) (resid 37 and name hn ) 5.3 3.5 1.2
assign (resid 91 and name he2 ) (resid 7 and name hd1# ) 5.3 3.5 1.2
assign (resid 91 and name he1 ) (resid 38 and name hg ) 2.9 1.1 0.6  
assign (resid 91 and name he2 ) (resid 77 and name hb1 ) 4.0 2.2 1.3   
assign (resid 91 and name he2 ) (resid 77 and name hb2 ) 2.9 1.1 0.6  
assign (resid 91 and name he# ) (resid 121 and name hd2 ) 3.5 1.7 1.8
assign (resid 91 and name he2 ) (resid 77 and name ha ) 3.5 1.7 1.8   
assign (resid 91 and name he1 ) (resid 91 and name hd1 ) 3.4 1.6 0.1 
!Ile 92
assign (resid 92 and name hn ) (resid 92 and name hd1# ) 5.7 3.9 0.8 
assign (resid 92 and name hn ) (resid 90 and name hb# ) 5.5 3.7 1.0
assign (resid 92 and name hn ) (resid 92 and name hg2# ) 4.7 2.9 0.6  
assign (resid 92 and name hn ) (resid 92 and name hg12 ) 3.4 1.6 0.1 
assign (resid 92 and name hn ) (resid 92 and name hg11 ) 3.9 2.1 1.4
assign (resid 92 and name hn ) (resid 92 and name hb ) 2.6 0.8 0.1
assign (resid 92 and name hn ) (resid 100 and name hd22 ) 4.3 2.5 1.0
assign (resid 92 and name hn ) (resid 92 and name ha ) 3.5 1.7 1.8
assign (resid 92 and name hn ) (resid 36 and name hd2# ) 5.0 3.2 0.3 
assign (resid 92 and name ha ) (resid 92 and name hg2# ) 4.4 2.6 0.9
assign (resid 92 and name ha ) (resid 92 and name hb ) 3.0 1.2 0.5
assign (resid 92 and name ha ) (resid 74 and name ha ) 3.0 1.2 0.5
assign (resid 92 and name ha ) (resid 92 and name hd1# ) 4.7 2.9 0.6
assign (resid 92 and name ha ) (resid 92 and name hg12 ) 2.8 1.0 0.7
assign (resid 92 and name ha ) (resid 92 and name hg11 ) 3.8 2.0 1.5
assign (resid 92 and name hg2# ) (resid 92 and name hb ) 3.4 1.6 0.1 
assign (resid 92 and name hd1# ) (resid 92 and name hg2# ) 4.9 3.1 0.4
assign (resid 92 and name hd1# ) (resid 92 and name hg12 ) 4.3 2.5 1.0
assign (resid 92 and name hd1# ) (resid 90 and name hb# ) 4.8 3.0 0.5
assign (resid 92 and name hd1# ) (resid 92 and name hb ) 4.6 2.8 0.7 
!Tyr 93
assign (resid 93 and name hn ) (resid 93 and name hd2 ) 2.9 1.1 0.6 
assign (resid 93 and name hn ) (resid 73 and name ha ) 3.6 1.8 1.7 
assign (resid 93 and name hn ) (resid 73 and name hb# ) 3.5 1.7 1.8 
assign (resid 93 and name hn ) (resid 92 and name ha ) 2.6 0.8 0.1
assign (resid 93 and name hn ) (resid 93 and name hb2 ) 3.2 1.4 0.3 
assign (resid 93 and name hn ) (resid 92 and name hg2# ) 4.4 2.6 0.9
assign (resid 93 and name hn ) (resid 92 and name hd1# ) 5.2 3.4 0.1  
assign (resid 93 and name hn ) (resid 93 and name ha ) 4.8 3.0 0.5 
assign (resid 93 and name hn ) (resid 92 and name hb ) 4.5 2.7 0.8
assign (resid 93 and name hn ) (resid 93 and name hb1 ) 3.7 1.9 1.6  
assign (resid 93 and name ha ) (resid 99 and name hg2# ) 4.8 3.0 0.5 
assign (resid 93 and name ha ) (resid 98 and name ha ) 2.6 0.8 0.9 
assign (resid 93 and name ha ) (resid 93 and name hb1 ) 2.8 1.0 0.7 
assign (resid 93 and name ha ) (resid 93 and name hb2 ) 3.2 1.4 0.3 
assign (resid 93 and name hd2 ) (resid 92 and name hg2# ) 5.6 3.8 0.9
assign (resid 93 and name hd1 ) (resid 98 and name he# ) 5.7 3.9 0.8
assign (resid 93 and name hd1 ) (resid 98 and name hb2 ) 3.5 1.7 1.8
assign (resid 93 and name hd1 ) (resid 98 and name ha ) 3.5 1.7 1.8
assign (resid 93 and name hd1 ) (resid 97 and name hb1 ) 5.5 3.7 1.0 
assign (resid 93 and name hd1 ) (resid 96 and name ha2 ) 4.5 2.7 0.8
assign (resid 93 and name hd1 ) (resid 98 and name hn ) 3.3 1.5 0.2
assign (resid 93 and name hd1 ) (resid 97 and name ha ) 4.5 2.7 0.8
assign (resid 93 and name hd2 ) (resid 92 and name ha ) 3.5 1.7 1.8
assign (resid 93 and name hd# ) (resid 93 and name ha ) 3.5 1.7 1.8
assign (resid 93 and name hd# ) (resid 93 and name hb1 ) 3.6 1.8 1.7 
assign (resid 93 and name hd# ) (resid 93 and name hb2 ) 3.5 1.7 1.8 
assign (resid 93 and name hd1 ) (resid 94 and name hn ) 3.7 1.9 1.6
assign (resid 93 and name hd2 ) (resid 73 and name hn ) 4.3 2.5 1.0
assign (resid 93 and name hd1 ) (resid 93 and name he1 ) 2.5 0.7 0.2
assign (resid 93 and name hd2 ) (resid 73 and name hb# ) 4.0 2.2 1.3
assign (resid 93 and name hd2 ) (resid 9 and name hg2 ) 4.7 2.9 0.6 
assign (resid 93 and name he2 ) (resid 91 and name hb2 ) 2.8 1.0 0.7 
assign (resid 93 and name he2 ) (resid 91 and name hb1 ) 3.0 1.2 0.5 
assign (resid 93 and name he# ) (resid 93 and name hb1 ) 5.4 3.6 1.1 
assign (resid 93 and name he# ) (resid 93 and name hb2 ) 5.4 3.6 1.1 
assign (resid 93 and name he2 ) (resid 73 and name hb# ) 5.5 3.7 1.0 
assign (resid 93 and name he1 ) (resid 98 and name hb2 ) 2.8 1.0 0.7  
assign (resid 93 and name he1 ) (resid 98 and name he# ) 5.1 3.3 0.2
assign (resid 93 and name he1 ) (resid 93 and name hb1 ) 4.9 3.1 0.4 
assign (resid 93 and name he2 ) (resid 75 and name hb1 ) 3.0 1.2 0.5 
assign (resid 93 and name he2 ) (resid 91 and name hd2 ) 4.4 2.6 0.9
assign (resid 93 and name he2 ) (resid 75 and name ha ) 4.6 2.8 0.7
assign (resid 93 and name he2 ) (resid 9 and name hg2 ) 4.2 2.4 1.1 
!Ala 94
assign (resid 94 and name hn ) (resid 97 and name hn ) 3.0 1.2 0.5 
assign (resid 94 and name hn ) (resid 93 and name hd1 ) 3.8 2.0 1.5
assign (resid 94 and name hn ) (resid 99 and name hg2# ) 4.6 2.8 0.7
assign (resid 94 and name hn ) (resid 94 and name hb# ) 3.9 2.1 1.4
assign (resid 94 and name hn ) (resid 92 and name hg2# ) 5.8 4.0 0.7
assign (resid 94 and name hn ) (resid 94 and name ha ) 3.7 1.9 1.6 
assign (resid 94 and name hn ) (resid 93 and name ha ) 2.6 0.8 0.9
assign (resid 94 and name hn ) (resid 93 and name hb1 ) 4.0 2.2 1.3
assign (resid 94 and name hn ) (resid 93 and name hb2 ) 4.9 3.1 0.4 
assign (resid 94 and name hn ) (resid 97 and name hb1 ) 5.0 3.2 0.3  
assign (resid 94 and name hn ) (resid 98 and name ha ) 3.5 1.7 1.8
assign (resid 94 and name hn ) (resid 65 and name he# ) 4.5 2.7 0.8
assign (resid 94 and name ha ) (resid 94 and name hb# ) 4.1 2.3 1.2 
assign (resid 94 and name ha ) (resid 66 and name hg1# ) 5.8 4.0 0.7   
assign (resid 94 and name ha ) (resid 72 and name hd1# ) 5.9 4.1 0.6
assign (resid 94 and name ha ) (resid 72 and name hg2# ) 6.0 5.2 0.5
assign (resid 94 and name ha ) (resid 69 and name hb#) 4.5 2.7 0.8
!Asp 95
assign (resid 95 and name hn ) (resid 94 and name hn ) 4.0 2.2 1.3     
assign (resid 95 and name hn ) (resid 96 and name hn ) 2.7 0.9 0.8
assign (resid 95 and name hn ) (resid 71 and name hn ) 3.6 1.8 1.7
assign (resid 95 and name hn ) (resid 97 and name hn ) 3.5 1.7 1.8
assign (resid 95 and name hn ) (resid 94 and name ha ) 2.6 0.8 0.9
assign (resid 95 and name hn ) (resid 95 and name hb2 ) 4.7 2.9 0.6  
assign (resid 95 and name hn ) (resid 95 and name hb1 ) 4.8 3.0 0.5 
assign (resid 95 and name hn ) (resid 94 and name hb# ) 4.4 2.6 0.9
assign (resid 95 and name hn ) (resid 69 and name hb# ) 4.6 2.8 0.7
assign (resid 95 and name hn ) (resid 71 and name hb2 ) 3.6 1.8 1.7 
assign (resid 95 and name hn ) (resid 71 and name hb1 ) 4.2 2.4 1.1  
assign (resid 95 and name hn ) (resid 95 and name ha ) 2.9 1.1 0.6 
assign (resid 95 and name hn ) (resid 72 and name ha ) 3.7 1.9 1.6  
assign (resid 95 and name ha ) (resid 95 and name hb2 ) 3.3 1.5 0.2 
assign (resid 95 and name ha ) (resid 95 and name hb1 ) 2.7 0.9 0.8 
!Gly 96
assign (resid 96 and name hn ) (resid 97 and name hn ) 3.0 1.2 0.5   
assign (resid 96 and name hn ) (resid 96 and name ha1 ) 2.9 1.1 0.6
assign (resid 96 and name hn ) (resid 96 and name ha2 ) 2.8 1.0 0.7
assign (resid 96 and name hn ) (resid 95 and name hb2 ) 4.8 3.0 0.5 
assign (resid 96 and name hn ) (resid 95 and name ha ) 3.0 1.2 0.5 
assign (resid 96 and name hn ) (resid 94 and name ha ) 4.5 2.7 0.8 
assign (resid 96 and name hn ) (resid 71 and name hn ) 5.6 2.8 0.9 
assign (resid 96 and name hn ) (resid 71 and name hb2 ) 4.3 2.5 1.0 
assign (resid 96 and name hn ) (resid 93 and name hd1 ) 5.0 3.2 0.3   
!Lys 97
assign (resid 97 and name hn ) (resid 95 and name hb2 ) 3.4 1.6 0.1 
assign (resid 97 and name hn ) (resid 97 and name hb2 ) 2.7 0.9 0.8 
assign (resid 97 and name hn ) (resid 97 and name hg1 ) 2.8 1.0 0.7    
assign (resid 97 and name hn ) (resid 97 and name hg2 ) 3.9 2.1 1.4    
assign (resid 97 and name hn ) (resid 96 and name ha1 ) 2.9 1.1 0.6
assign (resid 97 and name hn ) (resid 96 and name ha2 ) 3.1 1.3 0.4
assign (resid 97 and name hn ) (resid 94 and name ha ) 4.0 2.2 1.3
assign (resid 97 and name hn ) (resid 95 and name ha ) 3.8 2.0 1.5 
assign (resid 97 and name hn ) (resid 93 and name ha ) 4.5 2.7 0.8 
assign (resid 97 and name hn ) (resid 97 and name ha ) 4.3 2.5 1.0
assign (resid 97 and name hn ) (resid 97 and name he# ) 4.2 2.4 1.1        
assign (resid 97 and name hn ) (resid 97 and name hb1 ) 4.0 2.2 1.3
assign (resid 97 and name ha ) (resid 97 and name hb1 ) 2.6 0.8 0.9
!Met 98
assign (resid 98 and name hn ) (resid 97 and name ha ) 3.0 1.2 0.5   
assign (resid 98 and name hn ) (resid 98 and name hb1 ) 4.2 2.4 1.1  
assign (resid 98 and name hn ) (resid 98 and name hb2 ) 2.7 0.9 0.8  
assign (resid 98 and name hn ) (resid 98 and name he# ) 5.4 3.6 1.1      
assign (resid 98 and name hn ) (resid 97 and name hb1 ) 3.0 1.2 0.5
assign (resid 98 and name hn ) (resid 98 and name ha ) 3.1 1.3 0.4    
assign (resid 98 and name hn ) (resid 101 and name hn ) 5.0 3.2 0.3 
assign (resid 98 and name hn ) (resid 97 and name hg# ) 5.0 3.2 0.3 
assign (resid 98 and name hn ) (resid 93 and name he1 ) 3.6 1.8 1.7   
assign (resid 98 and name hn ) (resid 93 and name hd1 ) 3.5 1.7 1.8  
assign (resid 98 and name ha ) (resid 98 and name he# ) 5.6 3.8 0.9
assign (resid 98 and name ha ) (resid 98 and name hb2 ) 2.8 1.0 0.7
assign (resid 98 and name ha ) (resid 99 and name hb ) 4.4 2.6 0.9
assign (resid 98 and name ha ) (resid 101 and name hb1 ) 5.2 3.4 1.3
assign (resid 98 and name ha ) (resid 101 and name hb2 ) 5.6 3.8 0.9
!Val 99
assign (resid 99 and name hn ) (resid 99 and name ha ) 3.0 1.2 0.5  
assign (resid 99 and name hn ) (resid 98 and name ha ) 2.9 1.1 0.6  
assign (resid 99 and name hn ) (resid 93 and name ha ) 3.2 1.4 0.3  
assign (resid 99 and name hn ) (resid 102 and name hn ) 5.0 3.2 0.3
assign (resid 99 and name hn ) (resid 98 and name hn ) 4.0 2.2 1.3
assign (resid 99 and name hn ) (resid 100 and name hn ) 3.0 1.2 0.5
assign (resid 99 and name hn ) (resid 101 and name hn ) 3.8 2.0 1.5
assign (resid 99 and name hn ) (resid 98 and name hb2 ) 4.8 3.0 0.5   
assign (resid 99 and name hn ) (resid 98 and name hb1 ) 4.8 3.0 0.5   
assign (resid 99 and name hn ) (resid 99 and name hb ) 3.0 1.2 0.5  
assign (resid 99 and name hn ) (resid 99 and name hg1# ) 4.6 2.8 0.7  
assign (resid 99 and name hn ) (resid 99 and name hg2# ) 4.0 2.2 1.3  
assign (resid 99 and name hn ) (resid 92 and name hg2# ) 5.3 3.4 1.2
assign (resid 99 and name hn ) (resid 94 and name hb# ) 6.0 4.2 0.5        
assign (resid 99 and name ha ) (resid 99 and name hg2# ) 3.8 2.0 1.5 
assign (resid 99 and name ha ) (resid 99 and name hg1# ) 4.1 2.3 1.2 
assign (resid 99 and name ha ) (resid 65 and name he# ) 4.3 2.5 1.0
assign (resid 99 and name ha ) (resid 102 and name hn ) 4.0 2.2 1.3   
assign (resid 99 and name ha ) (resid 99 and name hb ) 2.6 0.8 0.9   
assign (resid 99 and name ha ) (resid 102 and name hb# ) 4.4 2.6 0.9
!Asn 100
assign (resid 100 and name hn ) (resid 99 and name ha ) 4.0 2.2 1.3 
assign (resid 100 and name hn ) (resid 98 and name ha ) 3.7 1.9 1.6
assign (resid 100 and name hn ) (resid 102 and name hn ) 3.9 2.1 1.4
assign (resid 100 and name hn ) (resid 92 and name hn ) 3.3 1.5 0.2 
assign (resid 100 and name hn ) (resid 36 and name hd1# ) 5.0 3.2 0.3
assign (resid 100 and name hn ) (resid 92 and name hb ) 4.0 2.2 1.3
assign (resid 100 and name hn ) (resid 36 and name hd2# ) 5.0 3.2 0.3
assign (resid 100 and name hn ) (resid 99 and name hb ) 2.8 1.0 0.7 
assign (resid 100 and name hn ) (resid 99 and name hg2# ) 4.7 2.9 0.6
assign (resid 100 and name hn ) (resid 99 and name hg1# ) 4.7 2.9 0.6 
assign (resid 100 and name hn ) (resid 100 and name hb1 ) 4.0 2.2 1.3 
assign (resid 100 and name hn ) (resid 100 and name hb2 ) 3.2 1.4 0.3 
assign (resid 100 and name hn ) (resid 100 and name ha ) 2.9 1.1 0.6  
assign (resid 100 and name hn ) (resid 101 and name hn ) 3.0 1.2 0.5
assign (resid 100 and name hn ) (resid 98 and name hb2 ) 5.0 3.2 0.3        
assign (resid 100 and name hn ) (resid 98 and name hb1 ) 4.0 2.2 1.3        
assign (resid 100 and name ha ) (resid 100 and name hb1 ) 2.7 0.9 0.8  
assign (resid 100 and name ha ) (resid 100 and name hb2 ) 3.5 1.7 1.8 
assign (resid 100 and name ha ) (resid 103 and name hb2 ) 3.6 1.8 1.7 
assign (resid 100 and name hd22 ) (resid 36 and name hb1 ) 4.3 2.5 1.0   
assign (resid 100 and name hd22 ) (resid 36 and name hb2 ) 4.6 2.8 0.7   
assign (resid 100 and name hd22 ) (resid 100 and name hb1 ) 3.7 1.9 1.6 
assign (resid 100 and name hd22 ) (resid 100 and name hb2 ) 5.6 3.8 0.9 
assign (resid 100 and name hd22 ) (resid 37 and name hn ) 3.7 1.9 1.6
assign (resid 100 and name hd22 ) (resid 37 and name hb1 ) 4.9 3.1 0.4 
assign (resid 100 and name hd22 ) (resid 36 and name hd2# ) 5.0 3.2 0.3       
assign (resid 100 and name hd22 ) (resid 36 and name hd1# ) 5.4 3.6 1.1       
assign (resid 100 and name hd22 ) (resid 39 and name hg1# ) 6.0 4.2 0.5 
assign (resid 100 and name hd21 ) (resid 36 and name hb1 ) 4.5 2.7 0.8 
assign (resid 100 and name hd21 ) (resid 100 and name hb1 ) 3.1 1.3 0.4 
assign (resid 100 and name hd21 ) (resid 100 and name hb2 ) 3.5 1.7 1.8
assign (resid 100 and name hd21 ) (resid 37 and name hn ) 3.8 2.0 1.5 
assign (resid 100 and name hd21 ) (resid 37 and name hb1 ) 4.6 2.8 0.7  
assign (resid 100 and name hd21 ) (resid 39 and name hg1# ) 4.8 3.0 0.5 
assign (resid 100 and name hd21 ) (resid 36 and name hd2# ) 4.8 3.0 0.5    
!Glu 101
assign (resid 101 and name hn ) (resid 102 and name hb# ) 5.9 4.1 0.6
assign (resid 101 and name hn ) (resid 125 and name hd1# ) 6.0 4.2 0.5
assign (resid 101 and name hn ) (resid 101 and name hb2 ) 2.8 1.0 0.7 
assign (resid 101 and name hn ) (resid 98 and name he# ) 5.7 3.9 0.8  
assign (resid 101 and name hn ) (resid 125 and name hd2# ) 4.4 2.6 0.9 
assign (resid 101 and name hn ) (resid 101 and name hb1 ) 3.1 1.3 0.4 
assign (resid 101 and name hn ) (resid 100 and name hb2 ) 3.2 1.4 0.3 
assign (resid 101 and name hn ) (resid 100 and name hb1 ) 3.8 2.0 1.5 
assign (resid 101 and name hn ) (resid 100 and name ha ) 3.6 1.8 1.7
assign (resid 101 and name hn ) (resid 101 and name ha ) 3.0 1.2 0.5
assign (resid 101 and name hn ) (resid 102 and name hn ) 2.7 0.9 0.8  
assign (resid 101 and name hn ) (resid 103 and name hn ) 3.9 2.1 1.4   
assign (resid 101 and name hn ) (resid 100 and name hn ) 2.9 1.1 0.6
assign (resid 101 and name ha ) (resid 125 and name hd2# ) 3.5 1.7 1.8 
assign (resid 101 and name ha ) (resid 101 and name hb2 ) 2.5 0.7 0.2
assign (resid 101 and name ha ) (resid 104 and name hb ) 2.7 0.9 0.8
assign (resid 101 and name ha ) (resid 104 and name hg* ) 4.6 2.8 0.7 
assign (resid 101 and name ha ) (resid 101 and name hb1 ) 2.8 1.0 0.7
!Ala 102
assign (resid 102 and name hn ) (resid 101 and name hb2 ) 3.9 2.1 1.4 
assign (resid 102 and name hn ) (resid 125 and name hd2#) 6.0 4.2 0.5 
assign (resid 102 and name hn ) (resid 102 and name hb# ) 3.6 1.8 1.7
assign (resid 102 and name hn ) (resid 101 and name hb1 ) 2.8 1.0 0.7 
assign (resid 102 and name hn ) (resid 101 and name ha ) 3.0 1.2 0.5
assign (resid 102 and name hn ) (resid 102 and name ha ) 2.7 0.9 0.8
assign (resid 102 and name hn ) (resid 103 and name hg ) 4.9 3.1 0.4
assign (resid 102 and name hn ) (resid 61 and name he2 ) 5.5 3.7 0.8 
assign (resid 102 and name hn ) (resid 104 and name hb ) 4.1 2.3 1.2 
assign (resid 102 and name hn ) (resid 99 and name hg1# ) 5.6 3.8 0.9  
assign (resid 102 and name ha ) (resid 102 and name hb# ) 4.1 2.3 1.2
assign (resid 102 and name ha ) (resid 105 and name hb1 ) 2.7 0.9 0.8 
!Leu 103
assign (resid 103 and name hn ) (resid 103 and name ha ) 2.8 1.0 0.7
assign (resid 103 and name hn ) (resid 103 and name hd* ) 4.2 2.4 1.1
assign (resid 103 and name hn ) (resid 99 and name ha ) 3.9 2.1 1.4
assign (resid 103 and name hn ) (resid 103 and name hb2 ) 2.3 0.5 0.4 
assign (resid 103 and name hn ) (resid 103 and name hg ) 2.6 0.8 0.9  
assign (resid 103 and name hn ) (resid 102 and name ha ) 3.0 1.2 0.5
assign (resid 103 and name hn ) (resid 61 and name he2 ) 3.5 1.7 1.8
assign (resid 103 and name hn ) (resid 104 and name hn ) 2.7 0.9 0.8
assign (resid 103 and name hn ) (resid 102 and name hn ) 2.8 1.0 0.7
assign (resid 103 and name hn ) (resid 104 and name hb ) 5.0 3.2 0.3
assign (resid 103 and name hn ) (resid 101 and name hb2 ) 5.9 4.1 0.6  
assign (resid 103 and name hn ) (resid 102 and name hb# ) 3.5 1.7 1.8   
assign (resid 103 and name hn ) (resid 100 and name ha ) 3.6 1.8 1.7  
assign (resid 103 and name ha ) (resid 103 and name hg ) 2.7 0.9 0.8  
assign (resid 103 and name ha ) (resid 103 and name hb2 ) 2.8 1.0 0.7 
assign (resid 103 and name ha ) (resid 106 and name hb1 ) 5.0 3.2 0.3  
assign (resid 103 and name ha ) (resid 103 and name hd1# ) 3.9 2.1 1.4  
assign (resid 103 and name ha ) (resid 108 and name hb2 ) 3.3 1.5 0.2 
assign (resid 103 and name ha ) (resid 108 and name hd1# ) 4.5 2.7 0.8 
assign (resid 103 and name ha ) (resid 106 and name hb2 ) 3.0 1.2 0.5 
!Val 104
assign (resid 104 and name hn ) (resid 103 and name hb2 ) 2.7 0.9 0.8  
assign (resid 104 and name hn ) (resid 103 and name hg ) 3.5 1.7 1.8       
assign (resid 104 and name hn ) (resid 103 and name hb1 ) 3.6 1.8 1.7    
assign (resid 104 and name hn ) (resid 101 and name ha ) 3.5 1.7 1.8
assign (resid 104 and name hn ) (resid 104 and name hb ) 2.5 0.7 0.2
assign (resid 104 and name hn ) (resid 104 and name hg2# ) 3.8 2.0 1.5
assign (resid 104 and name hn ) (resid 104 and name hg1# ) 4.2 2.4 1.1
assign (resid 104 and name hn ) (resid 103 and name ha ) 3.6 1.8 1.7  
assign (resid 104 and name hn ) (resid 104 and name ha ) 3.3 1.5 0.2 
assign (resid 104 and name ha ) (resid 104 and name hb ) 3.0 1.2 0.5
assign (resid 104 and name hn ) (resid 100 and name ha ) 5.0 3.2 0.3
assign (resid 104 and name hn ) (resid 102 and name ha ) 4.5 2.7 0.8
assign (resid 104 and name hn ) (resid 103 and name hd1# ) 5.5 3.7 1.0 
assign (resid 104 and name hn ) (resid 39 and name hg1# ) 5.0 3.2 0.3 
assign (resid 104 and name hn ) (resid 102 and name hn ) 3.5 1.7 1.8 
assign (resid 104 and name hn ) (resid 105 and name hn ) 2.7 0.9 0.8
assign (resid 104 and name hn ) (resid 106 and name hn ) 4.5 2.7 0.8   
assign (resid 104 and name ha ) (resid 104 and name hg* ) 3.8 2.0 1.5
assign (resid 104 and name ha ) (resid 39 and name hg1# ) 5.9 4.1 0.6 
!Arg 105
assign (resid 105 and name hn ) (resid 106 and name hn ) 2.9 1.1 0.6
assign (resid 105 and name hn ) (resid 103 and name hn ) 4.5 2.7 0.8
assign (resid 105 and name hn ) (resid 107 and name hn ) 3.7 1.9 1.6
assign (resid 105 and name hn ) (resid 105 and name hb1 ) 2.6 0.8 0.1 
assign (resid 105 and name hn ) (resid 104 and name hb ) 2.6 0.8 0.1
assign (resid 105 and name hn ) (resid 104 and name hg2# ) 4.6 2.8 0.7  
assign (resid 105 and name hn ) (resid 106 and name hb2 ) 5.0 3.2 0.3        
assign (resid 105 and name hn ) (resid 105 and name ha ) 2.8 1.0 0.7
assign (resid 105 and name hn ) (resid 102 and name ha ) 3.0 1.2 0.5 
assign (resid 105 and name hn ) (resid 101 and name ha ) 3.9 2.1 1.4
assign (resid 105 and name hn ) (resid 103 and name hb2 ) 5.0 3.2 0.3 
assign (resid 105 and name hn ) (resid 106 and name ha ) 5.5 3.7 1.0
assign (resid 105 and name hn ) (resid 104 and name ha ) 4.0 2.2 1.3
assign (resid 105 and name hn ) (resid 128 and name hb# ) 5.0 3.2 0.3
!Glu 106
assign (resid 106 and name hn ) (resid 106 and name hb1 ) 3.6 1.8 1.7 
assign (resid 106 and name hn ) (resid 105 and name hb1 ) 3.7 1.9 1.6       
assign (resid 106 and name hn ) (resid 106 and name hb2 ) 2.7 1.9 0.8      
assign (resid 106 and name hn ) (resid 106 and name hg# ) 4.0 2.2 1.3
assign (resid 106 and name hn ) (resid 106 and name ha ) 3.2 1.4 0.3
assign (resid 106 and name hn ) (resid 103 and name ha ) 3.9 2.1 1.4
assign (resid 106 and name hn ) (resid 105 and name ha ) 3.8 2.0 1.5 
assign (resid 106 and name hn ) (resid 108 and name hn ) 3.7 1.9 1.6
assign (resid 106 and name ha ) (resid 106 and name hb2 ) 3.1 1.3 0.4 
assign (resid 106 and name ha ) (resid 106 and name hb1 ) 2.9 1.1 0.6 
assign (resid 106 and name ha ) (resid 105 and name hb1 ) 4.0 2.2 1.3
!Gly 107
assign (resid 107 and name hn ) (resid 109 and name hn ) 3.5 1.7 1.8    
assign (resid 107 and name hn ) (resid 106 and name hn ) 2.8 1.0 0.7 
assign (resid 107 and name hn ) (resid 108 and name hn ) 2.7 0.9 0.8
assign (resid 107 and name hn ) (resid 107 and name ha1 ) 2.9 1.1 0.6       
assign (resid 107 and name hn ) (resid 107 and name ha2 ) 2.7 0.9 0.8
assign (resid 107 and name hn ) (resid 105 and name hb1 ) 3.6 1.8 1.7 
assign (resid 107 and name hn ) (resid 104 and name hg1# ) 5.4 3.6 1.1 
assign (resid 107 and name hn ) (resid 106 and name hb2 ) 3.6 1.8 1.7 
assign (resid 107 and name hn ) (resid 132 and name hb# ) 4.3 2.5 1.0
assign (resid 107 and name hn ) (resid 108 and name hb2 ) 5.0 3.2 0.3 
assign (resid 107 and name ha1 ) (resid 138 and name hb2 ) 3.3 1.5 0.2 
!Leu 108
assign (resid 108 and name hn ) (resid 109 and name hn ) 2.5 0.7 0.2
assign (resid 108 and name hn ) (resid 108 and name hg ) 2.9 1.1 0.6       
assign (resid 108 and name hn ) (resid 108 and name hb2 ) 3.0 1.2 0.5 
assign (resid 108 and name hn ) (resid 108 and name hb1 ) 3.6 1.8 1.7 
assign (resid 108 and name hn ) (resid 103 and name ha ) 3.8 2.0 1.5
assign (resid 108 and name hn ) (resid 107 and name ha1 ) 3.5 1.7 1.8       
assign (resid 108 and name hn ) (resid 108 and name ha ) 3.2 1.4 0.3         
assign (resid 108 and name hn ) (resid 108 and name hd1# ) 5.0 3.2 0.3 
assign (resid 108 and name hn ) (resid 108 and name hd2# ) 4.6 2.8 0.7 
assign (resid 108 and name ha ) (resid 108 and name hd2# ) 4.2 2.4 1.1
assign (resid 108 and name ha ) (resid 108 and name hb1 ) 3.6 1.8 1.7  
assign (resid 108 and name ha ) (resid 108 and name hg ) 3.5 1.7 1.8
assign (resid 108 and name hd1# ) (resid 108 and name hg ) 3.8 2.0 1.5
assign (resid 108 and name hd2# ) (resid 108 and name hg ) 3.8 2.0 1.5
!Ala 109
assign (resid 109 and name hn ) (resid 108 and name ha ) 3.2 1.4 0.3  
assign (resid 109 and name hn ) (resid 104 and name ha ) 3.5 1.7 1.8
assign (resid 109 and name hn ) (resid 108 and name hg ) 4.3 2.5 1.0
assign (resid 109 and name hn ) (resid 109 and name hb# ) 4.2 2.4 1.1
assign (resid 109 and name hn ) (resid 139 and name hd1# ) 4.8 3.0 0.5
assign (resid 109 and name hn ) (resid 139 and name hg12 ) 4.6 2.8 0.7 
assign (resid 109 and name hn ) (resid 108 and name hd2# ) 5.5 3.7 1.0
assign (resid 109 and name hn ) (resid 103 and name ha ) 5.4 3.6 1.1
assign (resid 109 and name hn ) (resid 109 and name ha ) 3.2 1.4 0.3
assign (resid 109 and name hn ) (resid 108 and name hb1 ) 5.4 3.6 1.1 
assign (resid 109 and name ha ) (resid 109 and name hb# ) 4.8 3.0 0.5
assign (resid 109 and name ha ) (resid 41 and name hg2# ) 5.2 3.4 0.1 
!Lys 110
assign (resid 110 and name hn ) (resid 139 and name hd1# ) 6.0 4.2 0.5   
assign (resid 110 and name hn ) (resid 110 and name hb# ) 2.8 1.0 0.7   
assign (resid 110 and name hn ) (resid 109 and name hb# ) 4.0 2.2 1.3
assign (resid 110 and name hn ) (resid 110 and name ha ) 3.7 1.9 1.6
assign (resid 110 and name hn ) (resid 109 and name ha ) 3.0 1.2 0.5 
assign (resid 110 and name hn ) (resid 40 and name hb2 ) 3.2 1.4 0.3    
assign (resid 110 and name hn ) (resid 40 and name hb1 ) 4.0 2.2 1.3    
assign (resid 110 and name hn ) (resid 40 and name hn ) 3.3 1.5 0.2  
assign (resid 110 and name ha ) (resid 110 and name hb# ) 2.5 0.7 0.2    
!Val 111
assign (resid 111 and name hn ) (resid 110 and name hn ) 4.6 2.8 0.7 
assign (resid 111 and name hn ) (resid 110 and name ha ) 2.8 1.0 0.7
assign (resid 111 and name hn ) (resid 110 and name hb# ) 3.3 1.5 0.2
assign (resid 111 and name hn ) (resid 111 and name hb ) 2.6 0.8 0.9
assign (resid 111 and name hn ) (resid 111 and name hg2# ) 4.0 2.2 1.3 
assign (resid 111 and name hn ) (resid 111 and name hg1# ) 4.0 2.2 1.3   
assign (resid 111 and name ha ) (resid 111 and name hg2# ) 4.9 3.1 0.4 
assign (resid 111 and name ha ) (resid 111 and name hg1# ) 5.7 3.9 0.8 
!Ala 112
assign (resid 112 and name hn ) (resid 39 and name ha ) 3.1 1.3 0.4     
assign (resid 112 and name hn ) (resid 111 and name ha ) 3.2 1.4 0.3 
assign (resid 112 and name hn ) (resid 111 and name hb ) 3.6 1.8 1.7
assign (resid 112 and name hn ) (resid 112 and name hb# ) 3.0 1.2 0.5
assign (resid 112 and name hn ) (resid 112 and name ha ) 3.2 1.4 0.3  
assign (resid 112 and name hn ) (resid 39 and name hn ) 4.5 2.7 0.8
assign (resid 112 and name hn ) (resid 111 and name hn ) 4.6 2.8 0.7
assign (resid 112 and name hn ) (resid 114 and name hg2# ) 5.4 3.6 1.1  
assign (resid 112 and name hn ) (resid 39 and name hg1# ) 5.0 3.2 0.3 
assign (resid 112 and name hn ) (resid 39 and name hb ) 5.0 3.2 0.3   
assign (resid 112 and name hn ) (resid 38 and name ha ) 3.6 1.8 1.7  
assign (resid 112 and name ha ) (resid 112 and name hb# ) 4.4 2.6 0.9
!Tyr 113
assign (resid 113 and name hn ) (resid 112 and name ha ) 2.5 0.7 0.2
assign (resid 113 and name hn ) (resid 113 and name ha ) 3.0 1.2 0.5
assign (resid 113 and name hn ) (resid 113 and name hb1 ) 2.9 1.1 0.6 
assign (resid 113 and name hn ) (resid 113 and name hb2 ) 2.9 1.1 0.6 
assign (resid 113 and name hn ) (resid 114 and name hg2# ) 6.0 4.2 0.5 
assign (resid 113 and name hn ) (resid 114 and name hn ) 4.8 3.0 0.5
assign (resid 113 and name hn ) (resid 112 and name hb# ) 3.8 1.8 1.5 
assign (resid 113 and name hn ) (resid 113 and name hd1 ) 5.0 3.2 0.3 
assign (resid 113 and name hd2 ) (resid 113 and name hb1 ) 3.5 1.7 1.8  
assign (resid 113 and name hd1 ) (resid 113 and name hb2 ) 3.7 1.9 1.6 
assign (resid 113 and name hd2 ) (resid 113 and name ha ) 2.9 1.1 0.6 
assign (resid 113 and name hd1 ) (resid 113 and name he1 ) 2.2 0.4 0.5 
assign (resid 113 and name he2 ) (resid 113 and name ha ) 5.3 3.5 1.2
!Val 114
assign (resid 114 and name hn ) (resid 114 and name hg2# ) 3.9 2.1 1.4    
assign (resid 114 and name hn ) (resid 114 and name hb ) 2.6 0.8 0.1 
assign (resid 114 and name hn ) (resid 114 and name ha ) 3.1 1.3 0.4
assign (resid 114 and name hn ) (resid 113 and name hb1 ) 4.0 2.2 1.3 
assign (resid 114 and name hn ) (resid 113 and name hb2 ) 4.6 2.8 0.7 
assign (resid 114 and name hn ) (resid 113 and name ha ) 2.6 0.8 0.1
assign (resid 114 and name ha ) (resid 114 and name hg2# ) 3.9 2.1 1.4 
assign (resid 114 and name ha ) (resid 114 and name hg1# ) 3.9 2.1 1.4  
assign (resid 114 and name ha ) (resid 38 and name hd2# ) 4.1 2.3 1.2 
assign (resid 114 and name ha ) (resid 114 and name hb ) 3.0 1.2 0.5  
assign (resid 114 and name hg2# ) (resid 111 and name hg1# ) 6.0 4.2 0.5  
!Tyr 115 
assign (resid 115 and name hn ) (resid 114 and name hg1# ) 4.3 2.5 1.0     
assign (resid 115 and name hn ) (resid 114 and name hb ) 3.9 2.1 1.4  
assign (resid 115 and name hn ) (resid 115 and name hb2 ) 2.8 1.0 0.7 
assign (resid 115 and name hn ) (resid 115 and name hb1 ) 3.7 1.9 1.6
assign (resid 115 and name hn ) (resid 114 and name ha ) 2.4 0.6 0.3 
assign (resid 115 and name hn ) (resid 115 and name ha ) 3.2 1.4 0.3 
assign (resid 115 and name hn ) (resid 114 and name hn ) 4.6 2.8 0.7   
assign (resid 115 and name hn ) (resid 116 and name hn ) 4.5 2.7 0.8
assign (resid 115 and name hn ) (resid 38 and name hd2# ) 5.0 3.2 0.3 
assign (resid 115 and name ha ) (resid 115 and name hb2 ) 3.1 1.3 0.4  
assign (resid 115 and name ha ) (resid 115 and name hb1 ) 2.8 1.0 0.7
assign (resid 115 and name hd1 ) (resid 115 and name ha ) 4.0 2.2 1.3
assign (resid 115 and name hd1 ) (resid 115 and name he1 ) 2.3 0.5 0.4
assign (resid 115 and name hd2 ) (resid 115 and name hn ) 5.3 3.5 1.2 
assign (resid 115 and name hd# ) (resid 115 and name hb2 ) 3.7 1.9 1.6 
assign (resid 115 and name hd# ) (resid 115 and name hb1 ) 3.7 1.9 1.6
assign (resid 115 and name hd1 ) (resid 113 and name hb1 ) 5.0 3.2 0.3
assign (resid 115 and name he1 ) (resid 113 and name hb1 ) 3.7 1.9 1.6 
!Lys 116
assign (resid 116 and name hn ) (resid 115 and name ha ) 2.7 0.9 0.8 
assign (resid 116 and name hn ) (resid 115 and name hd2 ) 5.5 3.7 1.0  
assign (resid 116 and name hn ) (resid 115 and name hb1 ) 3.8 2.0 1.5 
assign (resid 116 and name hn ) (resid 116 and name hg2 ) 3.1 1.3 0.4 
assign (resid 116 and name hn ) (resid 116 and name hg1 ) 3.5 1.7 1.8 
assign (resid 116 and name hn ) (resid 116 and name hb# ) 3.6 1.8 1.7     
assign (resid 116 and name hn ) (resid 116 and name hd# ) 4.6 2.8 0.7     
assign (resid 116 and name hn ) (resid 116 and name ha ) 3.0 1.2 0.5
assign (resid 116 and name hn ) (resid 114 and name hg1# ) 5.7 3.9 0.8 
assign (resid 116 and name ha ) (resid 116 and name hb# ) 2.9 1.1 0.6
!Asn 118
assign (resid 118 and name hn ) (resid 118 and name hb2 ) 2.6 0.8 0.9       
assign (resid 118 and name hn ) (resid 118 and name hb1 ) 5.1 3.3 0.2       
assign (resid 118 and name hn ) (resid 116 and name hb# ) 5.0 3.2 0.3  
assign (resid 118 and name hn ) (resid 116 and name ha ) 2.8 1.0 0.7  
assign (resid 118 and name hn ) (resid 118 and name ha ) 3.3 1.5 0.2  
assign (resid 118 and name hn ) (resid 117 and name hd# ) 5.8 4.0 0.7    
assign (resid 118 and name ha ) (resid 118 and name hb2 ) 2.7 0.9 0.8  
assign (resid 118 and name ha ) (resid 37 and name hd1# ) 5.3 3.5 1.2 
assign (resid 118 and name ha ) (resid 37 and name hd2# ) 5.7 3.9 0.8 
assign (resid 118 and name hd21 ) (resid 89 and name hd* ) 5.6 3.8 0.9 
assign (resid 118 and name hd21 ) (resid 37 and name hd1# ) 5.2 3.4 0.1 
assign (resid 118 and name hd21 ) (resid 37 and name hd2# ) 4.6 2.8 0.7 
assign (resid 118 and name hd21 ) (resid 80 and name hb1 ) 5.6 3.8 0.9  
assign (resid 118 and name hd21 ) (resid 77 and name hb2 ) 5.4 3.6 1.1 
assign (resid 118 and name hd21 ) (resid 118 and name hb2 ) 2.9 1.1 0.6   
assign (resid 118 and name hd22 ) (resid 89 and name hd1# ) 5.2 3.4 0.1
assign (resid 118 and name hd22 ) (resid 37 and name hd1# ) 6.0 4.2 0.5 
assign (resid 118 and name hd22 ) (resid 37 and name hd2# ) 5.8 4.0 0.7
assign (resid 118 and name hd22 ) (resid 80 and name hb1 ) 4.4 2.6 0.9 
assign (resid 118 and name hd22 ) (resid 80 and name hg# ) 5.5 3.7 1.0 
assign (resid 118 and name hd22 ) (resid 118 and name hb2 ) 3.4 1.6 0.1     
!Asn 119
assign (resid 119 and name hn ) (resid 120 and name ha ) 3.9 2.1 1.4   
assign (resid 119 and name hn ) (resid 116 and name ha ) 3.9 2.1 1.4  
assign (resid 119 and name hn ) (resid 118 and name ha ) 2.7 0.9 0.8  
assign (resid 119 and name hn ) (resid 119 and name ha ) 3.5 1.7 1.8  
assign (resid 119 and name hn ) (resid 119 and name hb1 ) 3.2 1.4 0.3
assign (resid 119 and name hn ) (resid 118 and name hn ) 3.8 2.0 1.5  
assign (resid 119 and name ha ) (resid 114 and name hg1# ) 4.6 2.8 0.7 
assign (resid 119 and name ha ) (resid 38 and name hd2# ) 4.6 2.8 0.7 
assign (resid 119 and name ha ) (resid 38 and name hd1# ) 4.5 2.7 0.8  
assign (resid 119 and name ha ) (resid 119 and name hb1 ) 3.2 1.4 0.3   
assign (resid 119 and name ha ) (resid 119 and name hb2 ) 3.4 1.6 0.1   
assign (resid 119 and name hd22 ) (resid 119 and name hb1 ) 3.6 1.8 1.7
assign (resid 119 and name hd22 ) (resid 119 and name hb2 ) 3.5 1.7 1.8 
assign (resid 119 and name hd22 ) (resid 116 and name hg2 ) 4.9 3.1 0.4  
assign (resid 119 and name hd22 ) (resid 114 and name hg# ) 4.5 2.7 0.8  
assign (resid 119 and name hd21 ) (resid 119 and name hb1 ) 3.3 1.5 0.2
assign (resid 119 and name hd21 ) (resid 119 and name hb2 ) 3.2 1.6 0.3 
assign (resid 119 and name hd21 ) (resid 114 and name hg1# ) 5.4 3.6 1.1 
assign (resid 119 and name hd21 ) (resid 116 and name hg2  ) 4.7 2.9 0.6 
assign (resid 119 and name hd21 ) (resid 114 and name hg#  ) 4.0 2.2 1.3 
assign (resid 119 and name hd22 ) (resid 119 and name hd21 ) 1.8 0.0 0.9
!Thr 120
assign (resid 120 and name hn ) (resid 120 and name hg2# ) 5.0 3.2 0.3  
assign (resid 120 and name hn ) (resid 120 and name ha ) 3.0 1.2 0.5 
assign (resid 120 and name hn ) (resid 77 and name ha ) 6.0 4.2 0.5
assign (resid 120 and name hn ) (resid 119 and name ha ) 3.6 1.8 1.7
assign (resid 120 and name hn ) (resid 121 and name hn ) 5.0 3.2 0.3
assign (resid 120 and name hn ) (resid 122 and name hn ) 4.5 2.7 0.8
assign (resid 120 and name hn ) (resid 119 and name hn ) 2.7 0.9 0.8
assign (resid 120 and name hn ) (resid 78 and name hg1 ) 5.7 3.9 0.8 
assign (resid 120 and name ha ) (resid 120 and name hg2# ) 4.5 2.7 0.8 
assign (resid 120 and name hb ) (resid 120 and name hg2# ) 4.2 2.4 1.1 
assign (resid 120 and name hb ) (resid 7 and name hd1# ) 5.6 3.8 0.9   
!His 121
assign (resid 121 and name hn ) (resid 121 and name ha ) 3.5 1.7 1.8   
assign (resid 121 and name hn ) (resid 121 and name hb2 ) 3.4 1.6 0.1
assign (resid 121 and name hn ) (resid 120 and name ha ) 3.1 1.3 0.4  
assign (resid 121 and name hn ) (resid 121 and name hb1 ) 4.2 2.4 1.1
assign (resid 121 and name hn ) (resid 120 and name hb ) 3.7 1.9 1.6
assign (resid 121 and name hn ) (resid 120 and name hg2# ) 5.3 3.5 1.2 
assign (resid 121 and name hn ) (resid 91 and name he# ) 4.5 2.7 0.8 
assign (resid 121 and name hn ) (resid 38 and name hd1# ) 4.6 2.8 0.7 
assign (resid 121 and name ha ) (resid 121 and name hb2 ) 3.1 1.3 0.4
assign (resid 121 and name ha ) (resid 121 and name hb1 ) 2.5 0.7 0.2
assign (resid 121 and name ha ) (resid 120 and name hg2# ) 4.6 2.8 0.7
assign (resid 121 and name ha ) (resid 124 and name hd2# ) 5.5 3.7 1.0
assign (resid 121 and name ha ) (resid 124 and name hb1 ) 2.7 0.9 0.8
assign (resid 121 and name hd2 ) (resid 120 and name hg2# ) 5.5 3.7 1.0
assign (resid 121 and name hd2 ) (resid 121 and name hb2 ) 3.2 1.4 0.3
assign (resid 121 and name hd2 ) (resid 98 and name he# ) 4.1 2.3 1.2
!Glu 122
assign (resid 122 and name hn ) (resid 122 and name ha ) 2.8 1.0 0.7 
assign (resid 122 and name hn ) (resid 122 and name hb2 ) 2.8 1.0 0.7 
assign (resid 122 and name hn ) (resid 122 and name hg# ) 5.0 3.2 0.3 
assign (resid 122 and name hn ) (resid 122 and name hb1 ) 2.7 0.9 0.8
assign (resid 122 and name hn ) (resid 125 and name hd1# ) 6.0 4.2 0.5
assign (resid 122 and name hn ) (resid 119 and name ha ) 3.8 2.0 1.5
assign (resid 122 and name hn ) (resid 121 and name ha ) 3.0 1.2 0.5 
assign (resid 122 and name hn ) (resid 123 and name hn ) 2.9 1.1 0.6
assign (resid 122 and name hn ) (resid 121 and name hn ) 3.0 1.2 0.5
assign (resid 122 and name hn ) (resid 121 and name hb1 ) 4.8 3.0 0.5
assign (resid 122 and name hn ) (resid 38 and name hd1# ) 4.6 2.8 0.7
assign (resid 122 and name hn ) (resid 120 and name ha ) 3.8 2.0 1.5
assign (resid 122 and name hn ) (resid 120 and name hg2# ) 6.0 4.2 0.5
assign (resid 122 and name ha ) (resid 122 and name hb2 ) 2.5 0.7 0.2
assign (resid 122 and name ha ) (resid 122 and name hb1 ) 2.9 1.1 0.6
assign (resid 122 and name ha ) (resid 125 and name hb2 ) 3.0 1.2 0.5      
!Gln 123
assign (resid 123 and name hn ) (resid 122 and name hb2 ) 3.7 1.9 1.6 
assign (resid 123 and name hn ) (resid 124 and name hn ) 2.8 1.0 0.7
assign (resid 123 and name hn ) (resid 123 and name hb1 ) 3.8 2.0 1.5
assign (resid 123 and name hn ) (resid 123 and name hb2 ) 2.5 0.7 0.2
assign (resid 123 and name hn ) (resid 123 and name ha ) 3.0 1.2 0.5  
assign (resid 123 and name hn ) (resid 125 and name hn ) 4.5 2.7 0.8  
assign (resid 123 and name hn ) (resid 124 and name hb1 ) 5.0 3.2 0.3  
assign (resid 123 and name hn ) (resid 121 and name ha ) 3.8 2.0 1.5
assign (resid 123 and name hn ) (resid 122 and name ha ) 3.7 1.9 1.6 
assign (resid 123 and name ha ) (resid 123 and name hb2 ) 2.6 0.8 0.9 
assign (resid 123 and name ha ) (resid 123 and name hb1 ) 2.1 0.3 0.6 
assign (resid 123 and name ha ) (resid 123 and name hg1 ) 4.6 2.8 0.7 
assign (resid 123 and name ha ) (resid 126 and name hb2 ) 2.7 0.9 0.8     
!Leu 124
assign (resid 124 and name hn ) (resid 123 and name hb1 ) 4.7 2.9 0.6 
assign (resid 124 and name hn ) (resid 123 and name hb2 ) 2.8 1.0 0.7
assign (resid 124 and name hn ) (resid 124 and name ha ) 3.2 1.4 0.3
assign (resid 124 and name hn ) (resid 124 and name hb1 ) 2.5 0.7 0.2
assign (resid 124 and name hn ) (resid 123 and name ha ) 3.6 1.8 1.7
assign (resid 124 and name hn ) (resid 124 and name hd2# ) 5.1 3.3 0.2
assign (resid 124 and name hn ) (resid 124 and name hd1# ) 5.1 3.3 0.2 
assign (resid 124 and name hn ) (resid 124 and name hg ) 3.9 2.1 1.4
assign (resid 124 and name hn ) (resid 121 and name ha ) 5.2 3.4 0.1
assign (resid 124 and name hn ) (resid 125 and name hn ) 3.5 1.7 1.8 
assign (resid 124 and name hn ) (resid 123 and name hn ) 3.3 1.5 0.2
assign (resid 124 and name ha ) (resid 124 and name hb1 ) 3.0 1.2 0.5 
assign (resid 124 and name ha ) (resid 127 and name hb2 ) 2.7 0.9 0.8        
assign (resid 124 and name ha ) (resid 124 and name hd1# ) 4.1 2.3 1.2
assign (resid 124 and name ha ) (resid 124 and name hd2# ) 4.1 2.3 1.2
!Leu 125
assign (resid 125 and name hn ) (resid 125 and name ha ) 3.0 1.2 0.5    
assign (resid 125 and name hn ) (resid 125 and name hb2 ) 2.6 0.8 0.9 
assign (resid 125 and name hn ) (resid 125 and name hg ) 2.4 0.6 0.3
assign (resid 125 and name hn ) (resid 125 and name hb1 ) 3.5 1.7 1.8 
assign (resid 125 and name hn ) (resid 122 and name ha ) 3.4 1.6 0.1 
assign (resid 125 and name hn ) (resid 126 and name hn ) 3.0 1.2 0.5
assign (resid 125 and name hn ) (resid 124 and name ha ) 3.6 1.8 1.7
assign (resid 125 and name hn ) (resid 124 and name hb1 ) 2.4 0.6 0.3
assign (resid 125 and name hn ) (resid 111 and name hg2# ) 6.0 4.2 0.5 
assign (resid 125 and name ha ) (resid 125 and name hd2# ) 4.3 2.5 1.0 
assign (resid 125 and name ha ) (resid 125 and name hd1# ) 4.7 2.9 1.6 
assign (resid 125 and name ha ) (resid 125 and name hg ) 3.5 1.7 1.8       
!Arg 126
assign (resid 126 and name hn ) (resid 126 and name hb1 ) 3.6 1.8 1.7  
assign (resid 126 and name hn ) (resid 125 and name ha ) 3.0 1.2 0.5
assign (resid 126 and name hn ) (resid 127 and name hn ) 3.0 1.2 0.5
assign (resid 126 and name hn ) (resid 124 and name hn ) 4.5 2.7 0.8
assign (resid 126 and name hn ) (resid 126 and name ha ) 2.9 1.1 0.6
assign (resid 126 and name hn ) (resid 125 and name hg ) 4.0 2.2 1.3       
assign (resid 126 and name hn ) (resid 111 and name hg2# ) 5.6 3.8 0.9 
assign (resid 126 and name hn ) (resid 124 and name hb1 ) 5.8 4.0 0.7
assign (resid 126 and name hn ) (resid 125 and name hb2 ) 2.9 1.1 0.6 
assign (resid 126 and name hn ) (resid 125 and name hb1 ) 4.5 2.7 0.8 
assign (resid 126 and name hn ) (resid 126 and name hb2 ) 2.7 0.9 0.8 
assign (resid 126 and name hn ) (resid 122 and name ha ) 4.2 2.4 1.1  
assign (resid 126 and name hn ) (resid 124 and name ha ) 4.0 2.2 1.3       
assign (resid 126 and name hn ) (resid 125 and name hd1# ) 5.4 3.6 1.1 
assign (resid 126 and name hn ) (resid 123 and name hb2 ) 5.5 3.7 1.0 
assign (resid 126 and name ha ) (resid 126 and name hb2 ) 2.8 1.0 0.7   
assign (resid 126 and name ha ) (resid 129 and name hb2 ) 4.0 2.2 1.3
!Lys 127
assign (resid 127 and name hn ) (resid 128 and name hn ) 2.7 0.9 0.8  
assign (resid 127 and name hn ) (resid 125 and name hn ) 4.5 2.7 0.8  
assign (resid 127 and name hn ) (resid 127 and name ha ) 2.7 0.9 0.8 
assign (resid 127 and name hn ) (resid 127 and name hb1 ) 4.5 2.7 0.8 
assign (resid 127 and name hn ) (resid 127 and name hb2 ) 2.4 0.6 0.3 
assign (resid 127 and name hn ) (resid 129 and name hb2 ) 5.8 4.0 0.7 
assign (resid 127 and name hn ) (resid 127 and name hd# ) 4.7 2.9 0.6 
assign (resid 127 and name hn ) (resid 126 and name hb1 ) 4.0 2.2 1.3 
assign (resid 127 and name hn ) (resid 129 and name hn ) 3.5 1.7 1.8
!!assign (resid 127 and name hn ) (cross peak at 0.92 ppm )  
assign (resid 127 and name hn ) (resid 126 and name ha ) 3.6 1.8 1.7 
assign (resid 127 and name hn ) (resid 124 and name ha ) 4.0 2.2 1.3         
assign (resid 127 and name hn ) (resid 124 and name hg ) 5.5 3.7 1.0       
assign (resid 127 and name ha ) (resid 127 and name hb2 ) 2.9 1.1 0.6     
assign (resid 127 and name ha ) (resid 127 and name hg1 ) 3.8 2.0 1.5      
assign (resid 127 and name ha ) (resid 130 and name hb# ) 4.3 2.5 1.0
!Ser 128
assign (resid 128 and name hn ) (resid 127 and name hb2 ) 2.7 0.9 0.8 
assign (resid 128 and name hn ) (resid 127 and name hb1 ) 3.5 1.7 1.8 
assign (resid 128 and name hn ) (resid 127 and name ha ) 3.6 1.8 1.7
assign (resid 128 and name hn ) (resid 128 and name hb2 ) 2.8 1.0 0.7
assign (resid 128 and name hn ) (resid 104 and name hg1# ) 5.5 3.7 1.0
assign (resid 128 and name hn ) (resid 128 and name ha ) 3.1 1.3 0.4
assign (resid 128 and name hn ) (resid 127 and name hg2 ) 5.1 3.3 0.2 
assign (resid 128 and name hn ) (resid 125 and name hd2# ) 5.4 3.6 1.1 
assign (resid 128 and name hn ) (resid 124 and name hd2# ) 5.8 4.0 0.7 
assign (resid 128 and name hn ) (resid 127 and name hg1 ) 4.3 2.5 1.0 
assign (resid 128 and name hn ) (resid 125 and name ha ) 3.0 1.2 0.5 
assign (resid 128 and name hn ) (resid 129 and name hn ) 2.9 1.1 0.6
assign (resid 128 and name hn ) (resid 126 and name hn ) 4.5 2.7 0.8
assign (resid 128 and name hn ) (resid 130 and name hn ) 4.5 2.7 0.8         
assign (resid 128 and name ha ) (resid 128 and name hb2 ) 3.5 1.7 1.8 
assign (resid 128 and name ha ) (resid 131 and name hb2 ) 4.0 2.2 1.3  
!Glu 129
assign (resid 129 and name hn ) (resid 129 and name hb2 ) 2.7 0.9 0.8
assign (resid 129 and name hn ) (resid 129 and name hb1 ) 3.0 1.2 0.5 
assign (resid 129 and name hn ) (resid 131 and name hn ) 4.5 2.7 0.8   
assign (resid 129 and name hn ) (resid 130 and name hn ) 3.0 1.2 0.5 
assign (resid 129 and name hn ) (resid 129 and name ha ) 3.4 1.6 0.1  
assign (resid 129 and name hn ) (resid 128 and name ha ) 3.5 1.7 1.8  
assign (resid 129 and name hn ) (resid 130 and name hb# ) 5.4 3.6 1.1
assign (resid 129 and name hn ) (resid 125 and name ha ) 3.5 1.7 1.8   
assign (resid 129 and name hn ) (resid 111 and name hg2# ) 4.9 3.1 0.4  
assign (resid 129 and name hn ) (resid 104 and name hg1# ) 4.5 2.7 0.8 
assign (resid 129 and name hn ) (resid 126 and name ha ) 4.0 2.2 1.3              
assign (resid 129 and name ha ) (resid 129 and name hb2 ) 2.4 0.6 0.3  
assign (resid 129 and name ha ) (resid 129 and name hb1 ) 2.8 1.0 0.7  
assign (resid 129 and name ha ) (resid 132 and name hb# ) 3.9 2.1 1.4  
!Ala 130
assign (resid 130 and name hn ) (resid 132 and name hn ) 4.5 2.7 0.8          
assign (resid 130 and name hn ) (resid 130 and name ha ) 2.8 1.0 0.7
assign (resid 130 and name hn ) (resid 130 and name hb# ) 3.6 1.8 1.7
assign (resid 130 and name hn ) (resid 127 and name ha ) 3.5 1.7 1.8
assign (resid 130 and name hn ) (resid 128 and name ha ) 4.0 2.2 1.3
assign (resid 130 and name hn ) (resid 129 and name hb2 ) 3.8 2.0 1.5  
assign (resid 130 and name hn ) (resid 129 and name hb1 ) 3.1 1.3 0.4 
assign (resid 130 and name hn ) (resid 127 and name hb2 ) 5.5 3.7 1.0 
assign (resid 130 and name hn ) (resid 126 and name ha ) 3.8 2.0 1.5
assign (resid 130 and name hn ) (resid 104 and name hg1# ) 5.5 3.7 1.0 
assign (resid 130 and name ha ) (resid 130 and name hb# ) 4.0 2.2 1.3
assign (resid 130 and name ha ) (resid 133 and name hb2 ) 3.3 1.5 0.2 
!Gln 131
assign (resid 131 and name hn ) (resid 131 and name hb2 ) 2.7 0.9 0.8 
assign (resid 131 and name hn ) (resid 131 and name ha ) 2.8 1.0 0.7  
assign (resid 131 and name hn ) (resid 130 and name ha ) 3.5 1.7 1.8
assign (resid 131 and name hn ) (resid 128 and name ha ) 3.5 1.7 1.8
assign (resid 131 and name hn ) (resid 130 and name hb# ) 4.1 2.3 1.2
assign (resid 131 and name hn ) (resid 131 and name hg# ) 4.0 2.2 1.3 
assign (resid 131 and name hn ) (resid 131 and name hb1 ) 3.0 1.2 0.5 
assign (resid 131 and name hn ) (resid 127 and name ha ) 3.7 1.9 1.6  
assign (resid 131 and name hn ) (resid 133 and name hn ) 3.9 2.1 1.4 
assign (resid 131 and name hn ) (resid 132 and name hn ) 2.7 0.9 0.8 
assign (resid 131 and name hn ) (resid 130 and name hn ) 2.7 0.9 0.8
assign (resid 131 and name ha ) (resid 131 and name hb1 ) 3.5 1.7 1.8
assign (resid 131 and name ha ) (resid 131 and name hb2 ) 3.2 1.4 0.3
assign (resid 131 and name ha ) (resid 134 and name hb1 ) 2.2 0.4 0.5
!Ala 132
assign (resid 132 and name hn ) (resid 137 and name hd1# ) 5.5 3.7 0.8 
assign (resid 132 and name hn ) (resid 132 and name hb# ) 3.8 2.0 1.5
assign (resid 132 and name hn ) (resid 132 and name ha ) 2.9 1.1 0.6 
assign (resid 132 and name hn ) (resid 133 and name ha ) 5.3 3.5 1.2
assign (resid 132 and name hn ) (resid 128 and name ha ) 4.6 2.8 0.7 
assign (resid 132 and name hn ) (resid 128 and name hb2 ) 5.4 3.6 1.1         
assign (resid 132 and name hn ) (resid 131 and name hg# ) 4.0 2.2 1.3
assign (resid 132 and name hn ) (resid 131 and name hb2 ) 3.6 1.8 1.7 
assign (resid 132 and name hn ) (resid 131 and name hb1 ) 3.0 1.2 0.5  
assign (resid 132 and name hn ) (resid 130 and name hb# ) 5.5 3.7 1.0
assign (resid 132 and name hn ) (resid 105 and name ha ) 4.8 3.0 0.5
assign (resid 132 and name ha ) (resid 132 and name hb# ) 3.9 2.1 1.4  
!Lys 133
assign (resid 133 and name hn ) (resid 132 and name hn ) 2.5 0.7 0.2
assign (resid 133 and name hn ) (resid 134 and name hn ) 2.5 0.7 0.2 
assign (resid 133 and name hn ) (resid 133 and name ha ) 2.7 0.9 0.8 
assign (resid 133 and name hn ) (resid 132 and name hb# ) 3.9 2.1 1.4
assign (resid 133 and name hn ) (resid 133 and name hb2 ) 2.7 0.9 0.8 
assign (resid 133 and name hn ) (resid 133 and name hb1 ) 3.6 1.8 1.7 
assign (resid 133 and name hn ) (resid 133 and name hd# ) 5.5 3.7 1.0 
assign (resid 133 and name hn ) (resid 133 and name hg# ) 3.9 2.1 1.4     
assign (resid 133 and name hn ) (resid 130 and name ha ) 3.5 1.7 1.8  
assign (resid 133 and name hn ) (resid 132 and name ha ) 3.6 1.8 1.7   
assign (resid 133 and name hn ) (resid 130 and name hb# ) 5.5 3.7 1.0
assign (resid 133 and name hn ) (resid 140 and name hb2 ) 5.5 3.7 1.0 
assign (resid 133 and name ha ) (resid 133 and name hg# ) 3.3 1.5 0.2
assign (resid 133 and name ha ) (resid 133 and name hd# ) 4.5 2.7 0.8 
assign (resid 133 and name ha ) (resid 133 and name hb2 ) 2.8 1.0 0.7 
assign (resid 133 and name ha ) (resid 133 and name hb1 ) 2.8 1.0 0.7 
assign (resid 133 and name hg# ) (resid 133 and name hd# ) 2.7 0.9 0.8
assign (resid 133 and name hg# ) (resid 133 and name hb# ) 2.8 1.0 0.7
!Lys 134
assign (resid 134 and name hn ) (resid 135 and name hn ) 2.9 1.1 0.6    
assign (resid 134 and name hn ) (resid 136 and name hn ) 4.5 2.7 0.8           
assign (resid 134 and name hn ) (resid 133 and name hb2 ) 3.0 1.2 0.5 
assign (resid 134 and name hn ) (resid 134 and name hb1 ) 2.5 0.7 0.2 
assign (resid 134 and name hn ) (resid 133 and name ha ) 3.7 1.9 1.6
assign (resid 134 and name hn ) (resid 134 and name ha ) 2.9 1.1 0.6
assign (resid 134 and name hn ) (resid 130 and name ha ) 3.5 1.7 1.8
assign (resid 134 and name hn ) (resid 133 and name hg# ) 5.0 3.2 0.3       
assign (resid 134 and name hn ) (resid 131 and name hn ) 5.0 3.2 0.3  
assign (resid 134 and name hn ) (resid 133 and name hb1 ) 3.9 2.1 1.4 
assign (resid 134 and name hn ) (resid 132 and name hb# ) 5.5 3.7 1.0       
assign (resid 134 and name ha ) (resid 134 and name hb1 ) 2.7 0.9 0.8 
!Glu 135
assign (resid 135 and name hn ) (resid 135 and name hb2 ) 2.7 0.9 0.8    
assign (resid 135 and name hn ) (resid 135 and name hb1 ) 3.6 1.8 1.7 
assign (resid 135 and name hn ) (resid 135 and name hg2 ) 3.5 1.7 1.8 
assign (resid 135 and name hn ) (resid 135 and name hg1 ) 2.8 1.0 0.7 
assign (resid 135 and name hn ) (resid 137 and name hg ) 4.0 2.2 1.3
assign (resid 135 and name hn ) (resid 134 and name ha ) 2.7 0.9 0.8 
assign (resid 135 and name hn ) (resid 135 and name ha ) 2.8 1.0 0.7  
assign (resid 135 and name hn ) (resid 134 and name hb1 ) 2.6 0.8 0.9
assign (resid 135 and name hn ) (resid 136 and name hn ) 2.4 0.6 0.3 
assign (resid 135 and name hn ) (resid 137 and name hn ) 4.5 2.7 0.8             
assign (resid 135 and name hn ) (resid 137 and name hb1 ) 5.5 3.7 1.0              
assign (resid 135 and name hn ) (resid 132 and name ha ) 3.6 1.8 1.7           
assign (resid 135 and name hn ) (resid 136 and name ha ) 4.1 2.3 1.2          
assign (resid 135 and name hn ) (resid 133 and name hn ) 3.6 1.8 1.7
assign (resid 135 and name ha ) (resid 135 and name hb2 ) 3.1 1.3 0.4 
assign (resid 135 and name ha ) (resid 135 and name hb1 ) 2.5 0.7 0.2 
!Lys 136
assign (resid 136 and name hn ) (resid 137 and name hn ) 2.3 0.5 0.4 
assign (resid 136 and name hn ) (resid 136 and name hg# ) 2.7 0.9 0.8
assign (resid 136 and name hn ) (resid 135 and name ha ) 3.0 1.2 0.5
assign (resid 136 and name hn ) (resid 134 and name ha ) 3.7 1.8 1.6 
assign (resid 136 and name hn ) (resid 133 and name ha ) 3.5 1.7 1.8 
assign (resid 136 and name hn ) (resid 136 and name hb1 ) 4.1 2.3 1.2   
assign (resid 136 and name hn ) (resid 136 and name hb2 ) 3.7 1.9 1.6   
assign (resid 136 and name hn ) (resid 136 and name ha ) 2.4 0.6 0.3    
assign (resid 136 and name hn ) (resid 132 and name ha ) 4.1 2.3 1.2
assign (resid 136 and name hn ) (resid 140 and name hb1 ) 3.3 1.5 0.2 
assign (resid 136 and name hn ) (resid 140 and name hb2 ) 3.5 1.7 1.8 
assign (resid 136 and name hn ) (resid 135 and name hb2 ) 3.1 1.3 0.4 
assign (resid 136 and name ha ) (resid 136 and name hb1 ) 2.6 0.8 0.1 
assign (resid 136 and name ha ) (resid 136 and name hb2 ) 4.0 2.2 1.3 
!Leu 137
assign (resid 137 and name hn ) (resid 137 and name hb1 ) 3.5 1.7 1.8 
assign (resid 137 and name hn ) (resid 137 and name hb2 ) 2.6 0.8 0.9 
assign (resid 137 and name hn ) (resid 137 and name hg ) 2.6 0.8 0.9
assign (resid 137 and name hn ) (resid 137 and name hd2# ) 4.6 2.8 0.7
assign (resid 137 and name hn ) (resid 136 and name ha ) 2.8 1.0 0.7
assign (resid 137 and name hn ) (resid 137 and name ha ) 2.9 1.1 0.6
assign (resid 137 and name hn ) (resid 132 and name ha ) 4.7 2.9 0.6 
assign (resid 137 and name hn ) (resid 137 and name hd1# ) 5.0 3.2 0.3 
assign (resid 137 and name hn ) (resid 140 and name hb1 ) 3.7 1.9 1.6 
assign (resid 137 and name hn ) (resid 140 and name hd1 ) 3.7 1.9 1.6
assign (resid 137 and name hn ) (resid 141 and name hn ) 3.8 2.0 1.5   
assign (resid 137 and name hn ) (resid 140 and name hn ) 4.0 2.2 1.3 
assign (resid 137 and name hn ) (resid 135 and name hb1 ) 4.1 2.3 1.2 
assign (resid 137 and name hn ) (resid 140 and name hb2 ) 3.4 1.6 0.1 
assign (resid 137 and name hn ) (resid 136 and name hb2 ) 4.5 2.7 0.8 
assign (resid 137 and name hn ) (resid 133 and name ha ) 3.9 2.1 1.4  
assign (resid 137 and name ha ) (resid 137 and name hg ) 3.1 1.3 0.4
assign (resid 137 and name ha ) (resid 137 and name hb1 ) 2.5 0.7 0.2 
assign (resid 137 and name ha ) (resid 137 and name hb2 ) 3.2 1.4 0.3 
assign (resid 137 and name ha ) (resid 137 and name hd2# ) 4.0 2.2 1.3
assign (resid 137 and name ha ) (resid 137 and name hd1# ) 4.6 2.8 0.7 
!Asn 138
assign (resid 138 and name hn ) (resid 137 and name ha ) 2.5 0.7 0.2  
assign (resid 138 and name hn ) (resid 137 and name hn ) 3.5 1.7 1.8
assign (resid 138 and name hn ) (resid 137 and name hg ) 4.7 2.9 0.6
assign (resid 138 and name hn ) (resid 138 and name ha ) 2.7 0.9 0.8
assign (resid 138 and name hn ) (resid 138 and name hb2 ) 3.7 1.9 1.6        
assign (resid 138 and name hn ) (resid 137 and name hb1 ) 3.4 1.6 0.1 
assign (resid 138 and name hn ) (resid 137 and name hb2 ) 4.5 2.7 0.8  
assign (resid 138 and name hn ) (resid 137 and name hd1# ) 5.5 3.7 1.0 
assign (resid 138 and name hn ) (resid 137 and name hd2# ) 4.5 2.7 0.8 
assign (resid 138 and name ha ) (resid 138 and name hb2 ) 2.7 0.9 0.8       
assign (resid 138 and name ha ) (resid 108 and name hd2# ) 5.7 3.9 0.8       
assign (resid 138 and name hd22 ) (resid 106 and name hb1 ) 4.3 2.5 1.0 
assign (resid 138 and name hd22 ) (resid 138 and name hb2 ) 3.5 1.7 1.8  
assign (resid 138 and name hd22 ) (resid 108 and name hg ) 3.5 1.7 1.8
assign (resid 138 and name hd22 ) (resid 137 and name hb1 ) 4.2 2.4 1.1 
assign (resid 138 and name hd22 ) (resid 108 and name hd1# ) 5.3 3.5 1.2   
assign (resid 138 and name hd22 ) (resid 108 and name hd2# ) 4.9 3.1 0.4
assign (resid 138 and name hd22 ) (resid 137 and name hd1# ) 5.8 4.0 0.7  
assign (resid 138 and name hd21 ) (resid 106 and name hb1 ) 3.9 2.1 1.4 
assign (resid 138 and name hd21 ) (resid 138 and name hb2 ) 3.2 1.4 0.3 
assign (resid 138 and name hd21 ) (resid 108 and name hg ) 3.5 1.7 1.8    
assign (resid 138 and name hd21 ) (resid 108 and name hd1# ) 5.3 3.5 1.2 
assign (resid 138 and name hd21 ) (resid 137  and name hb1 ) 3.5 1.7 1.8  
assign (resid 138 and name hd21 ) (resid 108 and name hd2# ) 5.1 3.3 0.2 
!Ile 139
assign (resid 139 and name hn ) (resid 139 and name ha ) 3.0 1.2 0.5
assign (resid 139 and name hn ) (resid 139 and name hb ) 2.8 1.0 0.7
assign (resid 139 and name hn ) (resid 139 and name hg1# ) 2.8 1.0 0.7
assign (resid 139 and name hn ) (resid 139 and name hg2# ) 4.8 3.0 0.5
assign (resid 139 and name hn ) (resid 139 and name hd1# ) 4.5 2.7 0.8
assign (resid 139 and name hn ) (resid 138 and name hb2 ) 2.8 1.0 0.7 
assign (resid 139 and name hn ) (resid 138 and name hb1 ) 2.7 0.9 0.8  
assign (resid 139 and name hn ) (resid 138 and name ha ) 3.7 1.9 1.6 
assign (resid 139 and name hn ) (resid 108 and name hd2# ) 5.1 3.3 0.2   
assign (resid 139 and name ha ) (resid 139 and name hd1# ) 6.0 4.2 0.5  
assign (resid 139 and name ha ) (resid 139 and name hg2# ) 4.8 3.0 0.5
assign (resid 139 and name ha ) (resid 139 and name hg1# ) 2.7 0.9 0.8
assign (resid 139 and name ha ) (resid 139 and name hb ) 2.9 1.1 0.6   
assign (resid 139 and name hd1# ) (resid 139 and name hb ) 3.4 1.6 0.1
assign (resid 139 and name hd1# ) (resid 139 and name hg1# ) 3.0 1.2 0.5
assign (resid 139 and name hd1# ) (resid 139 and name hg2# ) 4.8 3.0 0.5
assign (resid 139 and name hg2# ) (resid 139 and name hb ) 3.4 1.6 0.1
!Trp 140
assign (resid 140 and name hn ) (resid 139 and name hg2# ) 5.2 3.4 0.1 
assign (resid 140 and name hn ) (resid 139 and name hb ) 3.3 1.5 0.2 
assign (resid 140 and name hn ) (resid 140 and name hb1 ) 3.6 1.8 1.7
assign (resid 140 and name hn ) (resid 140 and name hb2 ) 3.0 1.2 0.5  
assign (resid 140 and name hn ) (resid 140 and name he3 ) 3.7 1.9 1.6 
assign (resid 140 and name hn ) (resid 139 and name hg1# ) 3.5 1.7 1.8
assign (resid 140 and name hn ) (resid 139 and name hd1# ) 6.0 4.2 0.5  
assign (resid 140 and name hn ) (resid 139 and name ha ) 3.9 2.1 1.4  
assign (resid 140 and name hn ) (resid 140 and name ha ) 3.1 1.3 0.4
assign (resid 140 and name hn ) (resid 140 and name hd1 ) 4.0 2.2 1.3   
assign (resid 140 and name hn ) (resid 141 and name ha ) 3.7 1.9 1.6   
assign (resid 140 and name hn ) (resid 139 and name hn ) 3.0 1.2 0.5
assign (resid 140 and name ha ) (resid 140 and name hb2 ) 3.1 1.3 0.4 
assign (resid 140 and name ha ) (resid 140 and name hb1 ) 2.9 1.1 0.6 
assign (resid 140 and name hd1 ) (resid 137 and name hb2 ) 3.5 1.7 1.8 
assign (resid 140 and name hd1 ) (resid 137 and name hn ) 3.3 1.5 0.2 
assign (resid 140 and name hd1 ) (resid 140 and name hn ) 2.8 1.0 0.7
assign (resid 140 and name hd1 ) (resid 132 and name hn ) 5.5 3.7 1.0 
assign (resid 140 and name hd1 ) (resid 133 and name hn ) 3.6 1.8 1.7
assign (resid 140 and name hd1 ) (resid 107 and name ha2 ) 2.9 1.1 0.6
assign (resid 140 and name hd1 ) (resid 137 and name hd1# ) 5.0 3.2 0.3 
assign (resid 140 and name hd1 ) (resid 107 and name ha1 ) 2.9 1.1 0.6
assign (resid 140 and name hd1 ) (resid 140 and name hb1 ) 3.8 2.0 1.5  
assign (resid 140 and name hd1 ) (resid 133 and name ha ) 3.4 1.6 0.1 
assign (resid 140 and name hd1 ) (resid 132 and name ha ) 4.5 2.7 0.8
assign (resid 140 and name hd1 ) (resid 132 and name hb# ) 4.3 2.5 1.0    
assign (resid 140 and name hd1 ) (resid 140 and name hb2 ) 2.9 1.1 0.6  
assign (resid 140 and name he3 ) (resid 140 and name ha ) 2.7 0.9 0.8   
assign (resid 140 and name he3 ) (resid 133 and name hd# ) 3.5 1.7 1.8   
assign (resid 140 and name he3 ) (resid 133 and name ha ) 4.0 2.2 1.3   
assign (resid 140 and name he3 ) (resid 140 and name hz3 ) 2.5 0.7 0.2  
assign (resid 140 and name he3 ) (resid 140 and name hb1 ) 3.0 1.2 0.5 
assign (resid 140 and name he3 ) (resid 139 and name hg2# ) 5.8 4.0 0.7
assign (resid 140 and name hz2 ) (resid 129 and name ha ) 4.4 2.6 0.9  
assign (resid 140 and name hz2 ) (resid 110 and name hg2 ) 3.5 1.7 1.8  
assign (resid 140 and name hz2 ) (resid 110 and name hb# ) 5.0 3.2 0.3
assign (resid 140 and name hz2 ) (resid 133 and name hd# ) 4.7 2.9 0.6  
assign (resid 140 and name hz2 ) (resid 110 and name ha ) 3.6 1.8 1.7 
assign (resid 140 and name hh2 ) (resid 140 and name hz2 ) 2.8 1.0 0.7 
assign (resid 140 and name hh2 ) (resid 110 and name hb# ) 5.4 3.6 1.1 
!Ser 141
assign (resid 141 and name hn ) (resid 140 and name hn ) 2.4 0.6 0.3  
assign (resid 141 and name hn ) (resid 141 and name ha ) 2.9 1.1 0.6  
assign (resid 141 and name hn ) (resid 139 and name ha ) 4.5 2.7 0.8 
assign (resid 141 and name hn ) (resid 140 and name ha ) 5.0 3.2 0.3   
assign (resid 141 and name hn ) (resid 140 and name hb2 ) 3.8 2.0 1.5 
assign (resid 141 and name hn ) (resid 139 and name hb ) 5.5 3.7 1.0 
assign (resid 141 and name hn ) (resid 139 and name hn ) 5.5 3.7 1.0 
assign (resid 141 and name hn ) (resid 141 and name hb1 ) 2.6 0.8 0.1
!Glu 142
assign (resid 142 and name hn ) (resid 142 and name hb2 ) 2.8 1.0 0.7        
assign (resid 142 and name hn ) (resid 142 and name hb1 ) 3.5 1.7 1.8     
assign (resid 142 and name hn ) (resid 142 and name hg# ) 3.1 1.3 0.4 
assign (resid 142 and name hn ) (resid 141 and name hb# ) 3.6 1.8 1.7        
assign (resid 142 and name hn ) (resid 141 and name ha ) 3.4 1.6 0.1         
assign (resid 142 and name hn ) (resid 142 and name ha ) 3.8 2.0 1.5         
assign (resid 142 and name hn ) (resid 143 and name ha ) 5.0 3.2 0.3
assign (resid 142 and name hn ) (resid 141 and name hn ) 2.9 1.1 0.6
assign (resid 142 and name ha ) (resid 142 and name hb1 ) 3.0 1.2 0.5     
!Asp 143
assign (resid 143 and name hn ) (resid 143 and name ha ) 3.8 2.0 1.5         
assign (resid 143 and name hn ) (resid 142 and name hb2 ) 3.4 1.6 0.1      
assign (resid 143 and name hn ) (resid 142 and name hn ) 3.2 1.4 0.3
assign (resid 143 and name hn ) (resid 143 and name hb2 ) 2.9 1.1 0.6        
assign (resid 143 and name hn ) (resid 143 and name hb1 ) 3.1 1.3 0.4         
assign (resid 143 and name hn ) (resid 142 and name hb1 ) 3.6 1.8 1.7      
assign (resid 143 and name hn ) (resid 142 and name ha ) 3.0 1.2 0.5          
assign (resid 143 and name hn ) (resid 141 and name ha ) 3.5 1.7 1.8         
!hydrogen bonding of h124lus
assign (resid 72 and name o ) (resid 12 and name hn ) 1.9 0.4 0.4
assign (resid 13 and name o ) (resid 26 and name hn ) 1.9 0.4 0.4
assign (resid 26 and name o ) (resid 13 and name hn ) 1.9 0.4 0.4
assign (resid 34 and name o ) (resid 23 and name hn ) 1.9 0.4 0.4 
assign (resid 32 and name o ) (resid 25 and name hn ) 1.9 0.4 0.4 
assign (resid 30 and name o ) (resid 27 and name hn ) 1.9 0.4 0.4
assign (resid 27 and name o ) (resid 30 and name hn ) 1.9 0.4 0.4 
assign (resid 25 and name o ) (resid 32 and name hn ) 1.9 0.4 0.4 
assign (resid 23 and name o ) (resid 34 and name hn ) 1.9 0.4 0.4 
assign (resid 88 and name o ) (resid 35 and name hn ) 1.9 0.4 0.4           
assign (resid 38 and name o ) (resid 112 and name hn ) 1.9 0.4 0.4
assign (resid 110 and name o ) (resid 40 and name hn ) 1.9 0.4 0.4
assign (resid 40 and name o ) (resid 110 and name hn ) 1.9 0.4 0.4 
assign (resid 16 and name o ) (resid 24 and name hn ) 1.9 0.4 0.4 
assign (resid 24 and name o ) (resid 16 and name hn ) 1.9 0.4 0.4 
assign (resid 81 and name o ) (resid 89 and name hn ) 1.9 0.4 0.4          
assign (resid 87 and name o ) (resid 83 and name hn ) 1.9 0.4 0.4           
assign (resid 74 and name o ) (resid 10 and name hn ) 1.9 0.4 0.4
assign (resid 10 and name o ) (resid 74 and name hn ) 1.9 0.4 0.4
assign (resid 73 and name o ) (resid 93 and name hn ) 1.9 0.4 0.4
assign (resid 93 and name o ) (resid 73 and name hn ) 1.9 0.4 0.4
assign (resid 91 and name o ) (resid 75 and name hn ) 1.9 0.4 0.4
assign (resid 75 and name o ) (resid 91 and name hn ) 1.9 0.4 0.4
assign (resid 97 and name o ) (resid 94 and name hn ) 1.9 0.4 0.4
assign (resid 94 and name o ) (resid 97 and name hn ) 1.9 0.4 0.4
assign (resid 92 and name o ) (resid 99 and name hn ) 1.9 0.4 0.4
assign (resid 57 and name o ) (resid 61 and name hn ) 1.9 0.4 0.4
assign (resid 58 and name o ) (resid 62 and name hn ) 1.9 0.4 0.4
assign (resid 59 and name o ) (resid 63 and name hn ) 1.9 0.4 0.4
assign (resid 60 and name o ) (resid 64 and name hn ) 1.9 0.4 0.4
assign (resid 61 and name o ) (resid 65 and name hn ) 1.9 0.4 0.4
assign (resid 62 and name o ) (resid 66 and name hn ) 1.9 0.4 0.4
assign (resid 63 and name o ) (resid 67 and name hn ) 1.9 0.4 0.4
assign (resid 64 and name o ) (resid 68 and name hn ) 1.9 0.4 0.4
assign (resid 65 and name o ) (resid 69 and name hn ) 1.9 0.4 0.4
assign (resid 98 and name o ) (resid 102 and name hn ) 1.9 0.4 0.4
assign (resid 99 and name o ) (resid 103 and name hn ) 1.9 0.4 0.4
assign (resid 100 and name o ) (resid 104 and name hn ) 1.9 0.4 0.4
assign (resid 101 and name o ) (resid 105 and name hn ) 1.9 0.4 0.4
assign (resid 102 and name o ) (resid 106 and name hn ) 1.9 0.4 0.4
assign (resid 122 and name o ) (resid 126 and name hn ) 1.9 0.4 0.4
assign (resid 124 and name o ) (resid 128 and name hn ) 1.9 0.4 0.4
assign (resid 123 and name o ) (resid 127 and name hn ) 1.9 0.4 0.4
assign (resid 130 and name o ) (resid 134 and name hn ) 1.9 0.4 0.4
assign (resid 131 and name o ) (resid 135 and name hn ) 1.9 0.4 0.4
assign (resid 132 and name o ) (resid 136 and name hn ) 1.9 0.4 0.4
assign (resid 125 and name o ) (resid 129 and name hn ) 1.9 0.4 0.4
assign (resid 126 and name o ) (resid 130 and name hn ) 1.9 0.4 0.4
assign (resid 127 and name o ) (resid 131 and name hn ) 1.9 0.4 0.4
assign (resid 128 and name o ) (resid 132 and name hn ) 1.9 0.4 0.4
assign (resid 129 and name o ) (resid 133 and name hn ) 1.9 0.4 0.4
assign (resid 33 and name o ) (resid 88 and name hn ) 1.9 0.4 0.4         
assign (resid 22 and name o ) (resid 18 and name hn ) 1.9 0.4 0.4         
assign (resid 21 and name o ) (resid 36 and name hn ) 1.9 0.4 0.4          
assign (resid 22 and name o ) (resid 19 and name hn ) 1.9 0.4 0.4          
assign (resid 90 and name o ) (resid 37 and name hn ) 1.9 0.4 0.4         
assign (resid 72 and name o ) (resid 12 and name n ) 2.9 0.5 0.4
assign (resid 13 and name o ) (resid 26 and name n ) 2.9 0.5 0.4
assign (resid 26 and name o ) (resid 13 and name n ) 2.9 0.5 0.4
assign (resid 34 and name o ) (resid 23 and name n ) 2.9 0.5 0.4
assign (resid 32 and name o ) (resid 25 and name n ) 2.9 0.5 0.4
assign (resid 30 and name o ) (resid 27 and name n ) 2.9 0.5 0.4
assign (resid 27 and name o ) (resid 30 and name n ) 2.9 0.5 0.4
assign (resid 25 and name o ) (resid 32 and name n ) 2.9 0.5 0.4
assign (resid 23 and name o ) (resid 34 and name n ) 2.9 0.5 0.4
assign (resid 88 and name o ) (resid 35 and name n ) 2.9 0.5 0.4       
assign (resid 38 and name o ) (resid 112 and name n ) 2.9 0.5 0.4 
assign (resid 110 and name o ) (resid 40 and name n ) 2.9 0.5 0.4
assign (resid 40 and name o ) (resid 110 and name n ) 2.9 0.5 0.4 
assign (resid 16 and name o ) (resid 24 and name n ) 2.9 0.5 0.4
assign (resid 24 and name o ) (resid 16 and name n ) 2.9 0.5 0.4
assign (resid 81 and name o ) (resid 89 and name n ) 2.9 0.5 0.4       
assign (resid 87 and name o ) (resid 83 and name n ) 2.9 0.5 0.4       
assign (resid 74 and name o ) (resid 10 and name n ) 2.9 0.5 0.4
assign (resid 10 and name o ) (resid 74 and name n ) 2.9 0.5 0.4
assign (resid 73 and name o ) (resid 93 and name n ) 2.9 0.5 0.4
assign (resid 93 and name o ) (resid 73 and name n ) 2.9 0.5 0.4
assign (resid 91 and name o ) (resid 75 and name n ) 2.9 0.5 0.4
assign (resid 75 and name o ) (resid 91 and name n ) 2.9 0.5 0.4
assign (resid 97 and name o ) (resid 94 and name n ) 2.9 0.5 0.4
assign (resid 94 and name o ) (resid 97 and name n ) 2.9 0.5 0.4
assign (resid 92 and name o ) (resid 99 and name n ) 2.9 0.5 0.4
assign (resid 57 and name o ) (resid 61 and name n ) 2.9 0.5 0.4
assign (resid 58 and name o ) (resid 62 and name n ) 2.9 0.5 0.4
assign (resid 59 and name o ) (resid 63 and name n ) 2.9 0.5 0.4
assign (resid 60 and name o ) (resid 64 and name n ) 2.9 0.5 0.4
assign (resid 61 and name o ) (resid 65 and name n ) 2.9 0.5 0.4
assign (resid 62 and name o ) (resid 66 and name n ) 2.9 0.5 0.4
assign (resid 63 and name o ) (resid 67 and name n ) 2.9 0.5 0.4
assign (resid 64 and name o ) (resid 68 and name n ) 2.9 0.5 0.4
assign (resid 65 and name o ) (resid 69 and name n ) 2.9 0.5 0.4
assign (resid 98 and name o ) (resid 102 and name n ) 2.9 0.5 0.4
assign (resid 99 and name o ) (resid 103 and name n ) 2.9 0.5 0.4
assign (resid 100 and name o ) (resid 104 and name n ) 2.9 0.5 0.4
assign (resid 101 and name o ) (resid 105 and name n ) 2.9 0.5 0.4
assign (resid 102 and name o ) (resid 106 and name n ) 2.9 0.5 0.4
assign (resid 122 and name o ) (resid 126 and name n ) 2.9 0.5 0.4
assign (resid 124 and name o ) (resid 128 and name n ) 2.9 0.5 0.4
assign (resid 123 and name o ) (resid 127 and name n ) 2.9 0.5 0.4
assign (resid 130 and name o ) (resid 134 and name n ) 2.9 0.5 0.4
assign (resid 131 and name o ) (resid 135 and name n ) 2.9 0.5 0.4
assign (resid 132 and name o ) (resid 136 and name n ) 2.9 0.5 0.4
assign (resid 125 and name o ) (resid 129 and name n ) 2.9 0.5 0.4
assign (resid 126 and name o ) (resid 130 and name n ) 2.9 0.5 0.4
assign (resid 127 and name o ) (resid 131 and name n ) 2.9 0.5 0.4
assign (resid 128 and name o ) (resid 132 and name n ) 2.9 0.5 0.4
assign (resid 129 and name o ) (resid 133 and name n ) 2.9 0.5 0.4
assign (resid 33 and name o ) (resid 88 and name n ) 2.9 0.5 0.4        
assign (resid 22 and name o ) (resid 18 and name n ) 2.9 0.5 0.4        
assign (resid 21 and name o ) (resid 36 and name n ) 2.9 0.5 0.4        
assign (resid 22 and name o ) (resid 19 and name n ) 2.9 0.5 0.4        
assign (resid 90 and name o ) (resid 37 and name n ) 2.9 0.5 0.4       
!124lus_dihe.tbl
!Phi restraints : minimum deviation = 30 degree
restraints dihedral
reset
!His8
assign (resid 7 and name c  ) (resid 8  and name n  )
       (resid 8 and name ca  ) (resid 8 and name c  ) 1.0 -135 35 2
!Lys9
assign (resid 8 and name c  ) (resid 9 and name n  )
       (resid 9 and name ca  ) (resid 9 and name c  ) 1.0 -105 45 2
!Glu10
assign (resid 9 and name c  ) (resid 10 and name n  )
       (resid 10 and name ca  ) (resid 10 and name c  ) 1.0 -120 35 2
!Ala12
assign (resid 11 and name c  ) (resid 12 and name n  )
       (resid 12 and name ca  ) (resid 12 and name c  ) 1.0 -140 35 2
!Thr13
assign (resid 12 and name c  ) (resid 13 and name n  )
       (resid 13 and name ca  ) (resid 13 and name c  ) 1.0 -120 30 2
!Leu14
assign (resid 13 and name c  ) (resid 14  and name n  )
       (resid 14 and name ca  ) (resid 14  and name c  ) 1.0 -60 30 2
!Ile15
assign (resid 14 and name c  ) (resid 15 and name n  )
       (resid 15 and name ca  ) (resid 15 and name c  ) 1.0 -105 30 2
!Lys16
assign (resid 15 and name c  ) (resid 16 and name n  )
       (resid 16 and name ca  ) (resid 16 and name c  ) 1.0 -140 45 2
!Ala17
assign (resid 16 and name c  ) (resid 17 and name n  )
       (resid 17 and name ca  ) (resid 17 and name c  ) 1.0 -90 40 2
!Ile18
assign (resid 17 and name c  ) (resid 18 and name n  )
       (resid 18 and name ca  ) (resid 18 and name c  ) 1.0 -90 40 2
!Asp19
assign (resid 18 and name c  ) (resid 19 and name n  )
       (resid 19 and name ca  ) (resid 19 and name c  ) 1.0 -140 35 2
!Gly20
assign (resid 19 and name c  ) (resid 20 and name n  ) 
       (resid 20 and name ca  ) (resid 20 and name c  ) 1.0 -60 30 2
!Asp21
assign (resid 20 and name c  ) (resid 21 and name n  )
       (resid 21 and name ca  ) (resid 21 and name c  ) 1.0 -120 35 2
!Thr22
assign (resid 21 and name c  ) (resid 22 and name n  )
       (resid 22 and name ca  ) (resid 22 and name c  ) 1.0 -120 40 2
!Val23
assign (resid 22 and name c  ) (resid 23 and name n  )
       (resid 23 and name ca  ) (resid 23 and name c  ) 1.0 -120 30 2
!Lys24
assign (resid 23 and name c  ) (resid 24 and name n  )
       (resid 24 and name ca  ) (resid 24 and name c  ) 1.0 -115 30 2
!Leu25
assign (resid 24 and name c  ) (resid 25 and name n  )
       (resid 25 and name ca  ) (resid 25 and name c  ) 1.0 -120 30 2
!Met26
assign (resid 25 and name c  ) (resid 26 and name n  )
       (resid 26 and name ca  ) (resid 26 and name c  ) 1.0 -95 40 2
!Tyr27
assign (resid 26 and name c  ) (resid 27 and name n  )
       (resid 27 and name ca  ) (resid 27 and name c  ) 1.0 -120 30 2
!Lys28
assign (resid 27 and name c  ) (resid 28 and name n  )
       (resid 28 and name ca  ) (resid 28 and name c  ) 1.0 60 30 2
!Gly29
assign (resid 28 and name c  ) (resid 29 and name n  )
       (resid 29 and name ca  ) (resid 29 and name c  ) 1.0 60 30 2
!Gln30
assign (resid 29 and name c  ) (resid 30 and name n  )
       (resid 30 and name ca  ) (resid 30 and name c  ) 1.0 -135 30 2
!Thr33
assign (resid 32 and name c  ) (resid 33 and name n  )
       (resid 33 and name ca  ) (resid 33 and name c  ) 1.0 -105 45 2
!Phe34
assign (resid 33 and name c  ) (resid 34 and name n  )
       (resid 34 and name ca  ) (resid 34 and name c  ) 1.0 -120 30 2
!Arg35
assign (resid 34 and name c  ) (resid 35 and name n  )
       (resid 35 and name ca  ) (resid 35 and name c  ) 1.0 -105 30 2
!Leu36
assign (resid 35 and name c  ) (resid 36 and name n  )
       (resid 36 and name ca  ) (resid 36 and name c  ) 1.0 -60 30 2
!Leu37
assign (resid 36 and name c  ) (resid 37 and name n  )
       (resid 37 and name ca  ) (resid 37 and name c  ) 1.0 -60 30 2
!Leu38
assign (resid 37 and name c  ) (resid 38 and name n  )
       (resid 38 and name ca  ) (resid 38 and name c  ) 1.0 60 30 2
!Val39
assign (resid 38 and name c  ) (resid 39 and name n  )
       (resid 39 and name ca  ) (resid 39 and name c  ) 1.0 -120 30 2
!Asp40
assign (resid 39 and name c  ) (resid 40 and name n  )
       (resid 40 and name ca  ) (resid 40 and name c  ) 1.0 -120 45 2
!Thr44
assign (resid 43 and name c  ) (resid 44 and name n  )
       (resid 44 and name ca  ) (resid 44 and name c  ) 1.0 -120 35 2
!His46
assign (resid 45 and name c  ) (resid 46 and name n  )
       (resid 46 and name ca  ) (resid 46 and name c  ) 1.0 -60 30 2
!Lys49
assign (resid 48 and name c  ) (resid 49 and name n  )
       (resid 49 and name ca  ) (resid 49 and name c  ) 1.0 -75 30 2
!Gly50
assign (resid 49 and name c  ) (resid 50 and name n  )
       (resid 50 and name ca  ) (resid 50 and name c  ) 1.0 60 30 2
!Val51
assign (resid 50 and name c  ) (resid 51 and name n  )
       (resid 51 and name ca  ) (resid 51 and name c  ) 1.0 -95 30 2
!Gly55
assign (resid 54 and name c  ) (resid 55 and name n  )
       (resid 55 and name ca  ) (resid 55 and name c  ) 1.0 -60 30 2
!Ala58
assign (resid 57 and name c  ) (resid 58 and name n  )
       (resid 58 and name ca  ) (resid 58 and name c  ) 1.0 -60 30 2
!Ser59
assign (resid 58  and name c  ) (resid 59  and name n  )
       (resid 59  and name ca  ) (resid 59  and name c  ) 1.0 -60 30 2
!Ala60
assign (resid 59 and name c  ) (resid 60 and name n  )
       (resid 60 and name ca  ) (resid 60 and name c  ) 1.0 -60 30 2
!Phe61
assign (resid 60  and name c  ) (resid 61  and name n  )
       (resid 61  and name ca  ) (resid 61  and name c  ) 1.0 -60 30 2
!The62
assign (resid 61  and name c  ) (resid 62  and name n  )
       (resid 62  and name ca  ) (resid 62  and name c  ) 1.0 -60 30 2
!Lys63
assign (resid 62  and name c  ) (resid 63  and name n  )
       (resid 63  and name ca  ) (resid 63  and name c  ) 1.0 -60 30 2
!Lys64
assign (resid 63  and name c  ) (resid 64  and name n  )
       (resid 64  and name ca  ) (resid 64  and name c  ) 1.0 -60 30 2
!Met65
assign (resid 64  and name c  ) (resid 65  and name n  )
       (resid 65  and name ca  ) (resid 65  and name c  ) 1.0 -60 30 2
!Val66
assign (resid 65 and name c  ) (resid 66 and name n  )
       (resid 66 and name ca  ) (resid 66 and name c  ) 1.0 -90 30 2
!Glu67
assign (resid 66  and name c  ) (resid 67  and name n  )
       (resid 67  and name ca  ) (resid 67  and name c  ) 1.0 -60 30 2
!Asn68
assign (resid 67 and name c  ) (resid 68 and name n  )
       (resid 68 and name ca  ) (resid 68 and name c  ) 1.0 -90 30 2
!Ala69
assign (resid 68 and name c  ) (resid 69 and name n  )
       (resid 69 and name ca  ) (resid 69 and name c  ) 1.0 -80 40 2
!Lus70
assign (resid 69 and name c  ) (resid 70 and name n  )
       (resid 70 and name ca  ) (resid 70 and name c  ) 1.0 -90 30 2
!Lys71
assign (resid 70 and name c  ) (resid 71 and name n  )
       (resid 71 and name ca  ) (resid 71 and name c  ) 1.0 -120 30 2
!Ile72
assign (resid 71 and name c  ) (resid 72 and name n  )
       (resid 72 and name ca  ) (resid 72 and name c  ) 1.0 -120 30 2
!Glu73
assign (resid 72 and name c  ) (resid 73 and name n  )
       (resid 73 and name ca  ) (resid 73 and name c  ) 1.0 -105 30 2
!Val74
assign (resid 73 and name c  ) (resid 74 and name n  )
       (resid 74 and name ca  ) (resid 74 and name c  ) 1.0 -120 45 2
!Glu75
assign (resid 74 and name c  ) (resid 75 and name n  )
       (resid 75 and name ca  ) (resid 75 and name c  ) 1.0 -120 45 2
!Phe76
assign (resid 75 and name c  ) (resid 76 and name n  )
       (resid 76 and name ca  ) (resid 76 and name c  ) 1.0 -80 45 2
!Asp77
assign (resid 76 and name c  ) (resid 77 and name n  )
       (resid 77 and name ca  ) (resid 77 and name c  ) 1.0 -105 30 2
!Lys78
assign (resid 77  and name c  ) (resid 78  and name n  )
       (resid 78  and name ca  ) (resid 78  and name c  ) 1.0 -60 30 2
!Gly79
assign (resid 78 and name c  ) (resid 79 and name n  )
       (resid 79 and name ca  ) (resid 79 and name c  ) 1.0 -95 30 2
!Gln80
assign (resid 79  and name c  ) (resid 80  and name n  )
       (resid 80  and name ca  ) (resid 80  and name c  ) 1.0 -60 30 2
!Arg81
assign (resid 80 and name c  ) (resid 81 and name n  )
       (resid 81 and name ca  ) (resid 81 and name c  ) 1.0 -85 40 2
!Thr82
assign (resid 81 and name c  ) (resid 82 and name n  )
       (resid 82 and name ca  ) (resid 82 and name c  ) 1.0 -135 30 2
!Lys84
assign (resid 83 and name c  ) (resid 84 and name n  )
       (resid 84 and name ca  ) (resid 84 and name c  ) 1.0 -60 30 2
!Tyr85
assign (resid 84 and name c  ) (resid 85 and name n  )
       (resid 85 and name ca  ) (resid 85 and name c  ) 1.0 -120 40 2         
!Gly86
assign (resid 85  and name c  ) (resid 86  and name n  )
       (resid 86  and name ca  ) (resid 86  and name c  ) 1.0 60 30 2 
!Arg87
assign (resid 86 and name c  ) (resid 87 and name n  )
       (resid 87 and name ca  ) (resid 87 and name c  ) 1.0 -105 30 2
!Gly88
assign (resid 87  and name c  ) (resid 88  and name n  )
       (resid 88  and name ca  ) (resid 88  and name c  ) 1.0 -60 30 2 
!Leu89
assign (resid 88 and name c  ) (resid 89 and name n  )
       (resid 89 and name ca  ) (resid 89 and name c  ) 1.0 -95 40 2
!Ala90
assign (resid 89 and name c  ) (resid 90 and name n  )
       (resid 90 and name ca  ) (resid 90 and name c  ) 1.0 -135 35 2
!Tyr91
assign (resid 90 and name c  ) (resid 91 and name n  )
       (resid 91 and name ca  ) (resid 91 and name c  ) 1.0 -105 45 2
!Ile92
assign (resid 91 and name c  ) (resid 92 and name n  )
       (resid 92 and name ca  ) (resid 92 and name c  ) 1.0 -120 35 2
!Tyr93
assign (resid 92 and name c  ) (resid 93 and name n  )
       (resid 93 and name ca  ) (resid 93 and name c  ) 1.0 -120 40 2
!Ala94
assign (resid 93 and name c  ) (resid 94 and name n  )
       (resid 94 and name ca  ) (resid 94 and name c  ) 1.0 -120 40 2
!Asp95
assign (resid 94 and name c  ) (resid 95 and name n  )
       (resid 95 and name ca  ) (resid 95 and name c  ) 1.0 55 28 2         
!Gly96
assign (resid 95 and name c  ) (resid 96 and name n  )
       (resid 96 and name ca  ) (resid 96 and name c  ) 1.0 60 30 2
!Lys97
assign (resid 96 and name c  ) (resid 97 and name n  )
       (resid 97 and name ca  ) (resid 97 and name c  ) 1.0 -115 30 2
!Met98
assign (resid 97  and name c  ) (resid 98  and name n  )
       (resid 98  and name ca  ) (resid 98  and name c  ) 1.0 -60 30 2 
!Val99
assign (resid 98  and name c  ) (resid 99  and name n  )
       (resid 99  and name ca  ) (resid 99  and name c  ) 1.0 -60 30 2 
!Asn100
assign (resid 99  and name c  ) (resid 100  and name n  )
       (resid 100  and name ca  ) (resid 100  and name c  ) 1.0 -60 30 2 
!Glu101
assign (resid 100 and name c  ) (resid 101 and name n  )
       (resid 101 and name ca  ) (resid 101 and name c  ) 1.0 -60 30 2
!Ala102
assign (resid 101  and name c  ) (resid 102  and name n  )
       (resid 102  and name ca  ) (resid 102  and name c  ) 1.0 -60 30 2
!Leu103
assign (resid 102  and name c  ) (resid 103  and name n  )
       (resid 103  and name ca  ) (resid 103  and name c  ) 1.0 -60 30 2
!Val104
assign (resid 103  and name c  ) (resid 104  and name n  )
       (resid 104  and name ca  ) (resid 104  and name c  ) 1.0 -60 30 2 
!Arg105
assign (resid 104  and name c  ) (resid 105  and name n  )
       (resid 105  and name ca ) (resid 105 and name c ) 1.0 -60 30 2 
!Gln106
assign (resid 105 and name c  ) (resid 106 and name n  )
       (resid 106 and name ca  ) (resid 106 and name c  ) 1.0 -90 30 2
!Gly107
assign (resid 106 and name c ) (resid 107 and name n )
       (resid 107 and name ca ) (resid 107 and name c ) 1.0 60 30 2
!Leu108
assign (resid 107 and name c  ) (resid 108 and name n  )
       (resid 108 and name ca  ) (resid 108 and name c  ) 1.0 -95 35 2
!Ala109
assign (resid 108 and name c  ) (resid 109 and name n  )
       (resid 109 and name ca  ) (resid 109 and name c  ) 1.0 -140 40 2
!Val111
assign (resid 110 and name c  ) (resid 111 and name n  )
       (resid 111 and name ca  ) (resid 111 and name c  ) 1.0 -75 30 2
!Ala112
assign (resid 111 and name c  ) (resid 112 and name n  )
       (resid 112 and name ca  ) (resid 112 and name c  ) 1.0 -85 40 2        
!Tyr113
assign (resid 112 and name c  ) (resid 113 and name n  )
       (resid 113 and name ca  ) (resid 113 and name c  ) 1.0 -75 40 2 
!Val114
assign (resid 113 and name c  ) (resid 114 and name n  )
       (resid 114 and name ca  ) (resid 114 and name c  ) 1.5 -95 10 2 
!Tyr115
assign (resid 114 and name c  ) (resid 115 and name n  )
       (resid 115 and name ca  ) (resid 115 and name c  ) 1.5 -120 10 2 
!Lys116
assign (resid 115 and name c  ) (resid 116 and name n  )
       (resid 116 and name ca  ) (resid 116 and name c  ) 1.0 -60 30 2     
!Asn118
assign (resid 117 and name c  ) (resid 118 and name n  )
       (resid 118 and name ca  ) (resid 118 and name c  ) 1.0 -95 40 2
!Asn119
assign (resid 118 and name c  ) (resid 119 and name n  )
       (resid 119 and name ca  ) (resid 119 and name c  ) 1.0 -135 40 2    
!Thr120
assign (resid 119 and name c  ) (resid 120 and name n  )
       (resid 120 and name ca  ) (resid 120 and name c  ) 1.0 -60 30 2
!His121
assign (resid 120 and name c  ) (resid 121 and name n  )
       (resid 121 and name ca  ) (resid 121 and name c  ) 1.0 -85 30 2
!Glu122
assign (resid 121 and name c ) (resid 122 and name n )
       (resid 122 and name ca ) (resid 122 and name c ) 1.0 -60 30 2
!Gln123
assign (resid 122 and name c ) (resid 123 and name n )
       (resid 123 and name ca ) (resid 123 and name c ) 1.0 -60 30 2
!Leu124
assign (resid 123 and name c ) (resid 124 and name n )
       (resid 124 and name ca ) (resid 124 and name c ) 1.0 -60 30 2
!Leu125
assign (resid 124 and name c ) (resid 125 and name n )
       (resid 125 and name ca ) (resid 125 and name c ) 1.0 -60 30 2
!Arg126
assign (resid 125 and name c ) (resid 126 and name n )
       (resid 126 and name ca ) (resid 126 and name c ) 1.0 -60 30 2
!Lys127
assign (resid 126 and name c  ) (resid 127 and name n  )
       (resid 127 and name ca  ) (resid 127 and name c  ) 1.0 -60 30 2
!Ser128
assign (resid 127 and name c ) (resid 128 and name n )
       (resid 128 and name ca ) (resid 128 and name c ) 1.0 -60 30 2
!Glu129
assign (resid 128 and name c ) (resid 129 and name n )
       (resid 129 and name ca ) (resid 129 and name c ) 1.0 -60 30 2
!Ala130
assign (resid 129 and name c ) (resid 130 and name n )
       (resid 130 and name ca ) (resid 130 and name c ) 1.0 -60 30 2
!Gln131
assign (resid 130 and name c  ) (resid 131 and name n  )
       (resid 131 and name ca  ) (resid 131 and name c  ) 1.0 -70 35 2
!Ala132
assign (resid 131 and name c ) (resid 132 and name n )
       (resid 132 and name ca ) (resid 132 and name c ) 1.0 -60 30 2
!Lys133 
assign (resid 132 and name c ) (resid 133 and name n )
       (resid 133 and name ca ) (resid 133 and name c ) 1.0 -60 30 2
!Lys134
assign (resid 133 and name c ) (resid 134 and name n )
       (resid 134 and name ca ) (resid 134 and name c ) 1.0 -60 30 2
!Glu135
assign (resid 134 and name c  ) (resid 135 and name n  )
       (resid 135 and name ca  ) (resid 135 and name c  ) 1.0 -90 30 2
!Lys136
assign (resid 135 and name c  ) (resid 136 and name n  )
       (resid 136 and name ca  ) (resid 136 and name c  ) 1.0 60 30 2
!Leu137
assign (resid 136 and name c  ) (resid 137 and name n  )
       (resid 137 and name ca  ) (resid 137 and name c  ) 1.0 -75 30 2
!Asn138
assign (resid 137 and name c  ) (resid 138 and name n  )
       (resid 138 and name ca  ) (resid 138 and name c  ) 1.0 60 30 2
!Ile139
assign (resid 138 and name c  ) (resid 139 and name n  )
       (resid 139 and name ca  ) (resid 139 and name c  ) 1.0 -60 30 2
!Trp140
assign (resid 139 and name c  ) (resid 140 and name n  )
       (resid 140 and name ca  ) (resid 140 and name c  ) 1.0 -85 30 2
!Ser141
assign (resid 140 and name c  ) (resid 141 and name n  )
       (resid 141 and name ca  ) (resid 141 and name c  ) 1.0 -85 30 2
!Glu142
assign (resid 141 and name c  ) (resid 142 and name n  )
       (resid 142 and name ca  ) (resid 142 and name c  ) 1.0 -85 30 2
!Asp143
assign (resid 142 and name c  ) (resid 143 and name n  )
       (resid 143 and name ca  ) (resid 143 and name c  ) 1.0 -95 40 2
!Chi restraints :
!Lys24
assign (resid 24 and name n ) (resid 24 and name ca )
       (resid 24 and name cb ) (resid 24 and name cg ) 1.0 -175 30 2
!Leu25
assign (resid 25 and name n ) (resid 25 and name ca )
       (resid 25 and name cb ) (resid 25 and name cg ) 1.0 -55 25 2
!Met26
assign (resid 26 and name n ) (resid 26 and name ca )
       (resid 26 and name cb ) (resid 26 and name cg ) 1.0 -175 30 2
!Tyr27
assign (resid 27 and name n ) (resid 27 and name ca )
       (resid 27 and name cb ) (resid 27 and name cg ) 1.0 175 30 2
!Lys28
assign (resid 28 and name n ) (resid 28 and name ca )
       (resid 28 and name cb ) (resid 28 and name cg ) 1.0 -80 25 2
!Phe34
assign (resid 34 and name n ) (resid 34 and name ca )
       (resid 34 and name cb ) (resid 34 and name cg ) 1.0 -85 25 2
!Phe61
assign (resid 61 and name n ) (resid 61 and name ca )
       (resid 61 and name cb ) (resid 61 and name cg ) 1.0 -175 30 2
!Phe76
assign (resid 76 and name n ) (resid 76 and name ca )
       (resid 76 and name cb ) (resid 76 and name cg ) 1.0 -70 25 2
!Tyr85
assign (resid 85 and name n ) (resid 85 and name ca )
       (resid 85 and name cb ) (resid 85 and name cg ) 1.0 -70 25 2
!Leu89
assign (resid 89 and name n ) (resid 89 and name ca )
       (resid 89 and name cb ) (resid 89 and name cg ) 1.0 -70 25 2
!Tyr93
assign (resid 93 and name n ) (resid 93 and name ca )
       (resid 93 and name cb ) (resid 93 and name cg ) 1.0 -70 25 2
!Asp95
assign (resid 95 and name n ) (resid 95 and name ca )
       (resid 95 and name cb ) (resid 95 and name cg ) 1.0 -75 25 2
!Asn100
assign (resid 100 and name n ) (resid 100 and name ca )
       (resid 100 and name cb ) (resid 100 and name cg ) 1.0 -40 20 2
!Glu101
assign (resid 101 and name n ) (resid 101 and name ca )
       (resid 101 and name cb ) (resid 101 and name cg ) 1.0 -175 30 2
!Leu103
assign (resid 103 and name n ) (resid 103 and name ca )
       (resid 103 and name cb ) (resid 103 and name cg ) 1.0 -76 25 2
!Tyr115
assign (resid 115 and name n ) (resid 115 and name ca )
       (resid 115 and name cb ) (resid 115 and name cg ) 1.0 -60 25 2
!Asn118
assign (resid 118 and name n ) (resid 118 and name ca )
       (resid 118 and name cb ) (resid 118 and name cg ) 1.0 -90 25 2
!His121
assign (resid 121 and name n ) (resid 121 and name ca )
       (resid 121 and name cb ) (resid 121 and name cg ) 1.0 -60 25 2
!Glu122
assign (resid 122 and name n ) (resid 122 and name ca )
       (resid 122 and name cb ) (resid 122 and name cg ) 1.0 180 30 2
!Trp140
assign (resid 140 and name n ) (resid 140 and name ca )
       (resid 140 and name cb ) (resid 140 and name cg ) 1.0 -60 20 2
end

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          HT1       ALA   1 143.071   6.279  10.248
    2   2H    ALA   1          HT2       ALA   1 144.578   5.534  10.003
    3   3H    ALA   1          HT3       ALA   1 143.292   4.654  10.677
    4    HA   ALA   1           HA       ALA   1 143.694   4.112   8.318
    5   1HB   ALA   1          HB1       ALA   1 141.521   3.549   8.787
    6   2HB   ALA   1          HB2       ALA   1 141.182   4.900   7.705
    7   3HB   ALA   1          HB3       ALA   1 141.145   5.139   9.452
    8    H    THR   2           HN       THR   2 144.864   5.168   6.771
    9    HA   THR   2           HA       THR   2 145.510   6.841   5.255
   10    HB   THR   2           HB       THR   2 142.796   7.997   5.091
   11    HG1  THR   2           HG1      THR   2 143.007   5.419   4.094
   12   1HG2  THR   2          HG21      THR   2 145.022   7.142   3.359
   13   2HG2  THR   2          HG22      THR   2 143.891   8.481   3.161
   14   3HG2  THR   2          HG23      THR   2 143.419   6.849   2.684
   15    H    SER   3           HN       SER   3 145.177   9.377   4.855
   16    HA   SER   3           HA       SER   3 145.548  10.621   7.521
   17   1HB   SER   3          HB2       SER   3 146.781  12.274   6.443
   18   2HB   SER   3          HB1       SER   3 147.077  10.900   5.381
   19    HG   SER   3           HG       SER   3 146.407  12.827   4.273
   20    H    THR   4           HN       THR   4 143.755  11.319   4.498
   21    HA   THR   4           HA       THR   4 141.683  12.642   6.200
   22    HB   THR   4           HB       THR   4 142.088  13.626   3.417
   23    HG1  THR   4           HG1      THR   4 143.914  13.904   5.527
   24   1HG2  THR   4          HG21      THR   4 141.499  15.758   4.492
   25   2HG2  THR   4          HG22      THR   4 141.556  14.984   6.076
   26   3HG2  THR   4          HG23      THR   4 140.323  14.511   4.906
   27    H    LYS   5           HN       LYS   5 141.834   9.902   5.109
   28    HA   LYS   5           HA       LYS   5 140.248   8.411   4.214
   29   1HB   LYS   5          HB2       LYS   5 138.762  10.743   4.762
   30   2HB   LYS   5          HB1       LYS   5 138.349  10.294   3.107
   31   1HG   LYS   5          HG2       LYS   5 137.422   8.275   3.736
   32   2HG   LYS   5          HG1       LYS   5 138.464   8.118   5.150
   33   1HD   LYS   5          HD2       LYS   5 136.454  10.343   5.064
   34   2HD   LYS   5          HD1       LYS   5 135.912   8.711   5.457
   35   1HE   LYS   5          HE2       LYS   5 138.354   9.659   6.859
   36   2HE   LYS   5          HE1       LYS   5 136.837  10.426   7.326
   37   1HZ   LYS   5          HZ1       LYS   5 137.350   7.502   7.257
   38   2HZ   LYS   5          HZ2       LYS   5 135.884   8.239   7.700
   39   3HZ   LYS   5          HZ3       LYS   5 137.272   8.460   8.654
   40    H    LYS   6           HN       LYS   6 139.693   7.621   2.082
   41    HA   LYS   6           HA       LYS   6 141.017   9.175  -0.106
   42   1HB   LYS   6          HB2       LYS   6 141.030   6.296   0.631
   43   2HB   LYS   6          HB1       LYS   6 140.942   6.659  -1.093
   44   1HG   LYS   6          HG2       LYS   6 142.939   8.066  -0.930
   45   2HG   LYS   6          HG1       LYS   6 143.012   7.793   0.812
   46   1HD   LYS   6          HD2       LYS   6 144.466   6.137   0.159
   47   2HD   LYS   6          HD1       LYS   6 142.960   5.232  -0.003
   48   1HE   LYS   6          HE2       LYS   6 143.400   4.948  -2.190
   49   2HE   LYS   6          HE1       LYS   6 143.297   6.695  -2.411
   50   1HZ   LYS   6          HZ1       LYS   6 145.666   5.012  -1.984
   51   2HZ   LYS   6          HZ2       LYS   6 145.697   6.629  -1.462
   52   3HZ   LYS   6          HZ3       LYS   6 145.425   6.267  -3.099
   53    H    LEU   7           HN       LEU   7 138.036   8.369   1.056
   54    HA   LEU   7           HA       LEU   7 136.877   8.259  -1.701
   55   1HB   LEU   7          HB2       LEU   7 136.233   6.773   0.785
   56   2HB   LEU   7          HB1       LEU   7 134.851   7.346  -0.149
   57    HG   LEU   7           HG       LEU   7 137.152   5.856  -1.423
   58   1HD1  LEU   7          HD11      LEU   7 135.698   4.676   0.484
   59   2HD1  LEU   7          HD12      LEU   7 136.164   3.816  -0.983
   60   3HD1  LEU   7          HD13      LEU   7 134.548   4.511  -0.843
   61   1HD2  LEU   7          HD21      LEU   7 135.241   7.326  -2.602
   62   2HD2  LEU   7          HD22      LEU   7 134.333   5.827  -2.407
   63   3HD2  LEU   7          HD23      LEU   7 135.841   5.832  -3.322
   64    H    HIS   8           HN       HIS   8 135.306   9.781  -2.183
   65    HA   HIS   8           HA       HIS   8 134.562  11.665   0.020
   66   1HB   HIS   8          HB2       HIS   8 135.619  12.132  -2.701
   67   2HB   HIS   8          HB1       HIS   8 134.246  13.142  -2.255
   68    HD1  HIS   8           HD1      HIS   8 137.840  12.940  -1.899
   69    HD2  HIS   8           HD2      HIS   8 134.728  14.458   0.424
   70    HE1  HIS   8           HE1      HIS   8 138.898  14.523  -0.228
   71    H    LYS   9           HN       LYS   9 132.592  13.087  -1.198
   72    HA   LYS   9           HA       LYS   9 130.665  11.085  -2.275
   73   1HB   LYS   9          HB2       LYS   9 129.884  13.088  -0.149
   74   2HB   LYS   9          HB1       LYS   9 128.963  11.698  -0.724
   75   1HG   LYS   9          HG2       LYS   9 131.071  10.341   0.101
   76   2HG   LYS   9          HG1       LYS   9 131.341  11.767   1.104
   77   1HD   LYS   9          HD2       LYS   9 129.474  11.391   2.386
   78   2HD   LYS   9          HD1       LYS   9 128.571  10.680   1.048
   79   1HE   LYS   9          HE2       LYS   9 129.351   8.574   1.464
   80   2HE   LYS   9          HE1       LYS   9 130.948   9.151   1.940
   81   1HZ   LYS   9          HZ1       LYS   9 129.561   8.183   3.767
   82   2HZ   LYS   9          HZ2       LYS   9 128.531   9.526   3.614
   83   3HZ   LYS   9          HZ3       LYS   9 130.154   9.744   4.065
   84    H    GLU  10           HN       GLU  10 129.462  11.906  -3.942
   85    HA   GLU  10           HA       GLU  10 129.892  14.760  -4.638
   86   1HB   GLU  10          HB2       GLU  10 128.824  12.391  -6.192
   87   2HB   GLU  10          HB1       GLU  10 128.797  14.039  -6.820
   88   1HG   GLU  10          HG2       GLU  10 131.327  12.733  -5.802
   89   2HG   GLU  10          HG1       GLU  10 130.821  12.633  -7.488
   90    HA   PRO  11           HA       PRO  11 125.783  15.893  -3.505
   91   1HB   PRO  11          HB2       PRO  11 125.510  18.089  -5.107
   92   2HB   PRO  11          HB1       PRO  11 126.554  18.064  -3.675
   93   1HG   PRO  11          HG2       PRO  11 127.304  17.914  -6.560
   94   2HG   PRO  11          HG1       PRO  11 128.191  18.625  -5.202
   95   1HD   PRO  11          HD2       PRO  11 128.733  16.128  -6.350
   96   2HD   PRO  11          HD1       PRO  11 129.280  16.660  -4.745
   97    H    ALA  12           HN       ALA  12 123.732  15.304  -4.196
   98    HA   ALA  12           HA       ALA  12 123.180  15.154  -7.107
   99   1HB   ALA  12          HB1       ALA  12 124.013  12.892  -5.990
  100   2HB   ALA  12          HB2       ALA  12 122.687  12.888  -7.152
  101   3HB   ALA  12          HB3       ALA  12 122.344  12.822  -5.423
  102    H    THR  13           HN       THR  13 120.807  14.865  -7.507
  103    HA   THR  13           HA       THR  13 119.212  15.925  -5.205
  104    HB   THR  13           HB       THR  13 118.337  16.375  -8.030
  105    HG1  THR  13           HG1      THR  13 120.167  17.328  -8.405
  106   1HG2  THR  13          HG21      THR  13 117.628  17.243  -5.407
  107   2HG2  THR  13          HG22      THR  13 116.873  17.682  -6.939
  108   3HG2  THR  13          HG23      THR  13 118.204  18.648  -6.303
  109    H    LEU  14           HN       LEU  14 116.796  15.393  -5.496
  110    HA   LEU  14           HA       LEU  14 116.596  12.511  -6.117
  111   1HB   LEU  14          HB2       LEU  14 115.641  13.254  -4.004
  112   2HB   LEU  14          HB1       LEU  14 114.645  14.448  -4.838
  113    HG   LEU  14           HG       LEU  14 113.590  12.538  -6.117
  114   1HD1  LEU  14          HD11      LEU  14 114.001  10.413  -4.369
  115   2HD1  LEU  14          HD12      LEU  14 115.613  11.099  -4.573
  116   3HD1  LEU  14          HD13      LEU  14 114.695  10.570  -5.982
  117   1HD2  LEU  14          HD21      LEU  14 113.346  12.469  -3.091
  118   2HD2  LEU  14          HD22      LEU  14 112.149  11.853  -4.231
  119   3HD2  LEU  14          HD23      LEU  14 112.492  13.582  -4.160
  120    H    ILE  15           HN       ILE  15 115.343  11.681  -7.779
  121    HA   ILE  15           HA       ILE  15 114.075  13.692  -9.599
  122    HB   ILE  15           HB       ILE  15 115.382  11.027 -10.228
  123   1HG1  ILE  15          HG12      ILE  15 116.041  13.909 -10.901
  124   2HG1  ILE  15          HG11      ILE  15 117.004  12.795  -9.930
  125   1HG2  ILE  15          HG21      ILE  15 113.235  11.652 -11.532
  126   2HG2  ILE  15          HG22      ILE  15 114.675  11.266 -12.473
  127   3HG2  ILE  15          HG23      ILE  15 114.202  12.948 -12.235
  128   1HD1  ILE  15          HD11      ILE  15 118.077  12.209 -11.824
  129   2HD1  ILE  15          HD12      ILE  15 116.934  13.115 -12.815
  130   3HD1  ILE  15          HD13      ILE  15 116.575  11.451 -12.355
  131    H    LYS  16           HN       LYS  16 113.876  10.162  -9.017
  132    HA   LYS  16           HA       LYS  16 111.109  10.309  -8.174
  133   1HB   LYS  16          HB2       LYS  16 110.106   9.184 -10.112
  134   2HB   LYS  16          HB1       LYS  16 110.828  10.714 -10.609
  135   1HG   LYS  16          HG2       LYS  16 112.926   9.376 -11.195
  136   2HG   LYS  16          HG1       LYS  16 111.935   7.929 -11.002
  137   1HD   LYS  16          HD2       LYS  16 110.584   9.920 -12.634
  138   2HD   LYS  16          HD1       LYS  16 112.153   9.489 -13.315
  139   1HE   LYS  16          HE2       LYS  16 111.093   7.682 -14.177
  140   2HE   LYS  16          HE1       LYS  16 111.144   7.038 -12.536
  141   1HZ   LYS  16          HZ1       LYS  16 108.946   8.648 -13.717
  142   2HZ   LYS  16          HZ2       LYS  16 109.000   8.096 -12.110
  143   3HZ   LYS  16          HZ3       LYS  16 108.903   6.984 -13.391
  144    H    ALA  17           HN       ALA  17 111.220   8.742  -6.639
  145    HA   ALA  17           HA       ALA  17 113.001   6.433  -6.984
  146   1HB   ALA  17          HB1       ALA  17 112.875   6.260  -4.727
  147   2HB   ALA  17          HB2       ALA  17 111.114   6.353  -4.735
  148   3HB   ALA  17          HB3       ALA  17 112.075   7.831  -4.788
  149    H    ILE  18           HN       ILE  18 112.242   4.224  -6.983
  150    HA   ILE  18           HA       ILE  18 109.391   3.946  -7.851
  151    HB   ILE  18           HB       ILE  18 111.859   2.481  -8.825
  152   1HG1  ILE  18          HG12      ILE  18 109.776   4.015 -10.397
  153   2HG1  ILE  18          HG11      ILE  18 111.228   4.784  -9.755
  154   1HG2  ILE  18          HG21      ILE  18 108.975   1.773  -8.872
  155   2HG2  ILE  18          HG22      ILE  18 110.392   0.726  -8.947
  156   3HG2  ILE  18          HG23      ILE  18 109.844   1.573 -10.393
  157   1HD1  ILE  18          HD11      ILE  18 111.339   2.305 -11.483
  158   2HD1  ILE  18          HD12      ILE  18 112.662   3.394 -11.064
  159   3HD1  ILE  18          HD13      ILE  18 111.389   3.933 -12.160
  160    H    ASP  19           HN       ASP  19 112.104   1.904  -6.693
  161    HA   ASP  19           HA       ASP  19 110.133   0.583  -4.870
  162   1HB   ASP  19          HB2       ASP  19 112.274  -0.508  -6.630
  163   2HB   ASP  19          HB1       ASP  19 112.069  -1.278  -5.057
  164    H    GLY  20           HN       GLY  20 111.885  -0.803  -3.256
  165   1HA   GLY  20          HA2       GLY  20 112.977   1.367  -1.625
  166   2HA   GLY  20          HA1       GLY  20 112.973  -0.349  -1.202
  167    H    ASP  21           HN       ASP  21 114.188  -0.858  -3.987
  168    HA   ASP  21           HA       ASP  21 116.987  -0.180  -3.184
  169   1HB   ASP  21          HB2       ASP  21 115.781  -2.544  -4.606
  170   2HB   ASP  21          HB1       ASP  21 117.484  -2.145  -4.833
  171    H    THR  22           HN       THR  22 114.574   0.154  -5.648
  172    HA   THR  22           HA       THR  22 116.610   1.175  -7.570
  173    HB   THR  22           HB       THR  22 113.682   0.921  -8.199
  174    HG1  THR  22           HG1      THR  22 115.587  -1.176  -8.291
  175   1HG2  THR  22          HG21      THR  22 114.546   1.590 -10.170
  176   2HG2  THR  22          HG22      THR  22 115.279  -0.010 -10.284
  177   3HG2  THR  22          HG23      THR  22 116.198   1.334  -9.607
  178    H    VAL  23           HN       VAL  23 116.979   3.333  -7.395
  179    HA   VAL  23           HA       VAL  23 114.625   5.124  -7.030
  180    HB   VAL  23           HB       VAL  23 115.939   6.522  -5.463
  181   1HG1  VAL  23          HG11      VAL  23 115.653   3.602  -4.691
  182   2HG1  VAL  23          HG12      VAL  23 114.431   4.862  -4.512
  183   3HG1  VAL  23          HG13      VAL  23 115.903   4.916  -3.541
  184   1HG2  VAL  23          HG21      VAL  23 118.032   5.578  -4.511
  185   2HG2  VAL  23          HG22      VAL  23 118.186   5.893  -6.239
  186   3HG2  VAL  23          HG23      VAL  23 117.939   4.245  -5.662
  187    H    LYS  24           HN       LYS  24 114.662   6.807  -8.457
  188    HA   LYS  24           HA       LYS  24 117.032   7.071 -10.209
  189   1HB   LYS  24          HB2       LYS  24 114.401   7.083 -10.815
  190   2HB   LYS  24          HB1       LYS  24 114.652   8.815 -10.589
  191   1HG   LYS  24          HG2       LYS  24 115.642   8.949 -12.602
  192   2HG   LYS  24          HG1       LYS  24 116.857   7.776 -12.092
  193   1HD   LYS  24          HD2       LYS  24 115.968   6.401 -13.653
  194   2HD   LYS  24          HD1       LYS  24 114.616   6.205 -12.537
  195   1HE   LYS  24          HE2       LYS  24 113.547   6.890 -14.511
  196   2HE   LYS  24          HE1       LYS  24 113.719   8.404 -13.623
  197   1HZ   LYS  24          HZ1       LYS  24 116.071   8.048 -15.033
  198   2HZ   LYS  24          HZ2       LYS  24 114.848   9.186 -15.339
  199   3HZ   LYS  24          HZ3       LYS  24 114.824   7.678 -16.121
  200    H    LEU  25           HN       LEU  25 118.468   8.731  -9.989
  201    HA   LEU  25           HA       LEU  25 117.604  11.142  -8.457
  202   1HB   LEU  25          HB2       LEU  25 120.389  10.087  -8.112
  203   2HB   LEU  25          HB1       LEU  25 119.421  11.066  -7.009
  204    HG   LEU  25           HG       LEU  25 118.888   8.156  -7.677
  205   1HD1  LEU  25          HD11      LEU  25 119.429   8.401  -4.963
  206   2HD1  LEU  25          HD12      LEU  25 120.610   9.475  -5.712
  207   3HD1  LEU  25          HD13      LEU  25 120.542   7.776  -6.180
  208   1HD2  LEU  25          HD21      LEU  25 116.902   8.419  -6.636
  209   2HD2  LEU  25          HD22      LEU  25 117.181  10.160  -6.688
  210   3HD2  LEU  25          HD23      LEU  25 117.668   9.231  -5.270
  211    H    MET  26           HN       MET  26 118.748  13.073  -9.046
  212    HA   MET  26           HA       MET  26 119.764  13.018 -11.806
  213   1HB   MET  26          HB2       MET  26 118.283  14.838 -11.275
  214   2HB   MET  26          HB1       MET  26 119.215  15.254  -9.837
  215   1HG   MET  26          HG2       MET  26 120.650  16.514 -11.036
  216   2HG   MET  26          HG1       MET  26 120.897  15.220 -12.209
  217   1HE   MET  26          HE1       MET  26 118.135  15.585 -14.758
  218   2HE   MET  26          HE2       MET  26 117.900  14.673 -13.268
  219   3HE   MET  26          HE3       MET  26 119.467  14.642 -14.073
  220    H    TYR  27           HN       TYR  27 121.875  12.411 -12.019
  221    HA   TYR  27           HA       TYR  27 123.852  13.696 -10.184
  222   1HB   TYR  27          HB2       TYR  27 123.566  11.309  -9.590
  223   2HB   TYR  27          HB1       TYR  27 123.956  10.859 -11.250
  224    HD1  TYR  27           HD1      TYR  27 125.417  13.369  -8.873
  225    HD2  TYR  27           HD2      TYR  27 126.088   9.919 -11.341
  226    HE1  TYR  27           HE1      TYR  27 127.836  13.452  -8.332
  227    HE2  TYR  27           HE2      TYR  27 128.506  10.001 -10.800
  228    HH   TYR  27           HH       TYR  27 129.837  11.170  -8.506
  229    H    LYS  28           HN       LYS  28 125.770  14.383 -11.188
  230    HA   LYS  28           HA       LYS  28 127.102  15.128 -12.966
  231   1HB   LYS  28          HB2       LYS  28 126.048  12.535 -14.124
  232   2HB   LYS  28          HB1       LYS  28 127.282  13.520 -14.911
  233   1HG   LYS  28          HG2       LYS  28 128.280  13.347 -12.368
  234   2HG   LYS  28          HG1       LYS  28 127.499  11.775 -12.539
  235   1HD   LYS  28          HD2       LYS  28 129.331  12.888 -14.669
  236   2HD   LYS  28          HD1       LYS  28 129.941  11.931 -13.319
  237   1HE   LYS  28          HE2       LYS  28 129.495  10.137 -14.632
  238   2HE   LYS  28          HE1       LYS  28 127.811  10.414 -14.185
  239   1HZ   LYS  28          HZ1       LYS  28 128.064  12.150 -16.167
  240   2HZ   LYS  28          HZ2       LYS  28 127.577  10.541 -16.409
  241   3HZ   LYS  28          HZ3       LYS  28 129.192  10.992 -16.680
  242    H    GLY  29           HN       GLY  29 124.188  15.873 -12.800
  243   1HA   GLY  29          HA2       GLY  29 122.736  17.205 -14.078
  244   2HA   GLY  29          HA1       GLY  29 124.040  17.354 -15.256
  245    H    GLN  30           HN       GLN  30 122.500  14.343 -14.172
  246    HA   GLN  30           HA       GLN  30 120.932  14.107 -16.631
  247   1HB   GLN  30          HB2       GLN  30 122.130  11.991 -17.322
  248   2HB   GLN  30          HB1       GLN  30 123.069  13.467 -17.545
  249   1HG   GLN  30          HG2       GLN  30 124.292  13.064 -15.487
  250   2HG   GLN  30          HG1       GLN  30 123.276  11.671 -15.113
  251   1HE2  GLN  30          HE21      GLN  30 125.305  12.825 -17.879
  252   2HE2  GLN  30          HE22      GLN  30 125.966  11.298 -18.214
  253    HA   PRO  31           HA       PRO  31 118.611  11.483 -13.953
  254   1HB   PRO  31          HB2       PRO  31 117.137  10.172 -15.846
  255   2HB   PRO  31          HB1       PRO  31 116.860  11.868 -15.411
  256   1HG   PRO  31          HG2       PRO  31 118.239  10.736 -17.812
  257   2HG   PRO  31          HG1       PRO  31 117.235  12.189 -17.673
  258   1HD   PRO  31          HD2       PRO  31 120.014  12.206 -17.753
  259   2HD   PRO  31          HD1       PRO  31 119.020  13.511 -17.069
  260    H    MET  32           HN       MET  32 119.824   9.858 -12.980
  261    HA   MET  32           HA       MET  32 120.406   7.444 -14.648
  262   1HB   MET  32          HB2       MET  32 122.205   9.065 -12.936
  263   2HB   MET  32          HB1       MET  32 122.345   7.316 -12.748
  264   1HG   MET  32          HG2       MET  32 122.537   7.137 -15.252
  265   2HG   MET  32          HG1       MET  32 122.608   8.897 -15.319
  266   1HE   MET  32          HE1       MET  32 125.021   6.320 -12.658
  267   2HE   MET  32          HE2       MET  32 125.258   5.670 -14.278
  268   3HE   MET  32          HE3       MET  32 123.625   5.888 -13.655
  269    H    THR  33           HN       THR  33 119.866   5.496 -13.688
  270    HA   THR  33           HA       THR  33 118.194   5.596 -11.303
  271    HB   THR  33           HB       THR  33 119.140   2.955 -12.228
  272    HG1  THR  33           HG1      THR  33 117.666   4.683 -13.926
  273   1HG2  THR  33          HG21      THR  33 116.437   3.034 -12.529
  274   2HG2  THR  33          HG22      THR  33 116.668   4.313 -11.337
  275   3HG2  THR  33          HG23      THR  33 117.240   2.679 -11.000
  276    H    PHE  34           HN       PHE  34 118.674   4.299  -9.346
  277    HA   PHE  34           HA       PHE  34 121.573   3.760  -8.934
  278   1HB   PHE  34          HB2       PHE  34 119.814   5.617  -7.342
  279   2HB   PHE  34          HB1       PHE  34 121.185   4.810  -6.579
  280    HD1  PHE  34           HD1      PHE  34 120.183   7.147  -9.285
  281    HD2  PHE  34           HD2      PHE  34 123.448   5.431  -7.081
  282    HE1  PHE  34           HE1      PHE  34 121.730   8.817 -10.275
  283    HE2  PHE  34           HE2      PHE  34 124.992   7.100  -8.070
  284    HZ   PHE  34           HZ       PHE  34 124.134   8.792  -9.666
  285    H    ARG  35           HN       ARG  35 121.707   1.687  -8.255
  286    HA   ARG  35           HA       ARG  35 119.394   0.524  -6.778
  287   1HB   ARG  35          HB2       ARG  35 120.418  -0.526  -8.932
  288   2HB   ARG  35          HB1       ARG  35 121.720  -1.053  -7.864
  289   1HG   ARG  35          HG2       ARG  35 120.236  -2.339  -6.517
  290   2HG   ARG  35          HG1       ARG  35 118.813  -1.575  -7.227
  291   1HD   ARG  35          HD2       ARG  35 118.733  -3.252  -8.726
  292   2HD   ARG  35          HD1       ARG  35 120.257  -2.663  -9.392
  293    HE   ARG  35           HE       ARG  35 120.659  -4.333  -7.048
  294   1HH1  ARG  35          HH11      ARG  35 121.380  -3.926 -10.271
  295   2HH1  ARG  35          HH12      ARG  35 121.519  -5.610 -10.649
  296   1HH2  ARG  35          HH21      ARG  35 120.268  -6.670  -7.594
  297   2HH2  ARG  35          HH22      ARG  35 120.889  -7.164  -9.133
  298    H    LEU  36           HN       LEU  36 119.646   0.539  -4.599
  299    HA   LEU  36           HA       LEU  36 121.915   1.159  -3.126
  300   1HB   LEU  36          HB2       LEU  36 119.848  -0.915  -2.332
  301   2HB   LEU  36          HB1       LEU  36 120.882   0.002  -1.237
  302    HG   LEU  36           HG       LEU  36 118.664   1.058  -3.003
  303   1HD1  LEU  36          HD11      LEU  36 117.900   1.981  -0.788
  304   2HD1  LEU  36          HD12      LEU  36 119.202   1.073  -0.020
  305   3HD1  LEU  36          HD13      LEU  36 117.909   0.219  -0.860
  306   1HD2  LEU  36          HD21      LEU  36 120.716   2.615  -1.395
  307   2HD2  LEU  36          HD22      LEU  36 119.337   3.308  -2.249
  308   3HD2  LEU  36          HD23      LEU  36 120.642   2.543  -3.156
  309    H    LEU  37           HN       LEU  37 123.883   0.211  -2.989
  310    HA   LEU  37           HA       LEU  37 124.316  -2.460  -4.099
  311   1HB   LEU  37          HB2       LEU  37 125.912  -0.152  -3.524
  312   2HB   LEU  37          HB1       LEU  37 126.620  -1.538  -2.694
  313    HG   LEU  37           HG       LEU  37 125.806  -1.573  -5.611
  314   1HD1  LEU  37          HD11      LEU  37 128.428  -1.598  -5.818
  315   2HD1  LEU  37          HD12      LEU  37 128.368  -0.801  -4.246
  316   3HD1  LEU  37          HD13      LEU  37 127.583  -0.059  -5.641
  317   1HD2  LEU  37          HD21      LEU  37 126.028  -3.799  -5.186
  318   2HD2  LEU  37          HD22      LEU  37 126.884  -3.518  -3.670
  319   3HD2  LEU  37          HD23      LEU  37 127.759  -3.463  -5.201
  320    H    LEU  38           HN       LEU  38 124.932  -4.309  -2.932
  321    HA   LEU  38           HA       LEU  38 124.940  -5.769  -1.097
  322   1HB   LEU  38          HB2       LEU  38 125.670  -3.292   0.488
  323   2HB   LEU  38          HB1       LEU  38 126.010  -4.969   0.917
  324    HG   LEU  38           HG       LEU  38 127.184  -3.379  -1.374
  325   1HD1  LEU  38          HD11      LEU  38 128.121  -4.434   1.249
  326   2HD1  LEU  38          HD12      LEU  38 128.596  -2.968   0.392
  327   3HD1  LEU  38          HD13      LEU  38 129.256  -4.529  -0.097
  328   1HD2  LEU  38          HD21      LEU  38 128.461  -5.728  -1.555
  329   2HD2  LEU  38          HD22      LEU  38 126.972  -5.413  -2.446
  330   3HD2  LEU  38          HD23      LEU  38 126.919  -6.322  -0.936
  331    H    VAL  39           HN       VAL  39 122.454  -4.327  -1.805
  332    HA   VAL  39           HA       VAL  39 121.105  -4.609   0.842
  333    HB   VAL  39           HB       VAL  39 120.037  -2.587  -1.080
  334   1HG1  VAL  39          HG11      VAL  39 120.010  -3.190   1.838
  335   2HG1  VAL  39          HG12      VAL  39 118.701  -2.643   0.790
  336   3HG1  VAL  39          HG13      VAL  39 119.902  -1.492   1.373
  337   1HG2  VAL  39          HG21      VAL  39 121.614  -0.979   0.391
  338   2HG2  VAL  39          HG22      VAL  39 122.136  -1.635  -1.161
  339   3HG2  VAL  39          HG23      VAL  39 122.655  -2.402   0.340
  340    H    ASP  40           HN       ASP  40 118.922  -5.385   0.689
  341    HA   ASP  40           HA       ASP  40 117.980  -6.172  -2.016
  342   1HB   ASP  40          HB2       ASP  40 118.970  -7.989   0.076
  343   2HB   ASP  40          HB1       ASP  40 117.367  -8.410  -0.529
  344    H    THR  41           HN       THR  41 115.803  -5.847  -2.188
  345    HA   THR  41           HA       THR  41 114.293  -5.388   0.353
  346    HB   THR  41           HB       THR  41 112.695  -4.239  -1.461
  347    HG1  THR  41           HG1      THR  41 114.117  -3.201  -2.992
  348   1HG2  THR  41          HG21      THR  41 113.362  -2.295  -0.482
  349   2HG2  THR  41          HG22      THR  41 115.059  -2.562  -0.881
  350   3HG2  THR  41          HG23      THR  41 114.346  -3.361   0.521
  351    HA   PRO  42           HA       PRO  42 111.728  -8.829  -0.642
  352   1HB   PRO  42          HB2       PRO  42 109.493  -8.098   0.751
  353   2HB   PRO  42          HB1       PRO  42 110.981  -8.656   1.537
  354   1HG   PRO  42          HG2       PRO  42 109.921  -5.874   1.261
  355   2HG   PRO  42          HG1       PRO  42 110.837  -6.602   2.591
  356   1HD   PRO  42          HD2       PRO  42 111.932  -4.929   0.652
  357   2HD   PRO  42          HD1       PRO  42 112.864  -6.078   1.638
  358    H    GLU  43           HN       GLU  43 109.993  -9.400  -2.052
  359    HA   GLU  43           HA       GLU  43 109.200  -7.329  -3.950
  360   1HB   GLU  43          HB2       GLU  43 108.969 -10.281  -3.739
  361   2HB   GLU  43          HB1       GLU  43 107.699  -9.473  -4.659
  362   1HG   GLU  43          HG2       GLU  43 109.334  -9.865  -6.294
  363   2HG   GLU  43          HG1       GLU  43 109.674  -8.205  -5.803
  364    H    THR  44           HN       THR  44 107.096  -6.498  -4.240
  365    HA   THR  44           HA       THR  44 105.193  -7.097  -2.009
  366    HB   THR  44           HB       THR  44 104.452  -4.809  -2.099
  367    HG1  THR  44           HG1      THR  44 106.214  -4.529  -4.302
  368   1HG2  THR  44          HG21      THR  44 107.116  -3.875  -2.290
  369   2HG2  THR  44          HG22      THR  44 107.207  -5.519  -1.659
  370   3HG2  THR  44          HG23      THR  44 106.233  -4.308  -0.826
  371    H    LYS  45           HN       LYS  45 105.576  -8.109  -4.939
  372    HA   LYS  45           HA       LYS  45 102.749  -7.598  -5.782
  373   1HB   LYS  45          HB2       LYS  45 105.197  -8.170  -7.478
  374   2HB   LYS  45          HB1       LYS  45 103.550  -8.094  -8.104
  375   1HG   LYS  45          HG2       LYS  45 103.994  -5.762  -6.513
  376   2HG   LYS  45          HG1       LYS  45 105.352  -5.929  -7.628
  377   1HD   LYS  45          HD2       LYS  45 103.223  -6.534  -9.253
  378   2HD   LYS  45          HD1       LYS  45 102.529  -5.306  -8.193
  379   1HE   LYS  45          HE2       LYS  45 105.224  -4.903  -9.486
  380   2HE   LYS  45          HE1       LYS  45 103.733  -4.494 -10.335
  381   1HZ   LYS  45          HZ1       LYS  45 104.740  -2.636  -9.051
  382   2HZ   LYS  45          HZ2       LYS  45 104.405  -3.496  -7.625
  383   3HZ   LYS  45          HZ3       LYS  45 103.134  -2.982  -8.628
  384    H    HIS  46           HN       HIS  46 105.055  -9.921  -4.796
  385    HA   HIS  46           HA       HIS  46 104.329 -12.263  -6.120
  386   1HB   HIS  46          HB2       HIS  46 105.661 -11.596  -3.680
  387   2HB   HIS  46          HB1       HIS  46 104.548 -12.927  -3.364
  388    HD1  HIS  46           HD1      HIS  46 104.768 -14.174  -6.287
  389    HD2  HIS  46           HD2      HIS  46 107.982 -13.206  -3.814
  390    HE1  HIS  46           HE1      HIS  46 106.719 -15.593  -7.059
  391    HA   PRO  47           HA       PRO  47 100.569 -12.760  -3.227
  392   1HB   PRO  47          HB2       PRO  47 100.150 -10.843  -1.325
  393   2HB   PRO  47          HB1       PRO  47 101.245 -12.216  -1.092
  394   1HG   PRO  47          HG2       PRO  47 101.896  -9.366  -1.489
  395   2HG   PRO  47          HG1       PRO  47 102.894 -10.660  -0.811
  396   1HD   PRO  47          HD2       PRO  47 102.995  -9.563  -3.482
  397   2HD   PRO  47          HD1       PRO  47 104.005 -10.854  -2.799
  398    H    LYS  48           HN       LYS  48  98.509 -12.276  -3.949
  399    HA   LYS  48           HA       LYS  48  98.112  -9.623  -5.248
  400   1HB   LYS  48          HB2       LYS  48  97.194 -12.372  -5.789
  401   2HB   LYS  48          HB1       LYS  48  95.932 -11.149  -5.939
  402   1HG   LYS  48          HG2       LYS  48  97.192 -11.542  -8.073
  403   2HG   LYS  48          HG1       LYS  48  97.279  -9.874  -7.507
  404   1HD   LYS  48          HD2       LYS  48  99.516  -9.986  -7.235
  405   2HD   LYS  48          HD1       LYS  48  99.402 -11.521  -6.373
  406   1HE   LYS  48          HE2       LYS  48  99.681 -12.775  -8.283
  407   2HE   LYS  48          HE1       LYS  48  98.907 -11.571  -9.312
  408   1HZ   LYS  48          HZ1       LYS  48 101.114 -11.386  -9.889
  409   2HZ   LYS  48          HZ2       LYS  48 101.673 -11.649  -8.307
  410   3HZ   LYS  48          HZ3       LYS  48 100.965 -10.162  -8.725
  411    H    LYS  49           HN       LYS  49  97.284 -11.391  -2.465
  412    HA   LYS  49           HA       LYS  49  94.676 -10.066  -2.082
  413   1HB   LYS  49          HB2       LYS  49  96.025 -12.367  -0.996
  414   2HB   LYS  49          HB1       LYS  49  95.553 -11.293   0.322
  415   1HG   LYS  49          HG2       LYS  49  93.314 -11.583  -0.060
  416   2HG   LYS  49          HG1       LYS  49  93.525 -11.724  -1.806
  417   1HD   LYS  49          HD2       LYS  49  94.262 -13.860   0.217
  418   2HD   LYS  49          HD1       LYS  49  92.822 -13.878  -0.801
  419   1HE   LYS  49          HE2       LYS  49  95.243 -13.415  -2.359
  420   2HE   LYS  49          HE1       LYS  49  95.315 -14.936  -1.470
  421   1HZ   LYS  49          HZ1       LYS  49  94.016 -15.782  -3.035
  422   2HZ   LYS  49          HZ2       LYS  49  93.757 -14.261  -3.746
  423   3HZ   LYS  49          HZ3       LYS  49  92.761 -14.789  -2.475
  424    H    GLY  50           HN       GLY  50  97.474  -8.701  -2.137
  425   1HA   GLY  50          HA2       GLY  50  98.091  -6.615  -1.159
  426   2HA   GLY  50          HA1       GLY  50  96.871  -6.872   0.094
  427    H    VAL  51           HN       VAL  51  99.912  -6.291   0.117
  428    HA   VAL  51           HA       VAL  51 101.077  -8.641   1.379
  429    HB   VAL  51           HB       VAL  51 102.038  -5.764   1.437
  430   1HG1  VAL  51          HG11      VAL  51 103.341  -8.433   2.023
  431   2HG1  VAL  51          HG12      VAL  51 103.177  -7.053   3.108
  432   3HG1  VAL  51          HG13      VAL  51 104.268  -6.962   1.726
  433   1HG2  VAL  51          HG21      VAL  51 103.542  -7.387  -0.345
  434   2HG2  VAL  51          HG22      VAL  51 102.501  -6.023  -0.753
  435   3HG2  VAL  51          HG23      VAL  51 101.840  -7.658  -0.724
  436    H    GLU  52           HN       GLU  52 100.776  -9.239   3.462
  437    HA   GLU  52           HA       GLU  52  99.580  -7.254   5.334
  438   1HB   GLU  52          HB2       GLU  52  99.856 -10.253   5.688
  439   2HB   GLU  52          HB1       GLU  52  98.875  -9.155   6.659
  440   1HG   GLU  52          HG2       GLU  52  98.480  -9.739   3.709
  441   2HG   GLU  52          HG1       GLU  52  97.472 -10.345   5.023
  442    H    LYS  53           HN       LYS  53 102.522  -8.773   4.569
  443    HA   LYS  53           HA       LYS  53 103.591  -8.669   7.315
  444   1HB   LYS  53          HB2       LYS  53 104.807  -9.401   4.640
  445   2HB   LYS  53          HB1       LYS  53 105.737  -9.353   6.138
  446   1HG   LYS  53          HG2       LYS  53 104.034 -10.945   7.131
  447   2HG   LYS  53          HG1       LYS  53 103.363 -11.122   5.509
  448   1HD   LYS  53          HD2       LYS  53 105.353 -12.097   4.668
  449   2HD   LYS  53          HD1       LYS  53 106.299 -11.560   6.057
  450   1HE   LYS  53          HE2       LYS  53 105.636 -13.315   7.348
  451   2HE   LYS  53          HE1       LYS  53 103.988 -13.277   6.722
  452   1HZ   LYS  53          HZ1       LYS  53 105.546 -15.236   6.121
  453   2HZ   LYS  53          HZ2       LYS  53 106.187 -14.155   4.978
  454   3HZ   LYS  53          HZ3       LYS  53 104.541 -14.573   4.927
  455    H    TYR  54           HN       TYR  54 105.341  -7.558   4.467
  456    HA   TYR  54           HA       TYR  54 105.229  -4.755   5.396
  457   1HB   TYR  54          HB2       TYR  54 107.845  -6.275   5.156
  458   2HB   TYR  54          HB1       TYR  54 107.673  -4.561   5.538
  459    HD1  TYR  54           HD1      TYR  54 105.873  -4.123   7.526
  460    HD2  TYR  54           HD2      TYR  54 108.182  -7.701   6.962
  461    HE1  TYR  54           HE1      TYR  54 105.588  -4.684   9.925
  462    HE2  TYR  54           HE2      TYR  54 107.898  -8.262   9.361
  463    HH   TYR  54           HH       TYR  54 105.628  -6.804  11.333
  464    H    GLY  55           HN       GLY  55 104.065  -4.958   3.209
  465   1HA   GLY  55          HA2       GLY  55 105.793  -5.313   0.866
  466   2HA   GLY  55          HA1       GLY  55 104.088  -4.861   0.837
  467    HA   PRO  56           HA       PRO  56 105.208  -0.636   0.285
  468   1HB   PRO  56          HB2       PRO  56 103.145   0.611   1.566
  469   2HB   PRO  56          HB1       PRO  56 102.944  -0.255   0.034
  470   1HG   PRO  56          HG2       PRO  56 102.140  -1.078   2.782
  471   2HG   PRO  56          HG1       PRO  56 101.405  -1.487   1.224
  472   1HD   PRO  56          HD2       PRO  56 103.103  -3.157   2.729
  473   2HD   PRO  56          HD1       PRO  56 102.660  -3.390   1.024
  474    H    GLU  57           HN       GLU  57 107.010  -1.327   2.063
  475    HA   GLU  57           HA       GLU  57 106.720   0.623   4.311
  476   1HB   GLU  57          HB2       GLU  57 106.971  -2.166   4.539
  477   2HB   GLU  57          HB1       GLU  57 108.575  -1.529   4.905
  478   1HG   GLU  57          HG2       GLU  57 107.493  -1.471   6.993
  479   2HG   GLU  57          HG1       GLU  57 107.307   0.180   6.401
  480    H    ALA  58           HN       ALA  58 109.195  -1.326   2.595
  481    HA   ALA  58           HA       ALA  58 111.314   0.543   3.154
  482   1HB   ALA  58          HB1       ALA  58 110.955  -1.892   1.510
  483   2HB   ALA  58          HB2       ALA  58 112.293  -1.432   2.563
  484   3HB   ALA  58          HB3       ALA  58 112.187  -0.771   0.931
  485    H    SER  59           HN       SER  59 108.967   0.227   0.548
  486    HA   SER  59           HA       SER  59 110.265   2.095  -1.238
  487   1HB   SER  59          HB2       SER  59 108.723   0.886  -2.436
  488   2HB   SER  59          HB1       SER  59 107.622   0.739  -1.068
  489    HG   SER  59           HG       SER  59 106.739   2.140  -2.581
  490    H    ALA  60           HN       ALA  60 107.835   2.392   1.326
  491    HA   ALA  60           HA       ALA  60 107.274   5.187   0.809
  492   1HB   ALA  60          HB1       ALA  60 105.566   4.384   2.099
  493   2HB   ALA  60          HB2       ALA  60 106.616   4.869   3.430
  494   3HB   ALA  60          HB3       ALA  60 106.593   3.190   2.891
  495    H    PHE  61           HN       PHE  61 109.525   3.438   2.911
  496    HA   PHE  61           HA       PHE  61 110.481   5.831   4.254
  497   1HB   PHE  61          HB2       PHE  61 110.765   3.744   5.405
  498   2HB   PHE  61          HB1       PHE  61 111.563   3.012   4.013
  499    HD1  PHE  61           HD1      PHE  61 111.952   5.232   6.899
  500    HD2  PHE  61           HD2      PHE  61 113.859   3.678   3.378
  501    HE1  PHE  61           HE1      PHE  61 114.148   6.014   7.744
  502    HE2  PHE  61           HE2      PHE  61 116.055   4.459   4.223
  503    HZ   PHE  61           HZ       PHE  61 116.200   5.628   6.406
  504    H    THR  62           HN       THR  62 111.152   4.260   1.239
  505    HA   THR  62           HA       THR  62 113.791   5.459   0.880
  506    HB   THR  62           HB       THR  62 111.900   4.201  -1.134
  507    HG1  THR  62           HG1      THR  62 114.222   2.954  -0.299
  508   1HG2  THR  62          HG21      THR  62 114.562   3.939  -1.961
  509   2HG2  THR  62          HG22      THR  62 114.428   5.606  -1.400
  510   3HG2  THR  62          HG23      THR  62 113.346   5.009  -2.658
  511    H    LYS  63           HN       LYS  63 110.491   6.129  -0.282
  512    HA   LYS  63           HA       LYS  63 111.339   8.481  -1.783
  513   1HB   LYS  63          HB2       LYS  63 109.152   6.874  -1.915
  514   2HB   LYS  63          HB1       LYS  63 108.497   8.223  -0.987
  515   1HG   LYS  63          HG2       LYS  63 109.509   9.757  -2.761
  516   2HG   LYS  63          HG1       LYS  63 109.774   8.305  -3.726
  517   1HD   LYS  63          HD2       LYS  63 107.352   7.780  -3.568
  518   2HD   LYS  63          HD1       LYS  63 107.104   9.276  -2.667
  519   1HE   LYS  63          HE2       LYS  63 107.745  10.621  -4.536
  520   2HE   LYS  63          HE1       LYS  63 108.374   9.224  -5.411
  521   1HZ   LYS  63          HZ1       LYS  63 105.773   8.589  -4.823
  522   2HZ   LYS  63          HZ2       LYS  63 106.381   9.067  -6.336
  523   3HZ   LYS  63          HZ3       LYS  63 105.711  10.220  -5.283
  524    H    LYS  64           HN       LYS  64 110.252   7.811   1.469
  525    HA   LYS  64           HA       LYS  64 109.612  10.597   2.080
  526   1HB   LYS  64          HB2       LYS  64 109.614   8.006   3.517
  527   2HB   LYS  64          HB1       LYS  64 109.949   9.422   4.514
  528   1HG   LYS  64          HG2       LYS  64 107.860  10.336   4.170
  529   2HG   LYS  64          HG1       LYS  64 107.690   9.608   2.572
  530   1HD   LYS  64          HD2       LYS  64 106.593   7.838   3.428
  531   2HD   LYS  64          HD1       LYS  64 107.881   7.549   4.599
  532   1HE   LYS  64          HE2       LYS  64 105.998   9.832   5.072
  533   2HE   LYS  64          HE1       LYS  64 105.446   8.193   5.418
  534   1HZ   LYS  64          HZ1       LYS  64 106.651   8.165   7.258
  535   2HZ   LYS  64          HZ2       LYS  64 107.046   9.798   7.004
  536   3HZ   LYS  64          HZ3       LYS  64 108.064   8.572   6.413
  537    H    MET  65           HN       MET  65 112.333   8.387   2.707
  538    HA   MET  65           HA       MET  65 113.847  10.357   4.200
  539   1HB   MET  65          HB2       MET  65 114.227   7.929   4.462
  540   2HB   MET  65          HB1       MET  65 114.787   7.841   2.792
  541   1HG   MET  65          HG2       MET  65 116.831   8.129   3.795
  542   2HG   MET  65          HG1       MET  65 116.378   9.828   3.669
  543   1HE   MET  65          HE1       MET  65 117.973   7.515   5.481
  544   2HE   MET  65          HE2       MET  65 117.925   7.998   7.174
  545   3HE   MET  65          HE3       MET  65 118.556   9.114   5.966
  546    H    VAL  66           HN       VAL  66 113.517   9.552   0.805
  547    HA   VAL  66           HA       VAL  66 115.893  11.125   0.061
  548    HB   VAL  66           HB       VAL  66 115.313  10.529  -2.234
  549   1HG1  VAL  66          HG11      VAL  66 114.867   7.914  -1.642
  550   2HG1  VAL  66          HG12      VAL  66 115.405   8.505  -0.069
  551   3HG1  VAL  66          HG13      VAL  66 116.443   8.690  -1.483
  552   1HG2  VAL  66          HG21      VAL  66 112.712   9.771  -0.927
  553   2HG2  VAL  66          HG22      VAL  66 113.220   8.943  -2.399
  554   3HG2  VAL  66          HG23      VAL  66 112.984  10.691  -2.407
  555    H    GLU  67           HN       GLU  67 112.383  11.501   0.122
  556    HA   GLU  67           HA       GLU  67 112.392  13.975  -1.402
  557   1HB   GLU  67          HB2       GLU  67 110.384  12.438   0.196
  558   2HB   GLU  67          HB1       GLU  67 110.052  14.137  -0.146
  559   1HG   GLU  67          HG2       GLU  67 111.021  12.540  -2.446
  560   2HG   GLU  67          HG1       GLU  67 109.414  12.121  -1.851
  561    H    ASN  68           HN       ASN  68 112.665  13.121   1.996
  562    HA   ASN  68           HA       ASN  68 112.447  15.951   2.816
  563   1HB   ASN  68          HB2       ASN  68 113.221  13.633   4.590
  564   2HB   ASN  68          HB1       ASN  68 112.448  15.151   5.048
  565   1HD2  ASN  68          HD21      ASN  68 110.644  14.923   2.571
  566   2HD2  ASN  68          HD22      ASN  68 109.467  13.786   3.018
  567    H    ALA  69           HN       ALA  69 114.894  13.343   2.931
  568    HA   ALA  69           HA       ALA  69 117.032  14.755   4.036
  569   1HB   ALA  69          HB1       ALA  69 117.333  12.433   3.540
  570   2HB   ALA  69          HB2       ALA  69 118.492  13.299   2.531
  571   3HB   ALA  69          HB3       ALA  69 116.995  12.687   1.828
  572    H    LYS  70           HN       LYS  70 117.166  16.930   3.410
  573    HA   LYS  70           HA       LYS  70 117.067  17.799   0.663
  574   1HB   LYS  70          HB2       LYS  70 118.498  19.303   2.851
  575   2HB   LYS  70          HB1       LYS  70 117.581  19.947   1.489
  576   1HG   LYS  70          HG2       LYS  70 115.591  18.611   2.624
  577   2HG   LYS  70          HG1       LYS  70 116.586  18.798   4.068
  578   1HD   LYS  70          HD2       LYS  70 116.368  21.259   2.481
  579   2HD   LYS  70          HD1       LYS  70 114.821  20.690   3.109
  580   1HE   LYS  70          HE2       LYS  70 115.412  21.068   5.285
  581   2HE   LYS  70          HE1       LYS  70 117.092  20.604   5.014
  582   1HZ   LYS  70          HZ1       LYS  70 116.017  23.090   3.852
  583   2HZ   LYS  70          HZ2       LYS  70 117.628  22.685   4.206
  584   3HZ   LYS  70          HZ3       LYS  70 116.546  23.056   5.463
  585    H    LYS  71           HN       LYS  71 119.671  16.806   2.829
  586    HA   LYS  71           HA       LYS  71 121.680  17.428   0.733
  587   1HB   LYS  71          HB2       LYS  71 122.296  16.194   3.411
  588   2HB   LYS  71          HB1       LYS  71 123.319  17.221   2.406
  589   1HG   LYS  71          HG2       LYS  71 121.528  19.047   2.787
  590   2HG   LYS  71          HG1       LYS  71 120.955  18.019   4.101
  591   1HD   LYS  71          HD2       LYS  71 122.501  19.495   5.131
  592   2HD   LYS  71          HD1       LYS  71 123.399  17.992   4.912
  593   1HE   LYS  71          HE2       LYS  71 124.185  18.975   2.674
  594   2HE   LYS  71          HE1       LYS  71 123.566  20.518   3.263
  595   1HZ   LYS  71          HZ1       LYS  71 125.201  20.700   4.776
  596   2HZ   LYS  71          HZ2       LYS  71 126.033  19.651   3.730
  597   3HZ   LYS  71          HZ3       LYS  71 125.249  19.038   5.107
  598    H    ILE  72           HN       ILE  72 121.065  15.750  -0.763
  599    HA   ILE  72           HA       ILE  72 121.419  12.959   0.214
  600    HB   ILE  72           HB       ILE  72 120.319  14.039  -2.400
  601   1HG1  ILE  72          HG12      ILE  72 118.732  12.420  -0.457
  602   2HG1  ILE  72          HG11      ILE  72 119.072  14.096  -0.024
  603   1HG2  ILE  72          HG21      ILE  72 120.016  11.197  -1.512
  604   2HG2  ILE  72          HG22      ILE  72 121.552  11.685  -2.229
  605   3HG2  ILE  72          HG23      ILE  72 120.055  11.862  -3.145
  606   1HD1  ILE  72          HD11      ILE  72 117.620  13.065  -2.466
  607   2HD1  ILE  72          HD12      ILE  72 118.244  14.712  -2.369
  608   3HD1  ILE  72          HD13      ILE  72 117.017  14.165  -1.226
  609    H    GLU  73           HN       GLU  73 123.477  12.220   0.035
  610    HA   GLU  73           HA       GLU  73 125.096  13.154  -2.301
  611   1HB   GLU  73          HB2       GLU  73 126.086  12.103   0.366
  612   2HB   GLU  73          HB1       GLU  73 127.079  12.759  -0.936
  613   1HG   GLU  73          HG2       GLU  73 125.613  14.886  -0.698
  614   2HG   GLU  73          HG1       GLU  73 125.144  14.210   0.863
  615    H    VAL  74           HN       VAL  74 126.316  11.571  -3.437
  616    HA   VAL  74           HA       VAL  74 125.534   8.744  -2.841
  617    HB   VAL  74           HB       VAL  74 125.880   8.425  -5.367
  618   1HG1  VAL  74          HG11      VAL  74 123.606   9.089  -5.849
  619   2HG1  VAL  74          HG12      VAL  74 123.624  10.274  -4.543
  620   3HG1  VAL  74          HG13      VAL  74 123.659   8.550  -4.170
  621   1HG2  VAL  74          HG21      VAL  74 125.802  10.367  -6.766
  622   2HG2  VAL  74          HG22      VAL  74 127.045  10.694  -5.559
  623   3HG2  VAL  74          HG23      VAL  74 125.447  11.421  -5.397
  624    H    GLU  75           HN       GLU  75 127.192   7.179  -3.054
  625    HA   GLU  75           HA       GLU  75 129.916   8.218  -3.686
  626   1HB   GLU  75          HB2       GLU  75 129.514   8.170  -1.193
  627   2HB   GLU  75          HB1       GLU  75 129.301   6.424  -1.322
  628   1HG   GLU  75          HG2       GLU  75 131.634   6.677  -2.654
  629   2HG   GLU  75          HG1       GLU  75 131.778   8.051  -1.556
  630    H    PHE  76           HN       PHE  76 130.331   7.028  -5.517
  631    HA   PHE  76           HA       PHE  76 129.357   4.318  -5.877
  632   1HB   PHE  76          HB2       PHE  76 131.289   6.085  -7.377
  633   2HB   PHE  76          HB1       PHE  76 131.074   4.392  -7.822
  634    HD1  PHE  76           HD1      PHE  76 129.595   7.725  -7.836
  635    HD2  PHE  76           HD2      PHE  76 128.831   3.556  -8.536
  636    HE1  PHE  76           HE1      PHE  76 127.527   8.312  -9.073
  637    HE2  PHE  76           HE2      PHE  76 126.762   4.143  -9.772
  638    HZ   PHE  76           HZ       PHE  76 126.111   6.521 -10.041
  639    H    ASP  77           HN       ASP  77 130.499   2.383  -5.607
  640    HA   ASP  77           HA       ASP  77 132.806   2.516  -3.794
  641   1HB   ASP  77          HB2       ASP  77 130.783   0.781  -3.886
  642   2HB   ASP  77          HB1       ASP  77 131.872  -0.061  -4.989
  643    H    LYS  78           HN       LYS  78 134.835   1.375  -4.286
  644    HA   LYS  78           HA       LYS  78 135.986   2.107  -6.761
  645   1HB   LYS  78          HB2       LYS  78 137.818   0.541  -6.160
  646   2HB   LYS  78          HB1       LYS  78 137.343   1.548  -4.792
  647   1HG   LYS  78          HG2       LYS  78 135.806  -0.339  -4.073
  648   2HG   LYS  78          HG1       LYS  78 136.582  -1.337  -5.303
  649   1HD   LYS  78          HD2       LYS  78 137.870  -1.834  -3.421
  650   2HD   LYS  78          HD1       LYS  78 138.804  -0.530  -4.154
  651   1HE   LYS  78          HE2       LYS  78 136.834   0.690  -2.512
  652   2HE   LYS  78          HE1       LYS  78 137.568  -0.601  -1.561
  653   1HZ   LYS  78          HZ1       LYS  78 138.955   1.629  -2.938
  654   2HZ   LYS  78          HZ2       LYS  78 139.764   0.297  -2.261
  655   3HZ   LYS  78          HZ3       LYS  78 138.869   1.345  -1.268
  656    H    GLY  79           HN       GLY  79 133.903  -0.524  -6.001
  657   1HA   GLY  79          HA2       GLY  79 134.746  -2.397  -8.000
  658   2HA   GLY  79          HA1       GLY  79 133.132  -2.328  -7.289
  659    H    GLN  80           HN       GLN  80 132.440  -2.833  -9.555
  660    HA   GLN  80           HA       GLN  80 132.864  -1.145 -11.776
  661   1HB   GLN  80          HB2       GLN  80 130.532  -2.875 -10.950
  662   2HB   GLN  80          HB1       GLN  80 130.495  -1.944 -12.447
  663   1HG   GLN  80          HG2       GLN  80 132.122  -3.224 -13.450
  664   2HG   GLN  80          HG1       GLN  80 132.936  -3.572 -11.925
  665   1HE2  GLN  80          HE21      GLN  80 129.535  -4.119 -13.014
  666   2HE2  GLN  80          HE22      GLN  80 129.532  -5.776 -12.644
  667    H    ARG  81           HN       ARG  81 130.693   0.065 -12.699
  668    HA   ARG  81           HA       ARG  81 129.861   1.960 -10.536
  669   1HB   ARG  81          HB2       ARG  81 131.517   2.814 -12.333
  670   2HB   ARG  81          HB1       ARG  81 130.143   2.743 -13.438
  671   1HG   ARG  81          HG2       ARG  81 128.946   4.381 -12.259
  672   2HG   ARG  81          HG1       ARG  81 129.881   4.138 -10.784
  673   1HD   ARG  81          HD2       ARG  81 130.872   5.405 -13.354
  674   2HD   ARG  81          HD1       ARG  81 130.572   6.231 -11.825
  675    HE   ARG  81           HE       ARG  81 132.919   4.618 -12.470
  676   1HH1  ARG  81          HH11      ARG  81 132.771   7.139 -10.752
  677   2HH1  ARG  81          HH12      ARG  81 133.111   6.491  -9.182
  678   1HH2  ARG  81          HH21      ARG  81 132.528   3.204 -10.121
  679   2HH2  ARG  81          HH22      ARG  81 132.973   4.263  -8.825
  680    H    THR  82           HN       THR  82 128.962   0.326 -13.549
  681    HA   THR  82           HA       THR  82 126.105   0.797 -12.809
  682    HB   THR  82           HB       THR  82 125.548   1.011 -15.183
  683    HG1  THR  82           HG1      THR  82 126.933   0.052 -16.432
  684   1HG2  THR  82          HG21      THR  82 127.778   2.797 -14.195
  685   2HG2  THR  82          HG22      THR  82 126.041   3.096 -14.118
  686   3HG2  THR  82          HG23      THR  82 126.874   3.127 -15.673
  687    H    ASP  83           HN       ASP  83 124.845  -1.036 -12.859
  688    HA   ASP  83           HA       ASP  83 126.137  -3.607 -13.088
  689   1HB   ASP  83          HB2       ASP  83 123.665  -2.601 -12.113
  690   2HB   ASP  83          HB1       ASP  83 123.279  -3.832 -13.316
  691    H    LYS  84           HN       LYS  84 124.068  -5.053 -14.494
  692    HA   LYS  84           HA       LYS  84 124.974  -4.502 -17.246
  693   1HB   LYS  84          HB2       LYS  84 123.558  -6.766 -15.871
  694   2HB   LYS  84          HB1       LYS  84 123.463  -6.626 -17.627
  695   1HG   LYS  84          HG2       LYS  84 126.180  -6.188 -16.858
  696   2HG   LYS  84          HG1       LYS  84 125.618  -7.657 -16.058
  697   1HD   LYS  84          HD2       LYS  84 124.802  -7.377 -18.889
  698   2HD   LYS  84          HD1       LYS  84 126.533  -7.591 -18.624
  699   1HE   LYS  84          HE2       LYS  84 126.100  -9.605 -17.287
  700   2HE   LYS  84          HE1       LYS  84 124.362  -9.384 -17.495
  701   1HZ   LYS  84          HZ1       LYS  84 124.981 -10.918 -19.124
  702   2HZ   LYS  84          HZ2       LYS  84 126.384 -10.057 -19.546
  703   3HZ   LYS  84          HZ3       LYS  84 124.853  -9.450 -19.964
  704    H    TYR  85           HN       TYR  85 122.271  -3.795 -15.264
  705    HA   TYR  85           HA       TYR  85 120.513  -3.401 -17.635
  706   1HB   TYR  85          HB2       TYR  85 120.020  -3.585 -14.671
  707   2HB   TYR  85          HB1       TYR  85 118.828  -2.822 -15.724
  708    HD1  TYR  85           HD1      TYR  85 120.958  -5.910 -15.573
  709    HD2  TYR  85           HD2      TYR  85 117.200  -4.167 -16.709
  710    HE1  TYR  85           HE1      TYR  85 120.129  -8.145 -16.258
  711    HE2  TYR  85           HE2      TYR  85 116.371  -6.401 -17.394
  712    HH   TYR  85           HH       TYR  85 117.762  -9.235 -16.484
  713    H    GLY  86           HN       GLY  86 122.839  -1.688 -16.170
  714   1HA   GLY  86          HA2       GLY  86 123.318   0.620 -16.470
  715   2HA   GLY  86          HA1       GLY  86 121.656   0.867 -17.005
  716    H    ARG  87           HN       ARG  87 122.557  -0.744 -13.993
  717    HA   ARG  87           HA       ARG  87 121.014   1.325 -12.530
  718   1HB   ARG  87          HB2       ARG  87 122.211  -1.174 -11.329
  719   2HB   ARG  87          HB1       ARG  87 120.821  -0.243 -10.768
  720   1HG   ARG  87          HG2       ARG  87 120.986  -1.969 -13.251
  721   2HG   ARG  87          HG1       ARG  87 119.967  -2.229 -11.835
  722   1HD   ARG  87          HD2       ARG  87 118.954   0.083 -12.364
  723   2HD   ARG  87          HD1       ARG  87 119.726  -0.080 -13.941
  724    HE   ARG  87           HE       ARG  87 118.382  -2.417 -13.823
  725   1HH1  ARG  87          HH11      ARG  87 117.440   0.458 -14.868
  726   2HH1  ARG  87          HH12      ARG  87 115.783   0.379 -14.371
  727   1HH2  ARG  87          HH21      ARG  87 116.249  -2.394 -12.342
  728   2HH2  ARG  87          HH22      ARG  87 115.109  -1.236 -12.941
  729    H    GLY  88           HN       GLY  88 121.963   2.668 -11.000
  730   1HA   GLY  88          HA2       GLY  88 124.859   2.987 -11.153
  731   2HA   GLY  88          HA1       GLY  88 123.760   3.970 -10.185
  732    H    LEU  89           HN       LEU  89 125.789   1.131 -10.202
  733    HA   LEU  89           HA       LEU  89 124.936   0.109  -7.629
  734   1HB   LEU  89          HB2       LEU  89 127.460  -0.294  -9.257
  735   2HB   LEU  89          HB1       LEU  89 127.144  -1.130  -7.736
  736    HG   LEU  89           HG       LEU  89 125.502  -1.282 -10.277
  737   1HD1  LEU  89          HD11      LEU  89 126.097  -3.830  -9.379
  738   2HD1  LEU  89          HD12      LEU  89 127.563  -2.930  -8.992
  739   3HD1  LEU  89          HD13      LEU  89 126.966  -2.971 -10.651
  740   1HD2  LEU  89          HD21      LEU  89 124.413  -3.126  -8.605
  741   2HD2  LEU  89          HD22      LEU  89 123.774  -1.492  -8.787
  742   3HD2  LEU  89          HD23      LEU  89 124.849  -1.874  -7.442
  743    H    ALA  90           HN       ALA  90 125.046   1.618  -5.977
  744    HA   ALA  90           HA       ALA  90 127.690   2.340  -4.997
  745   1HB   ALA  90          HB1       ALA  90 125.897   4.425  -6.247
  746   2HB   ALA  90          HB2       ALA  90 127.614   4.143  -6.536
  747   3HB   ALA  90          HB3       ALA  90 127.081   4.848  -5.010
  748    H    TYR  91           HN       TYR  91 127.063   4.308  -3.206
  749    HA   TYR  91           HA       TYR  91 124.828   3.087  -1.633
  750   1HB   TYR  91          HB2       TYR  91 127.273   4.517  -0.551
  751   2HB   TYR  91          HB1       TYR  91 126.055   3.650   0.384
  752    HD1  TYR  91           HD1      TYR  91 125.889   1.181   0.259
  753    HD2  TYR  91           HD2      TYR  91 128.988   3.341  -1.785
  754    HE1  TYR  91           HE1      TYR  91 127.154  -0.929  -0.053
  755    HE2  TYR  91           HE2      TYR  91 130.253   1.231  -2.097
  756    HH   TYR  91           HH       TYR  91 129.107  -1.626  -2.015
  757    H    ILE  92           HN       ILE  92 123.362   4.515  -0.644
  758    HA   ILE  92           HA       ILE  92 123.537   7.329  -1.611
  759    HB   ILE  92           HB       ILE  92 121.117   6.024  -0.368
  760   1HG1  ILE  92          HG12      ILE  92 121.845   4.565  -2.199
  761   2HG1  ILE  92          HG11      ILE  92 120.407   5.461  -2.688
  762   1HG2  ILE  92          HG21      ILE  92 120.204   7.705  -2.257
  763   2HG2  ILE  92          HG22      ILE  92 121.749   8.486  -1.924
  764   3HG2  ILE  92          HG23      ILE  92 120.583   8.247  -0.623
  765   1HD1  ILE  92          HD11      ILE  92 123.213   6.408  -3.310
  766   2HD1  ILE  92          HD12      ILE  92 121.698   7.000  -3.993
  767   3HD1  ILE  92          HD13      ILE  92 122.283   5.389  -4.409
  768    H    TYR  93           HN       TYR  93 123.101   9.058  -0.099
  769    HA   TYR  93           HA       TYR  93 123.257   8.279   2.777
  770   1HB   TYR  93          HB2       TYR  93 125.011  10.251   1.299
  771   2HB   TYR  93          HB1       TYR  93 124.830  10.279   3.053
  772    HD1  TYR  93           HD1      TYR  93 125.604   8.384   4.435
  773    HD2  TYR  93           HD2      TYR  93 126.220   8.470   0.185
  774    HE1  TYR  93           HE1      TYR  93 127.270   6.558   4.639
  775    HE2  TYR  93           HE2      TYR  93 127.885   6.643   0.389
  776    HH   TYR  93           HH       TYR  93 128.499   4.877   1.893
  777    H    ALA  94           HN       ALA  94 121.101   8.886   3.156
  778    HA   ALA  94           HA       ALA  94 120.162  11.536   2.284
  779   1HB   ALA  94          HB1       ALA  94 118.312  10.462   4.103
  780   2HB   ALA  94          HB2       ALA  94 118.954   9.070   3.231
  781   3HB   ALA  94          HB3       ALA  94 118.213  10.401   2.343
  782    H    ASP  95           HN       ASP  95 120.742  13.293   3.465
  783    HA   ASP  95           HA       ASP  95 121.175  14.660   5.320
  784   1HB   ASP  95          HB2       ASP  95 119.668  12.443   6.743
  785   2HB   ASP  95          HB1       ASP  95 120.117  13.980   7.482
  786    H    GLY  96           HN       GLY  96 123.188  12.812   4.463
  787   1HA   GLY  96          HA2       GLY  96 125.305  12.136   5.231
  788   2HA   GLY  96          HA1       GLY  96 124.903  12.860   6.788
  789    H    LYS  97           HN       LYS  97 122.517  10.677   5.774
  790    HA   LYS  97           HA       LYS  97 123.635   8.615   7.625
  791   1HB   LYS  97          HB2       LYS  97 120.753   8.923   6.742
  792   2HB   LYS  97          HB1       LYS  97 121.369   7.944   8.075
  793   1HG   LYS  97          HG2       LYS  97 121.966  10.874   8.089
  794   2HG   LYS  97          HG1       LYS  97 120.335  10.356   8.513
  795   1HD   LYS  97          HD2       LYS  97 121.008   9.379  10.467
  796   2HD   LYS  97          HD1       LYS  97 122.536   8.826   9.781
  797   1HE   LYS  97          HE2       LYS  97 123.364  11.187   9.846
  798   2HE   LYS  97          HE1       LYS  97 121.873  11.649  10.667
  799   1HZ   LYS  97          HZ1       LYS  97 123.498   9.442  11.733
  800   2HZ   LYS  97          HZ2       LYS  97 122.438  10.491  12.549
  801   3HZ   LYS  97          HZ3       LYS  97 123.963  11.044  12.042
  802    H    MET  98           HN       MET  98 124.092   6.613   6.803
  803    HA   MET  98           HA       MET  98 124.097   6.160   3.976
  804   1HB   MET  98          HB2       MET  98 125.630   5.002   5.544
  805   2HB   MET  98          HB1       MET  98 124.257   4.124   6.220
  806   1HG   MET  98          HG2       MET  98 125.002   2.585   4.651
  807   2HG   MET  98          HG1       MET  98 123.834   3.486   3.683
  808   1HE   MET  98          HE1       MET  98 127.878   2.543   2.498
  809   2HE   MET  98          HE2       MET  98 126.462   1.661   3.064
  810   3HE   MET  98          HE3       MET  98 127.506   2.476   4.226
  811    H    VAL  99           HN       VAL  99 122.049   6.323   3.050
  812    HA   VAL  99           HA       VAL  99 119.583   5.516   4.003
  813    HB   VAL  99           HB       VAL  99 120.609   5.102   1.178
  814   1HG1  VAL  99          HG11      VAL  99 118.582   4.033   1.059
  815   2HG1  VAL  99          HG12      VAL  99 117.988   5.687   0.920
  816   3HG1  VAL  99          HG13      VAL  99 117.944   4.863   2.479
  817   1HG2  VAL  99          HG21      VAL  99 119.022   7.368   1.242
  818   2HG2  VAL  99          HG22      VAL  99 120.785   7.364   1.241
  819   3HG2  VAL  99          HG23      VAL  99 119.904   7.472   2.765
  820    H    ASN 100           HN       ASN 100 121.998   3.424   2.413
  821    HA   ASN 100           HA       ASN 100 120.432   1.033   2.504
  822   1HB   ASN 100          HB2       ASN 100 123.452   1.219   2.672
  823   2HB   ASN 100          HB1       ASN 100 122.499  -0.138   2.069
  824   1HD2  ASN 100          HD21      ASN 100 123.869   0.267   0.028
  825   2HD2  ASN 100          HD22      ASN 100 123.311   1.431  -1.073
  826    H    GLU 101           HN       GLU 101 122.833   2.359   4.793
  827    HA   GLU 101           HA       GLU 101 122.640   0.169   6.647
  828   1HB   GLU 101          HB2       GLU 101 124.352   2.216   6.438
  829   2HB   GLU 101          HB1       GLU 101 123.270   2.910   7.645
  830   1HG   GLU 101          HG2       GLU 101 123.510   0.632   8.864
  831   2HG   GLU 101          HG1       GLU 101 124.916   0.391   7.827
  832    H    ALA 102           HN       ALA 102 120.484   2.706   5.889
  833    HA   ALA 102           HA       ALA 102 119.224   2.769   8.547
  834   1HB   ALA 102          HB1       ALA 102 118.631   4.089   5.900
  835   2HB   ALA 102          HB2       ALA 102 119.101   4.848   7.420
  836   3HB   ALA 102          HB3       ALA 102 117.486   4.164   7.239
  837    H    LEU 103           HN       LEU 103 118.290   1.727   5.270
  838    HA   LEU 103           HA       LEU 103 115.811   0.534   6.052
  839   1HB   LEU 103          HB2       LEU 103 117.656   0.149   3.695
  840   2HB   LEU 103          HB1       LEU 103 116.203  -0.834   3.885
  841    HG   LEU 103           HG       LEU 103 115.928   2.123   4.202
  842   1HD1  LEU 103          HD11      LEU 103 115.965   2.589   1.900
  843   2HD1  LEU 103          HD12      LEU 103 115.840   0.887   1.458
  844   3HD1  LEU 103          HD13      LEU 103 117.355   1.522   2.100
  845   1HD2  LEU 103          HD21      LEU 103 114.118   0.390   2.581
  846   2HD2  LEU 103          HD22      LEU 103 113.719   1.685   3.711
  847   3HD2  LEU 103          HD23      LEU 103 114.171   0.093   4.319
  848    H    VAL 104           HN       VAL 104 119.125  -0.631   6.113
  849    HA   VAL 104           HA       VAL 104 118.345  -3.408   6.605
  850    HB   VAL 104           HB       VAL 104 121.046  -2.148   7.131
  851   1HG1  VAL 104          HG11      VAL 104 120.245  -4.946   6.282
  852   2HG1  VAL 104          HG12      VAL 104 120.588  -4.474   7.946
  853   3HG1  VAL 104          HG13      VAL 104 121.862  -4.403   6.729
  854   1HG2  VAL 104          HG21      VAL 104 121.557  -2.170   4.888
  855   2HG2  VAL 104          HG22      VAL 104 119.822  -1.891   4.741
  856   3HG2  VAL 104          HG23      VAL 104 120.473  -3.519   4.549
  857    H    ARG 105           HN       ARG 105 119.580  -0.692   8.553
  858    HA   ARG 105           HA       ARG 105 119.570  -2.200  11.028
  859   1HB   ARG 105          HB2       ARG 105 120.956  -0.143  10.616
  860   2HB   ARG 105          HB1       ARG 105 119.471   0.808  10.667
  861   1HG   ARG 105          HG2       ARG 105 119.102   0.345  12.942
  862   2HG   ARG 105          HG1       ARG 105 120.167  -1.060  12.924
  863   1HD   ARG 105          HD2       ARG 105 121.918   0.218  13.522
  864   2HD   ARG 105          HD1       ARG 105 121.663   1.262  12.123
  865    HE   ARG 105           HE       ARG 105 121.191   2.129  14.703
  866   1HH1  ARG 105          HH11      ARG 105 120.333   3.330  11.906
  867   2HH1  ARG 105          HH12      ARG 105 118.696   3.754  12.279
  868   1HH2  ARG 105          HH21      ARG 105 118.604   1.899  15.207
  869   2HH2  ARG 105          HH22      ARG 105 117.718   2.945  14.149
  870    H    GLN 106           HN       GLN 106 117.092  -0.896   9.124
  871    HA   GLN 106           HA       GLN 106 115.292  -0.403  11.426
  872   1HB   GLN 106          HB2       GLN 106 115.264   0.213   8.518
  873   2HB   GLN 106          HB1       GLN 106 113.696  -0.103   9.261
  874   1HG   GLN 106          HG2       GLN 106 115.650   1.766  10.583
  875   2HG   GLN 106          HG1       GLN 106 114.613   2.340   9.278
  876   1HE2  GLN 106          HE21      GLN 106 112.197   1.093   9.742
  877   2HE2  GLN 106          HE22      GLN 106 111.595   1.499  11.276
  878    H    GLY 107           HN       GLY 107 116.181  -2.941   9.322
  879   1HA   GLY 107          HA2       GLY 107 115.423  -5.192   9.447
  880   2HA   GLY 107          HA1       GLY 107 114.092  -4.657  10.473
  881    H    LEU 108           HN       LEU 108 114.879  -3.198   7.360
  882    HA   LEU 108           HA       LEU 108 112.334  -4.355   6.289
  883   1HB   LEU 108          HB2       LEU 108 113.479  -1.633   5.609
  884   2HB   LEU 108          HB1       LEU 108 111.900  -2.273   5.151
  885    HG   LEU 108           HG       LEU 108 112.740  -1.928   8.036
  886   1HD1  LEU 108          HD11      LEU 108 112.707   0.302   7.463
  887   2HD1  LEU 108          HD12      LEU 108 110.973   0.061   7.679
  888   3HD1  LEU 108          HD13      LEU 108 111.672   0.034   6.060
  889   1HD2  LEU 108          HD21      LEU 108 110.890  -3.318   8.068
  890   2HD2  LEU 108          HD22      LEU 108 110.260  -2.687   6.546
  891   3HD2  LEU 108          HD23      LEU 108 110.074  -1.755   8.031
  892    H    ALA 109           HN       ALA 109 115.585  -4.532   5.994
  893    HA   ALA 109           HA       ALA 109 115.395  -5.567   3.263
  894   1HB   ALA 109          HB1       ALA 109 116.170  -3.755   2.180
  895   2HB   ALA 109          HB2       ALA 109 117.636  -3.812   3.158
  896   3HB   ALA 109          HB3       ALA 109 116.251  -2.865   3.700
  897    H    LYS 110           HN       LYS 110 117.119  -6.985   2.798
  898    HA   LYS 110           HA       LYS 110 118.940  -7.505   5.109
  899   1HB   LYS 110          HB2       LYS 110 118.095  -9.367   2.866
  900   2HB   LYS 110          HB1       LYS 110 119.107  -9.800   4.245
  901   1HG   LYS 110          HG2       LYS 110 117.286 -10.172   5.511
  902   2HG   LYS 110          HG1       LYS 110 116.700  -8.538   5.194
  903   1HD   LYS 110          HD2       LYS 110 116.231  -9.874   2.799
  904   2HD   LYS 110          HD1       LYS 110 115.833 -11.074   4.030
  905   1HE   LYS 110          HE2       LYS 110 113.931  -9.991   4.555
  906   2HE   LYS 110          HE1       LYS 110 114.809  -8.480   4.799
  907   1HZ   LYS 110          HZ1       LYS 110 113.049  -8.932   2.815
  908   2HZ   LYS 110          HZ2       LYS 110 114.524  -9.254   2.036
  909   3HZ   LYS 110          HZ3       LYS 110 114.261  -7.747   2.776
  910    H    VAL 111           HN       VAL 111 121.175  -8.014   4.619
  911    HA   VAL 111           HA       VAL 111 122.358  -6.346   2.629
  912    HB   VAL 111           HB       VAL 111 123.597  -8.793   3.923
  913   1HG1  VAL 111          HG11      VAL 111 124.651  -6.344   2.518
  914   2HG1  VAL 111          HG12      VAL 111 125.069  -8.036   2.248
  915   3HG1  VAL 111          HG13      VAL 111 125.644  -7.205   3.693
  916   1HG2  VAL 111          HG21      VAL 111 122.940  -6.066   4.954
  917   2HG2  VAL 111          HG22      VAL 111 124.488  -6.766   5.428
  918   3HG2  VAL 111          HG23      VAL 111 122.985  -7.607   5.810
  919    H    ALA 112           HN       ALA 112 122.449  -6.667   0.466
  920    HA   ALA 112           HA       ALA 112 121.491  -9.073  -0.774
  921   1HB   ALA 112          HB1       ALA 112 121.953  -6.507  -1.626
  922   2HB   ALA 112          HB2       ALA 112 121.608  -7.865  -2.696
  923   3HB   ALA 112          HB3       ALA 112 123.277  -7.379  -2.398
  924    H    TYR 113           HN       TYR 113 122.817 -10.442  -2.265
  925    HA   TYR 113           HA       TYR 113 124.865 -11.834  -1.036
  926   1HB   TYR 113          HB2       TYR 113 123.920 -11.519  -3.785
  927   2HB   TYR 113          HB1       TYR 113 125.645 -11.879  -3.708
  928    HD1  TYR 113           HD1      TYR 113 122.262 -13.078  -2.821
  929    HD2  TYR 113           HD2      TYR 113 126.459 -13.995  -2.857
  930    HE1  TYR 113           HE1      TYR 113 121.748 -15.454  -2.326
  931    HE2  TYR 113           HE2      TYR 113 125.944 -16.370  -2.362
  932    HH   TYR 113           HH       TYR 113 123.814 -17.915  -2.785
  933    H    VAL 114           HN       VAL 114 127.143 -11.684  -0.978
  934    HA   VAL 114           HA       VAL 114 128.198  -8.956  -1.547
  935    HB   VAL 114           HB       VAL 114 129.265 -11.204   0.188
  936   1HG1  VAL 114          HG11      VAL 114 130.814  -9.233   0.929
  937   2HG1  VAL 114          HG12      VAL 114 130.406  -8.544  -0.642
  938   3HG1  VAL 114          HG13      VAL 114 131.207 -10.112  -0.548
  939   1HG2  VAL 114          HG21      VAL 114 128.774  -9.604   2.020
  940   2HG2  VAL 114          HG22      VAL 114 127.315 -10.022   1.121
  941   3HG2  VAL 114          HG23      VAL 114 128.110  -8.472   0.842
  942    H    TYR 115           HN       TYR 115 129.352  -8.752  -3.403
  943    HA   TYR 115           HA       TYR 115 130.956 -11.105  -4.309
  944   1HB   TYR 115          HB2       TYR 115 129.082  -9.350  -5.884
  945   2HB   TYR 115          HB1       TYR 115 130.432 -10.159  -6.680
  946    HD1  TYR 115           HD1      TYR 115 127.080 -10.518  -5.477
  947    HD2  TYR 115           HD2      TYR 115 130.687 -12.710  -6.273
  948    HE1  TYR 115           HE1      TYR 115 125.784 -12.632  -5.531
  949    HE2  TYR 115           HE2      TYR 115 129.391 -14.823  -6.328
  950    HH   TYR 115           HH       TYR 115 126.334 -15.135  -5.119
  951    H    LYS 116           HN       LYS 116 133.063 -10.543  -4.288
  952    HA   LYS 116           HA       LYS 116 134.054  -7.911  -3.932
  953   1HB   LYS 116          HB2       LYS 116 135.590 -10.097  -5.346
  954   2HB   LYS 116          HB1       LYS 116 136.215  -8.841  -4.277
  955   1HG   LYS 116          HG2       LYS 116 134.555  -9.976  -2.538
  956   2HG   LYS 116          HG1       LYS 116 134.785 -11.375  -3.587
  957   1HD   LYS 116          HD2       LYS 116 136.895 -11.708  -2.846
  958   2HD   LYS 116          HD1       LYS 116 137.296  -9.996  -2.991
  959   1HE   LYS 116          HE2       LYS 116 135.635  -9.882  -0.865
  960   2HE   LYS 116          HE1       LYS 116 136.279 -11.509  -0.644
  961   1HZ   LYS 116          HZ1       LYS 116 138.243  -9.499  -1.324
  962   2HZ   LYS 116          HZ2       LYS 116 138.306 -10.732  -0.157
  963   3HZ   LYS 116          HZ3       LYS 116 137.500  -9.276   0.184
  964    HA   PRO 117           HA       PRO 117 136.019  -7.015  -4.486
  965   1HB   PRO 117          HB2       PRO 117 136.604  -4.464  -5.260
  966   2HB   PRO 117          HB1       PRO 117 137.433  -5.884  -5.919
  967   1HG   PRO 117          HG2       PRO 117 135.382  -4.146  -7.189
  968   2HG   PRO 117          HG1       PRO 117 136.664  -5.109  -7.940
  969   1HD   PRO 117          HD2       PRO 117 133.923  -5.808  -7.773
  970   2HD   PRO 117          HD1       PRO 117 135.256  -6.877  -8.262
  971    H    ASN 118           HN       ASN 118 133.047  -5.709  -5.546
  972    HA   ASN 118           HA       ASN 118 132.646  -3.495  -3.843
  973   1HB   ASN 118          HB2       ASN 118 130.888  -5.484  -5.181
  974   2HB   ASN 118          HB1       ASN 118 130.174  -4.584  -3.842
  975   1HD2  ASN 118          HD21      ASN 118 130.607  -4.443  -7.151
  976   2HD2  ASN 118          HD22      ASN 118 130.511  -2.762  -7.367
  977    H    ASN 119           HN       ASN 119 133.546  -3.820  -1.778
  978    HA   ASN 119           HA       ASN 119 131.863  -5.312   0.091
  979   1HB   ASN 119          HB2       ASN 119 134.129  -6.603  -1.032
  980   2HB   ASN 119          HB1       ASN 119 134.552  -6.180   0.627
  981   1HD2  ASN 119          HD21      ASN 119 134.196  -8.901  -0.035
  982   2HD2  ASN 119          HD22      ASN 119 132.765  -9.473   0.697
  983    H    THR 120           HN       THR 120 132.644  -2.544  -0.273
  984    HA   THR 120           HA       THR 120 134.696  -1.888   1.679
  985    HB   THR 120           HB       THR 120 132.568   0.029   0.756
  986    HG1  THR 120           HG1      THR 120 134.840  -0.849  -0.696
  987   1HG2  THR 120          HG21      THR 120 134.818   0.291   2.329
  988   2HG2  THR 120          HG22      THR 120 134.026   1.609   1.466
  989   3HG2  THR 120          HG23      THR 120 135.405   0.783   0.741
  990    H    HIS 121           HN       HIS 121 131.264  -0.926   1.704
  991    HA   HIS 121           HA       HIS 121 131.315  -0.897   4.647
  992   1HB   HIS 121          HB2       HIS 121 129.224  -0.163   2.586
  993   2HB   HIS 121          HB1       HIS 121 128.890  -0.156   4.318
  994    HD1  HIS 121           HD1      HIS 121 129.947   1.709   5.736
  995    HD2  HIS 121           HD2      HIS 121 131.100   1.844   1.732
  996    HE1  HIS 121           HE1      HIS 121 131.135   3.921   5.407
  997    H    GLU 122           HN       GLU 122 131.762  -3.467   3.915
  998    HA   GLU 122           HA       GLU 122 129.195  -4.915   3.783
  999   1HB   GLU 122          HB2       GLU 122 131.345  -5.629   2.579
 1000   2HB   GLU 122          HB1       GLU 122 131.942  -6.122   4.164
 1001   1HG   GLU 122          HG2       GLU 122 129.237  -7.054   3.253
 1002   2HG   GLU 122          HG1       GLU 122 130.683  -7.868   2.654
 1003    H    GLN 123           HN       GLN 123 132.041  -5.181   5.949
 1004    HA   GLN 123           HA       GLN 123 130.804  -6.578   8.031
 1005   1HB   GLN 123          HB2       GLN 123 132.987  -4.492   8.048
 1006   2HB   GLN 123          HB1       GLN 123 132.461  -5.285   9.533
 1007   1HG   GLN 123          HG2       GLN 123 133.890  -6.952   9.013
 1008   2HG   GLN 123          HG1       GLN 123 132.771  -7.382   7.718
 1009   1HE2  GLN 123          HE21      GLN 123 135.920  -6.085   8.403
 1010   2HE2  GLN 123          HE22      GLN 123 136.356  -5.739   6.799
 1011    H    LEU 124           HN       LEU 124 130.652  -3.126   7.295
 1012    HA   LEU 124           HA       LEU 124 129.370  -2.313   9.730
 1013   1HB   LEU 124          HB2       LEU 124 130.392  -0.694   8.184
 1014   2HB   LEU 124          HB1       LEU 124 129.198  -1.105   6.952
 1015    HG   LEU 124           HG       LEU 124 127.743  -0.514   9.309
 1016   1HD1  LEU 124          HD11      LEU 124 129.900   0.611  10.023
 1017   2HD1  LEU 124          HD12      LEU 124 128.503   1.683   9.931
 1018   3HD1  LEU 124          HD13      LEU 124 129.708   1.693   8.643
 1019   1HD2  LEU 124          HD21      LEU 124 128.177   0.690   6.600
 1020   2HD2  LEU 124          HD22      LEU 124 127.280   1.626   7.797
 1021   3HD2  LEU 124          HD23      LEU 124 126.701   0.033   7.308
 1022    H    LEU 125           HN       LEU 125 128.093  -3.413   6.595
 1023    HA   LEU 125           HA       LEU 125 125.324  -3.018   7.302
 1024   1HB   LEU 125          HB2       LEU 125 126.772  -4.581   5.178
 1025   2HB   LEU 125          HB1       LEU 125 125.038  -4.809   5.409
 1026    HG   LEU 125           HG       LEU 125 126.411  -2.152   4.901
 1027   1HD1  LEU 125          HD11      LEU 125 126.317  -3.694   2.935
 1028   2HD1  LEU 125          HD12      LEU 125 125.331  -2.248   2.716
 1029   3HD1  LEU 125          HD13      LEU 125 124.566  -3.783   3.129
 1030   1HD2  LEU 125          HD21      LEU 125 123.855  -1.600   4.491
 1031   2HD2  LEU 125          HD22      LEU 125 124.516  -1.571   6.126
 1032   3HD2  LEU 125          HD23      LEU 125 123.601  -2.972   5.569
 1033    H    ARG 126           HN       ARG 126 127.655  -5.527   7.951
 1034    HA   ARG 126           HA       ARG 126 125.719  -7.588   8.604
 1035   1HB   ARG 126          HB2       ARG 126 128.466  -7.511   8.240
 1036   2HB   ARG 126          HB1       ARG 126 128.302  -7.769   9.978
 1037   1HG   ARG 126          HG2       ARG 126 128.023  -9.954   9.438
 1038   2HG   ARG 126          HG1       ARG 126 126.394  -9.474   8.959
 1039   1HD   ARG 126          HD2       ARG 126 127.177  -9.070   6.661
 1040   2HD   ARG 126          HD1       ARG 126 128.815  -9.521   7.132
 1041    HE   ARG 126           HE       ARG 126 126.525 -11.383   6.846
 1042   1HH1  ARG 126          HH11      ARG 126 129.309 -11.484   5.512
 1043   2HH1  ARG 126          HH12      ARG 126 130.019 -12.810   6.371
 1044   1HH2  ARG 126          HH21      ARG 126 127.649 -12.785   8.902
 1045   2HH2  ARG 126          HH22      ARG 126 129.079 -13.546   8.290
 1046    H    LYS 127           HN       LYS 127 127.369  -5.032  10.397
 1047    HA   LYS 127           HA       LYS 127 126.545  -5.956  13.013
 1048   1HB   LYS 127          HB2       LYS 127 127.946  -3.649  11.880
 1049   2HB   LYS 127          HB1       LYS 127 126.888  -3.206  13.220
 1050   1HG   LYS 127          HG2       LYS 127 128.119  -4.373  14.757
 1051   2HG   LYS 127          HG1       LYS 127 128.529  -5.650  13.610
 1052   1HD   LYS 127          HD2       LYS 127 130.507  -4.679  13.153
 1053   2HD   LYS 127          HD1       LYS 127 129.712  -3.152  12.767
 1054   1HE   LYS 127          HE2       LYS 127 130.719  -2.340  14.625
 1055   2HE   LYS 127          HE1       LYS 127 129.521  -3.267  15.528
 1056   1HZ   LYS 127          HZ1       LYS 127 131.182  -4.456  16.344
 1057   2HZ   LYS 127          HZ2       LYS 127 132.313  -3.672  15.347
 1058   3HZ   LYS 127          HZ3       LYS 127 131.497  -5.054  14.788
 1059    H    SER 128           HN       SER 128 125.248  -3.554  10.718
 1060    HA   SER 128           HA       SER 128 123.080  -2.694  12.381
 1061   1HB   SER 128          HB2       SER 128 123.727  -2.549   9.469
 1062   2HB   SER 128          HB1       SER 128 122.062  -2.243   9.955
 1063    HG   SER 128           HG       SER 128 124.398  -0.816  10.499
 1064    H    GLU 129           HN       GLU 129 123.336  -5.278   9.943
 1065    HA   GLU 129           HA       GLU 129 120.584  -6.045   9.992
 1066   1HB   GLU 129          HB2       GLU 129 122.047  -6.865   8.236
 1067   2HB   GLU 129          HB1       GLU 129 123.081  -7.669   9.418
 1068   1HG   GLU 129          HG2       GLU 129 121.561  -9.369   9.801
 1069   2HG   GLU 129          HG1       GLU 129 120.171  -8.357   9.405
 1070    H    ALA 130           HN       ALA 130 123.337  -6.956  12.028
 1071    HA   ALA 130           HA       ALA 130 121.942  -9.037  13.459
 1072   1HB   ALA 130          HB1       ALA 130 124.512  -8.465  13.330
 1073   2HB   ALA 130          HB2       ALA 130 123.842  -9.169  14.802
 1074   3HB   ALA 130          HB3       ALA 130 124.148  -7.434  14.713
 1075    H    GLN 131           HN       GLN 131 122.292  -5.547  13.921
 1076    HA   GLN 131           HA       GLN 131 121.176  -5.438  16.560
 1077   1HB   GLN 131          HB2       GLN 131 122.263  -3.597  14.822
 1078   2HB   GLN 131          HB1       GLN 131 120.557  -3.147  14.822
 1079   1HG   GLN 131          HG2       GLN 131 121.708  -3.767  17.480
 1080   2HG   GLN 131          HG1       GLN 131 122.324  -2.306  16.708
 1081   1HE2  GLN 131          HE21      GLN 131 120.261  -1.089  15.515
 1082   2HE2  GLN 131          HE22      GLN 131 118.952  -0.837  16.567
 1083    H    ALA 132           HN       ALA 132 119.669  -4.980  13.347
 1084    HA   ALA 132           HA       ALA 132 117.017  -4.575  14.275
 1085   1HB   ALA 132          HB1       ALA 132 118.308  -4.930  11.773
 1086   2HB   ALA 132          HB2       ALA 132 116.648  -4.408  12.058
 1087   3HB   ALA 132          HB3       ALA 132 117.009  -6.120  11.842
 1088    H    LYS 133           HN       LYS 133 118.819  -7.548  13.579
 1089    HA   LYS 133           HA       LYS 133 116.575  -9.309  14.100
 1090   1HB   LYS 133          HB2       LYS 133 119.568  -9.796  14.041
 1091   2HB   LYS 133          HB1       LYS 133 118.367 -11.075  14.224
 1092   1HG   LYS 133          HG2       LYS 133 117.468  -9.584  12.034
 1093   2HG   LYS 133          HG1       LYS 133 119.216  -9.683  11.814
 1094   1HD   LYS 133          HD2       LYS 133 118.233 -12.237  12.698
 1095   2HD   LYS 133          HD1       LYS 133 117.295 -11.706  11.302
 1096   1HE   LYS 133          HE2       LYS 133 119.010 -12.222   9.943
 1097   2HE   LYS 133          HE1       LYS 133 120.043 -11.086  10.811
 1098   1HZ   LYS 133          HZ1       LYS 133 121.008 -12.721  11.969
 1099   2HZ   LYS 133          HZ2       LYS 133 120.430 -13.737  10.737
 1100   3HZ   LYS 133          HZ3       LYS 133 119.561 -13.578  12.188
 1101    H    LYS 134           HN       LYS 134 118.890  -7.632  16.061
 1102    HA   LYS 134           HA       LYS 134 118.453  -9.367  18.400
 1103   1HB   LYS 134          HB2       LYS 134 120.657  -8.249  17.960
 1104   2HB   LYS 134          HB1       LYS 134 119.874  -6.693  18.238
 1105   1HG   LYS 134          HG2       LYS 134 120.964  -7.455  20.297
 1106   2HG   LYS 134          HG1       LYS 134 119.212  -7.456  20.508
 1107   1HD   LYS 134          HD2       LYS 134 119.173  -9.683  20.856
 1108   2HD   LYS 134          HD1       LYS 134 120.148  -9.985  19.417
 1109   1HE   LYS 134          HE2       LYS 134 121.504 -10.761  21.190
 1110   2HE   LYS 134          HE1       LYS 134 122.146  -9.158  20.836
 1111   1HZ   LYS 134          HZ1       LYS 134 120.094  -9.675  22.912
 1112   2HZ   LYS 134          HZ2       LYS 134 120.966  -8.240  22.655
 1113   3HZ   LYS 134          HZ3       LYS 134 121.758  -9.626  23.237
 1114    H    GLU 135           HN       GLU 135 116.892  -6.722  16.926
 1115    HA   GLU 135           HA       GLU 135 115.607  -5.959  19.512
 1116   1HB   GLU 135          HB2       GLU 135 115.932  -4.511  16.879
 1117   2HB   GLU 135          HB1       GLU 135 114.750  -3.992  18.081
 1118   1HG   GLU 135          HG2       GLU 135 117.009  -4.335  19.615
 1119   2HG   GLU 135          HG1       GLU 135 117.680  -3.728  18.101
 1120    H    LYS 136           HN       LYS 136 115.121  -7.758  16.678
 1121    HA   LYS 136           HA       LYS 136 113.211  -8.863  15.866
 1122   1HB   LYS 136          HB2       LYS 136 111.727  -7.786  18.274
 1123   2HB   LYS 136          HB1       LYS 136 111.420  -9.275  17.381
 1124   1HG   LYS 136          HG2       LYS 136 112.991 -10.433  18.539
 1125   2HG   LYS 136          HG1       LYS 136 114.141  -9.098  18.494
 1126   1HD   LYS 136          HD2       LYS 136 113.353  -8.165  20.452
 1127   2HD   LYS 136          HD1       LYS 136 111.719  -8.783  20.212
 1128   1HE   LYS 136          HE2       LYS 136 112.163 -10.694  21.339
 1129   2HE   LYS 136          HE1       LYS 136 113.705 -10.916  20.512
 1130   1HZ   LYS 136          HZ1       LYS 136 114.121 -10.554  22.819
 1131   2HZ   LYS 136          HZ2       LYS 136 113.163  -9.151  22.836
 1132   3HZ   LYS 136          HZ3       LYS 136 114.629  -9.172  21.977
 1133    H    LEU 137           HN       LEU 137 113.716  -6.578  14.640
 1134    HA   LEU 137           HA       LEU 137 111.358  -4.799  14.810
 1135   1HB   LEU 137          HB2       LEU 137 114.034  -4.652  13.442
 1136   2HB   LEU 137          HB1       LEU 137 112.730  -3.562  12.979
 1137    HG   LEU 137           HG       LEU 137 113.573  -3.916  15.858
 1138   1HD1  LEU 137          HD11      LEU 137 114.631  -2.014  13.754
 1139   2HD1  LEU 137          HD12      LEU 137 115.554  -3.131  14.758
 1140   3HD1  LEU 137          HD13      LEU 137 114.796  -1.714  15.484
 1141   1HD2  LEU 137          HD21      LEU 137 112.450  -1.741  16.108
 1142   2HD2  LEU 137          HD22      LEU 137 111.350  -2.912  15.381
 1143   3HD2  LEU 137          HD23      LEU 137 112.131  -1.693  14.375
 1144    H    ASN 138           HN       ASN 138 109.647  -5.120  13.531
 1145    HA   ASN 138           HA       ASN 138 108.311  -5.830  11.756
 1146   1HB   ASN 138          HB2       ASN 138 110.909  -5.235  10.330
 1147   2HB   ASN 138          HB1       ASN 138 109.412  -5.630   9.484
 1148   1HD2  ASN 138          HD21      ASN 138 110.765  -3.290  11.857
 1149   2HD2  ASN 138          HD22      ASN 138 109.706  -2.029  11.445
 1150    H    ILE 139           HN       ILE 139 110.795  -7.189   9.805
 1151    HA   ILE 139           HA       ILE 139 109.598  -9.767   9.810
 1152    HB   ILE 139           HB       ILE 139 111.917 -10.409   8.780
 1153   1HG1  ILE 139          HG12      ILE 139 112.093  -7.418   8.469
 1154   2HG1  ILE 139          HG11      ILE 139 112.883  -8.231   9.820
 1155   1HG2  ILE 139          HG21      ILE 139 110.317  -8.250   7.396
 1156   2HG2  ILE 139          HG22      ILE 139 109.706  -9.891   7.608
 1157   3HG2  ILE 139          HG23      ILE 139 111.166  -9.610   6.660
 1158   1HD1  ILE 139          HD11      ILE 139 114.335  -7.902   7.754
 1159   2HD1  ILE 139          HD12      ILE 139 113.291  -9.067   6.940
 1160   3HD1  ILE 139          HD13      ILE 139 114.232  -9.559   8.348
 1161    H    TRP 140           HN       TRP 140 112.333  -8.481  11.662
 1162    HA   TRP 140           HA       TRP 140 113.101 -11.073  12.710
 1163   1HB   TRP 140          HB2       TRP 140 113.693  -8.351  13.896
 1164   2HB   TRP 140          HB1       TRP 140 114.595  -9.846  14.151
 1165    HD1  TRP 140           HD1      TRP 140 115.263  -6.878  12.514
 1166    HE1  TRP 140           HE1      TRP 140 116.551  -7.156  10.297
 1167    HE3  TRP 140           HE3      TRP 140 114.410 -11.833  11.610
 1168    HZ2  TRP 140           HZ2      TRP 140 117.143  -9.209   8.393
 1169    HZ3  TRP 140           HZ3      TRP 140 115.344 -12.921   9.590
 1170    HH2  TRP 140           HH2      TRP 140 116.708 -11.617   7.982
 1171    H    SER 141           HN       SER 141 110.341  -9.349  13.231
 1172    HA   SER 141           HA       SER 141 110.177  -9.957  16.131
 1173   1HB   SER 141          HB2       SER 141 109.334  -7.760  15.151
 1174   2HB   SER 141          HB1       SER 141 108.051  -8.692  14.383
 1175    HG   SER 141           HG       SER 141 108.232  -7.824  16.909
 1176    H    GLU 142           HN       GLU 142 110.378 -12.325  15.084
 1177    HA   GLU 142           HA       GLU 142 107.619 -13.306  14.483
 1178   1HB   GLU 142          HB2       GLU 142 110.153 -14.904  14.120
 1179   2HB   GLU 142          HB1       GLU 142 108.590 -15.129  13.334
 1180   1HG   GLU 142          HG2       GLU 142 108.925 -12.857  12.255
 1181   2HG   GLU 142          HG1       GLU 142 110.579 -12.895  12.867
 1182    H    ASP 143           HN       ASP 143 110.290 -13.504  16.718
 1183    HA   ASP 143           HA       ASP 143 109.709 -15.922  18.054
 1184   1HB   ASP 143          HB2       ASP 143 111.062 -13.379  18.744
 1185   2HB   ASP 143          HB1       ASP 143 110.477 -14.318  20.118
 1186    H    ASN 144           HN       ASN 144 107.963 -16.556  19.230
 1187    HA   ASN 144           HA       ASN 144 105.922 -14.507  19.913
 1188   1HB   ASN 144          HB2       ASN 144 105.498 -16.829  18.720
 1189   2HB   ASN 144          HB1       ASN 144 105.537 -17.449  20.371
 1190   1HD2  ASN 144          HD21      ASN 144 104.188 -14.419  18.933
 1191   2HD2  ASN 144          HD22      ASN 144 102.639 -14.624  19.598
 1192    H    ALA 145           HN       ALA 145 107.557 -17.291  21.448
 1193    HA   ALA 145           HA       ALA 145 107.596 -15.770  23.997
 1194   1HB   ALA 145          HB1       ALA 145 106.969 -18.574  24.464
 1195   2HB   ALA 145          HB2       ALA 145 105.714 -17.788  23.506
 1196   3HB   ALA 145          HB3       ALA 145 106.160 -17.135  25.083
 1197    H    ASP 146           HN       ASP 146 108.472 -18.894  22.482
 1198    HA   ASP 146           HA       ASP 146 110.406 -20.209  22.796
 1199   1HB   ASP 146          HB2       ASP 146 111.294 -17.397  22.272
 1200   2HB   ASP 146          HB1       ASP 146 112.515 -18.598  22.698
 1201    H    SER 147           HN       SER 147 109.141 -19.616  25.266
 1202    HA   SER 147           HA       SER 147 111.485 -19.100  27.051
 1203   1HB   SER 147          HB2       SER 147 108.774 -18.143  27.102
 1204   2HB   SER 147          HB1       SER 147 109.069 -19.107  28.546
 1205    HG   SER 147           HG       SER 147 110.817 -17.810  29.023
 1206    H    GLY 148           HN       GLY 148 111.910 -21.483  26.399
 1207   1HA   GLY 148          HA2       GLY 148 112.177 -23.448  27.890
 1208   2HA   GLY 148          HA1       GLY 148 110.492 -23.232  28.367
 1209    H    GLN 149           HN       GLN 149 108.843 -23.584  26.653
 1210    HA   GLN 149           HA       GLN 149 109.331 -26.025  25.217
 1211   1HB   GLN 149          HB2       GLN 149 107.097 -23.997  25.207
 1212   2HB   GLN 149          HB1       GLN 149 107.092 -25.360  24.086
 1213   1HG   GLN 149          HG2       GLN 149 107.556 -25.828  27.022
 1214   2HG   GLN 149          HG1       GLN 149 105.915 -25.631  26.406
 1215   1HE2  GLN 149          HE21      GLN 149 108.048 -28.020  27.170
 1216   2HE2  GLN 149          HE22      GLN 149 107.583 -29.205  26.046