*HEADER    DE NOVO PROTEIN, TOXIN                  08-JUN-12   2LU6              
*TITLE     NMR SOLUTION STRUCTURE OF MIDI PEPTIDE DESIGNED BASED ON M-CONOTOXINS 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MIDI PEPTIDE DESIGNED BASED ON M-CONOTOXINS;               
*COMPND   3 CHAIN: 1;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    M-CONOTOXIN, KIIIA, BUIIIC, DE NOVO PROTEIN, TOXIN                    
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    19                                                                    
*AUTHOR    N.DYUBANKOVA, E.LESCRINIER, M.STEVENS, J.TYTGAT, P.HERDEWIJN,         
*AUTHOR   2 S.PEIGNEUR                                                           
*REVDAT   1   27-JUN-12 2LU6    0                                                


 restraints
 dihedral

! dihedrals based on NOE HA-HA (no noe=trans)
       
assign (resid  2 and name   HN)  (resid  2 and name   N)  
       (resid  2 and name   CA)  (resid  2 and name   HA)  1.000  -120  30.0   2

assign (resid  3 and name   HN)  (resid  3 and name   N)  
       (resid  3 and name   CA)  (resid  3 and name   HA)  1.000  -120  30.0   2
       
assign (resid  4 and name   HN)  (resid  4 and name   N)  
       (resid  4 and name   CA)  (resid  4 and name   HA)  1.000  -120  30.0   2
       
assign (resid  5 and name   HN)  (resid  5 and name   N)  
       (resid  5 and name   CA)  (resid  5 and name   HA)  1.000  -120  30.0   2 
       
assign (resid  6 and name   HN)  (resid  6 and name   N)  
       (resid  6 and name   CA)  (resid  6 and name   HA)  1.000  -120  30.0   2
       
assign (resid  7 and name   HN)  (resid  7 and name   N)  
       (resid  7 and name   CA)  (resid  7 and name   HA)  1.000  -120  30.0   2
      
assign (resid  8 and name   HN)  (resid  8 and name   N)  
       (resid  8 and name   CA)  (resid  8 and name   HA)  1.000  -120  30.0   2 

assign (resid  9 and name   HN)  (resid  9 and name   N)  
       (resid  9 and name   CA)  (resid  9 and name   HA)  1.000  -120  30.0   2
       
assign (resid  10 and name   HN)  (resid  10 and name   N)  
       (resid  10 and name   CA)  (resid  10 and name   HA)  1.000  -120  30.0   2

assign (resid  11 and name   HN)  (resid  11 and name   N)  
       (resid  11 and name   CA)  (resid  11 and name   HA)  1.000  -120  30.0   2

assign (resid  12 and name   HN)  (resid  12 and name   N)  
       (resid  12 and name   CA)  (resid  12 and name   HA)  1.000  -120  30.0   2

assign (resid  13 and name   HN)  (resid  13 and name   N)  
       (resid  13 and name   CA)  (resid  13 and name   HA)  1.000  -120  30.0   2

assign (resid  14 and name   HN)  (resid  14 and name   N)  
       (resid  14 and name   CA)  (resid  14 and name   HA)  1.000  -120  30.0   2
       

       
!dihedrals in peptide bonds
assign (resid  1 and name   O)  (resid  1 and name   C)  
       (resid  2 and name   N)   (resid  2 and name   HN)  1.000  180  10.0   2

assign (resid  2 and name   O)  (resid  2 and name   C)  
       (resid  3 and name   N)   (resid  3 and name   HN)  1.000  180  10.0   2

assign (resid  3 and name   O)  (resid  3 and name   C)  
       (resid  4 and name   N)   (resid  4 and name   HN)  1.000  180  10.0   2

assign (resid  4 and name   O)  (resid  4 and name   C)  
       (resid  5 and name   N)   (resid  5 and name   HN)  1.000  180  10.0   2 

assign (resid  6 and name   O)  (resid  6 and name   C)  
       (resid  7 and name   N)   (resid  7 and name   HN)  1.000  180  10.0   2

assign (resid  7 and name   O)  (resid  7 and name   C)  
       (resid  8 and name   N)   (resid  8 and name   HN)  1.000  180  10.0   2 

assign (resid  8 and name   O)  (resid  8 and name   C)  
       (resid  9 and name   N)   (resid  9 and name   HN)  1.000  180  10.0   2 

assign (resid  9 and name   O)  (resid  9 and name   C)  
       (resid  10 and name   N)   (resid  10 and name   HN)  1.000  180  10.0   2

assign (resid  10 and name   O)  (resid  10 and name   C)  
       (resid  11 and name   N)   (resid  11 and name   HN)  1.000  180  10.0   2

assign (resid  11 and name   O)  (resid  11 and name   C)  
       (resid  12 and name   N)   (resid  12 and name   HN)  1.000  180  10.0   2

assign (resid  12 and name   O)  (resid  12 and name   C)  
       (resid  13 and name   N)   (resid  13 and name   HN)  1.000  180  10.0   2

assign (resid  13 and name   O)  (resid  13 and name   C)  
       (resid  14 and name   N)   (resid  14 and name   HN)  1.000  180  10.0   2

!dihedrals in HB, one trans, one gosh (big+small noe)

assign (resid 1 and name HA) (resid 1 and name CA)
       (resid 1 and name CB) (resid 1 and name HB1) 1.000 180 30.0 2

assign (resid 3 and name HA) (resid 3 and name CA)
       (resid 3 and name CB) (resid 3 and name HB1)  1.000 180 30.0 2

!assign (resid 6 and name HA) (resid 6 and name CA)
!       (resid 6 and name CB) (resid 6 and name HB1) 1.000 180 30.0 2

!assign (resid 9 and name HA) (resid 9 and name CA) 
!       (resid 9 and name CB) (resid 9 and name HB2)   1.000 180 30.0 2

!assign (resid 10 and name HA) (resid 10 and name CA)
!       (resid 10 and name CB) (resid 10 and name HB2)   1.000 180 30.0 2

!assign (resid 11 and name HA) (resid 11 and name CA) 
!       (resid 11 and name CB) (resid 11 and name HB2)   1.000 180 30.0 2

assign (resid 13 and name HA) (resid 13 and name CA) 
       (resid 13 and name CB) (resid 13 and name HB2)   1.000 180 30.0 2

assign (resid 14 and name HA) (resid 14 and name CA)
       (resid 14 and name CB) (resid 14 and name HB2)   1.000 180 30.0 2

end
assign (resid  3 and name  HB1) (resid  1 and name HA)  5.0 1.0 1.0 !added to 3.4   0.7   0.7   
assign ((resid  1 and name HB1) or (resid  1 and name HB2)) (resid 13 and name HB2) 1.6   0.3   0.3     
assign (resid  2 and name   HA) (resid  3 and name  HN)  3.3   0.8   0.8   
assign (resid  4 and name    HN) (resid  3 and name  HN)  3.7   0.8   0.8   
assign (resid  3 and name   HA) (resid  4 and name  HN)  3.4   0.8   0.8   
assign (resid  4 and name    HN) (resid  5 and name  HN)  3.9   0.8   0.8   
assign (resid  4 and name   HA) (resid  5 and name  HN)  2.7   0.6   0.6   
assign (resid  6 and name    HN) (resid  5 and name  HN)  3.4   0.7   0.7   
assign (resid  5 and name    HN) (resid  4 and name HB2)  3.6   0.7   0.7  
assign (resid  4 and name  HB1) (resid  5 and name  HN)  3.3   0.7   0.7   
assign (resid  5 and name   HA) (resid  6 and name  HN)  3.0   0.6   0.6   
assign (resid  7 and name    HN) (resid  6 and name  HN)  3.1   0.6   0.6   
assign (resid  6 and name    HN) (resid  4 and name HB2)  3.9   0.8   0.8   
assign (resid  4 and name  HB1) (resid  6 and name  HN)  3.9   0.8   0.8   
assign (resid  5 and name  HG1) (resid  6 and name  HN)  4.1   0.8   0.8   
assign (resid  5 and name  HB2) (resid  6 and name  HN)  3.4   0.7   0.7   
assign (resid  5 and name  HB1) (resid  6 and name  HN)  3.7   0.8   0.8   
assign (resid  6 and name   HA) (resid  7 and name  HN)  3.6   0.8   0.8   
assign (resid  7 and name    HN) (resid  8 and name  HN)  3.4   0.7   0.7   
assign (resid  7 and name    HN) (resid  9 and name  HN)  5.5   1.1   1.1  
assign (resid  6 and name  HB2) (resid  7 and name  HN)  4.0   0.9   0.9    
assign (resid  6 and name  HB1) (resid  7 and name  HN)  3.8   0.8   0.8   
assign (resid  7 and name   HA) (resid  8 and name  HN)  2.7   0.6   0.6    
assign (resid  7 and name   HA) (resid  6 and name HE3)  3.6   0.8   0.8   
assign (resid  8 and name   HA) (resid  9 and name  HN)  2.8   0.6   0.6
assign ((resid  8 and name HG2) or (resid  8 and name HG3)) (resid  9 and name  HN)  3.4   0.7   0.7     
assign (resid  8 and name  HB2) (resid  9 and name  HN)  3.6   0.8   0.8    
assign (resid  8 and name  HB1) (resid  9 and name  HN)  3.0   0.6   0.6   
assign (resid  9 and name   HA) (resid 10 and name  HN)  3.1   0.7   0.7   
assign (resid 10 and name    HN) ((resid  9 and name HB1) or (resid  9 and name HB2))  3.3   0.7   0.7   
assign ((resid  9 and name HB1) or (resid  9 and name HB2)) (resid 11 and name  HN)  3.8   0.8   0.8      
assign (resid 10 and name  HB2) (resid 11 and name  HN)  3.8   0.8   0.8   
assign (resid 10 and name  HB1) (resid 11 and name  HN)  3.6   0.7   0.7   
assign (resid 11 and name   HA) (resid 12 and name  HN)  3.1   0.6   0.6   
assign (resid 12 and name   HA) (resid 13 and name  HN)  3.3   0.7   0.7  
assign (resid 14 and name    HN) (resid 13 and name  HN)  3.4   0.7   0.7  
assign (resid 14 and name   HA) (resid  3 and name HB2)  3.4   0.7   0.7  
assign (resid 14 and name   HA) (resid  3 and name HB1)  3.3   0.7   0.7   
assign (resid  3 and name  HB2) (resid 14 and name HB1)  3.2   0.6   0.6   
 
assign ((resid  1 and name HB1) or (resid  1 and name HB2)) (resid  1 and name HA ) 2.7   0.6   0.6   
assign (resid  2 and name    HN) (resid  2 and name HA ) 4.4   0.9   0.9   
assign (resid  2 and name    HN) (resid  2 and name HB2 ) 4.2   0.8   0.8   
assign (resid  2 and name  HB1) (resid  2 and name  HN) 4.7   1.0   1.0   
assign (resid  2 and name   HA) (resid  2 and name HB2 ) 3.0   0.6   0.6   
assign (resid  2 and name   HA) (resid  2 and name HB1 ) 2.9   0.6   0.6   
assign (resid  2 and name HD22) (resid  2 and name HA ) 4.2   0.8   0.8   
assign (resid  2 and name HD21) (resid  2 and name HA ) 4.1   0.8   0.8   
assign (resid  3 and name  HB2) (resid  3 and name  HN) 3.1   0.7   0.7   
assign (resid  3 and name  HB1) (resid  3 and name  HN) 3.3   0.7   0.7   
assign (resid  3 and name   HA) (resid  3 and name  HN) 3.7   0.9   0.9   
assign (resid  3 and name   HA) (resid  3 and name HB2 ) 3.2   0.7   0.7   
assign (resid  3 and name   HA) (resid  3 and name HB1 ) 3.3   0.7   0.7   
assign (resid  4 and name  HB2) (resid  4 and name  HN) 3.2   0.6   0.6   
assign (resid  4 and name  HB1) (resid  4 and name  HN) 3.3   0.7   0.7   
assign (resid  4 and name   HA) (resid  4 and name  HN) 3.4   0.7   0.7   
assign (resid  4 and name   HA) (resid  4 and name HB2 ) 2.6   0.5   0.5   
assign (resid  4 and name  HB1) (resid  4 and name HA ) 2.5   0.5   0.5   
assign (resid  5 and name   HA) (resid  5 and name  HN) 3.1   0.6   0.6   
assign ((resid  5 and name HD2) or (resid  5 and name HD2)) (resid  5 and name  HN) 4.4   0.9   0.9   
assign (resid  5 and name  HG2) (resid  5 and name  HN) 3.7   0.8   0.8   
assign (resid  5 and name  HG1) (resid  5 and name  HN) 3.6   0.8   0.8   
assign (resid  5 and name  HB2) (resid  5 and name  HN) 3.2   0.7   0.7   
assign (resid  5 and name  HB1) (resid  5 and name  HN) 3.1   0.7   0.7   
assign ((resid  5 and name HD2) or (resid  5 and name HD3)) (resid  5 and name HA ) 3.8   0.8   0.8  
assign (resid  5 and name  HG2) (resid  5 and name HA ) 3.4   0.7   0.7  
assign (resid  5 and name  HG1) (resid  5 and name HA ) 3.4   0.7   0.7    
assign (resid  5 and name  HB2) (resid  5 and name HA ) 2.8   0.6   0.6   
assign (resid  5 and name  HB1) (resid  5 and name HA ) 3.0   0.6   0.6   
assign (resid  6 and name   HA) (resid  6 and name  HN) 3.3   0.7   0.7    
assign (resid  6 and name  HB2) (resid  6 and name  HN) 3.0   0.6   0.6  
assign (resid  6 and name  HB1) (resid  6 and name  HN) 3.2   0.7   0.7   
assign (resid  6 and name  HE3) (resid  6 and name  HN) 3.9   0.8   0.8   
assign (resid  6 and name  HB2) (resid  6 and name HA ) 2.7   0.5   0.5   
assign (resid  6 and name   HA) (resid  6 and name HB1 ) 3.4   0.8   0.8   
assign (resid  6 and name   HA) (resid  6 and name HE3 ) 3.2   0.8   0.8   
assign (resid  6 and name  HZ3) (resid  6 and name HA ) 3.8   0.8   0.8   
assign (resid  7 and name   HA) (resid  7 and name  HN) 3.2   0.6   0.6   
assign (resid  7 and name    HN) ((resid  7 and name HB1) or (resid  7 and name HB2) or (resid  7 and name HB3)) 2.7   0.5   0.5   
assign ((resid  7 and name HB1) or (resid  7 and name HB2) or (resid  7 and name HB3)) (resid  7 and name HA ) 2.0   0.4   0.4   
assign (resid  7 and name   HA) ((resid  7 and name HB1) or (resid  7 and name HB2) or (resid  7 and name HB3)) 2.4   0.5   0.5   
assign (resid  8 and name   HA) (resid  8 and name  HN) 2.9   0.6   0.6    
assign ((resid  8 and name HD2) or (resid  8 and name HD3)) (resid  8 and name  HN) 3.7   0.8   0.8    
assign (resid  8 and name    HN) ((resid  8 and name HG2) or (resid  8 and name HG3)) 2.9   0.6   0.6    
assign (resid  8 and name  HB2) (resid  8 and name  HN) 3.2   0.7   0.7    
assign (resid  8 and name  HB1) (resid  8 and name  HN) 2.6   0.5   0.5   
assign ((resid  8 and name HD2) or (resid  8 and name HD3)) (resid  8 and name HA ) 3.4   0.7   0.7   
assign ((resid  8 and name HG2) or (resid  8 and name HG3)) (resid  8 and name HA ) 3.6   0.7   0.7   
assign (resid  8 and name   HA) (resid  8 and name HB2 ) 2.9   0.6   0.6    
assign (resid  8 and name   HA) (resid  8 and name HB1 ) 2.5   0.5   0.5   
assign (resid  9 and name   HA) (resid  9 and name  HN) 3.1   0.7   0.7   
assign (resid  9 and name    HN) ((resid  9 and name HB1) or (resid  9 and name HB2)) 2.6   0.5   0.5  
assign (resid  9 and name   HA) ((resid  9 and name HB1) or (resid  9 and name HB2)) 2.3   0.5   0.5   
assign (resid 10 and name    HN) (resid 10 and name HB2 ) 3.7   0.8   0.8  
assign (resid 10 and name    HN) (resid 10 and name HB1 ) 3.7   0.7   0.7   
assign (resid 10 and name    HN) (resid 10 and name HE1 ) 4.8   1.0   1.0  
assign (resid 10 and name    HN) (resid 10 and name HD1 ) 4.3   0.9   0.9   
assign (resid 11 and name   HA) (resid 11 and name  HN) 3.2   0.7   0.7    
assign (resid 11 and name  HB2) (resid 11 and name  HN) 3.0   0.6   0.6    
assign (resid 11 and name    HN) (resid 11 and name HB1 ) 2.9   0.6   0.6   
assign (resid 11 and name   HA) (resid 11 and name HB2 ) 2.6   0.5   0.5 6  
assign (resid 11 and name  HB1) (resid 11 and name HA ) 2.5   0.5   0.5 6  
assign (resid 12 and name   HA) (resid 12 and name  HN) 3.5   0.7   0.7   
assign (resid 12 and name    HN) ((resid  12 and name HD2) or (resid  12 and name HD3)) 4.5   0.9   0.9 5  
assign (resid 12 and name    HN) ((resid  12 and name HG2) or (resid  12 and name HG3)) 4.4   0.9   0.9   
assign (resid 12 and name    HN) (resid 12 and name HB2 ) 3.9   0.8   0.8  
assign (resid 12 and name  HB1) (resid 12 and name  HN) 3.4   0.7   0.7    
!assign (resid 12 and name   HA) ((resid  12 and name HD2) or (resid  12 and name HD3)) 3.2   0.6   0.6   
assign (resid 12 and name   HA) ((resid  12 and name HG2) or (resid  12 and name HG3)) 3.9   0.8   0.8   
assign (resid 12 and name   HA) (resid 12 and name HB2 ) 3.1   0.6   0.6   
assign (resid 12 and name   HA) (resid 12 and name HB1 ) 3.0   0.6   0.6   
assign (resid 13 and name   HA) (resid 13 and name  HN) 3.4   0.7   0.7   
assign (resid 13 and name  HB2) (resid 13 and name  HN) 3.3   0.7   0.7     
assign (resid 13 and name  HB1) (resid 13 and name  HN) 3.5   0.7   0.7    
assign (resid 13 and name   HA) (resid 13 and name HB2 ) 2.7   0.6   0.6  
assign (resid 13 and name  HB1) (resid 13 and name HA ) 2.6   0.5   0.5   
assign (resid 14 and name   HA) (resid 14 and name  HN) 3.3   0.7   0.7   
assign (resid 14 and name    HN) (resid 14 and name HB2 ) 3.0   0.6   0.6   
assign (resid 14 and name  HB1) (resid 14 and name  HN) 3.4   0.7   0.7    
assign (resid 14 and name  HB2) (resid 14 and name HA ) 3.5   0.8   0.8   
assign (resid 14 and name   HA) (resid 14 and name HB1 ) 2.7   0.6   0.6    
assign (resid  3 and name  HB1) (resid  3 and name HB2 ) 2.0   0.4   0.4   
assign (resid 14 and name  HB2) (resid 14 and name HB1 ) 1.9   0.4   0.4   
assign (resid  4 and name  HB1) (resid  4 and name HB2 ) 1.7   0.3   0.3   
assign (resid 11 and name  HB2) (resid 11 and name HB1 ) 1.6   0.3   0.3   
assign (resid 10 and name  HB1) (resid 10 and name HB2 ) 1.9   0.4   0.4   
assign (resid 10 and name  HB2) (resid 10 and name HE1 ) 4.3   0.9   0.9   
assign (resid 10 and name  HE1) (resid 10 and name HB1 ) 3.9   0.7   0.7   
assign (resid 10 and name  HD1) (resid 10 and name HB1 ) 3.9   0.8   0.8   
assign (resid  6 and name  HB2) (resid  6 and name HB1 ) 1.8   0.4   0.4   
assign (resid  6 and name  HB2) (resid  6 and name HE3 ) 3.3   0.7   0.7   
!assign (resid  6 and name  HZ3) (resid  6 and name HB2 ) 3.6   0.7   0.7    
assign (resid  6 and name  HB1) (resid  6 and name HE3 ) 3.0   0.7   0.7   
assign (resid  6 and name  HZ3) (resid  6 and name HB1 ) 3.9   0.8   0.8   
assign (resid  6 and name  HB1) (resid  6 and name HZ3 ) 5.1   1.0   1.0   
assign (resid  2 and name  HB1) (resid  2 and name HB2 ) 1.6   0.3   0.3   
assign (resid  2 and name  HB2) (resid  2 and name HD22 ) 2.8   0.6   0.6   
assign (resid  2 and name  HB2) (resid  2 and name HD21 ) 3.5   0.7   0.7   
assign (resid  2 and name  HB1) (resid  2 and name HD22 ) 3.3   0.7   0.7  
assign (resid  2 and name  HB1) (resid  2 and name HD21 ) 3.8   0.9   0.9   
assign ((resid  8 and name HD2) or (resid  8 and name HD3)) ((resid  8 and name HG2) or (resid  8 and name HG3)) 3.2   0.6   0.6   
assign ((resid  8 and name HD2) or (resid  8 and name HD3)) (resid  8 and name HB2 ) 2.1   0.4   0.4   
assign (resid  8 and name  HB2) ((resid  8 and name HD2) or (resid  8 and name HD3)) 2.3   0.5   0.5    
assign (resid  8 and name  HB1) ((resid  8 and name HD2) or (resid  8 and name HD3)) 2.4   0.5   0.5   
assign ((resid 12 and name HD2) or (resid 12 and name HD3)) ((resid 12 and name HG2) or (resid 12 and name HG3)) 3.2 0.6 0.6   
assign (resid 12 and name  HB2) ((resid  12 and name HD2) or (resid  12 and name HD3)) 2.4   0.5   0.5   
assign (resid 12 and name  HB1) ((resid  12 and name HD2) or (resid  12 and name HD3)) 2.8   0.6   0.6   
assign (resid  5 and name  HG2) ((resid  5 and name HD2) or (resid  5 and name HD3)) 3.1   0.6   0.6   
assign ((resid  5 and name HD2) or (resid  5 and name HD3)) (resid  5 and name HG2 ) 2.9   0.6   0.6   
assign (resid  5 and name  HG1) ((resid  5 and name HD2) or (resid  5 and name HD3)) 3.0   0.6   0.6    
assign (resid  5 and name  HB2) ((resid  5 and name HD2) or (resid  5 and name HD3)) 3.4   0.7   0.7   
assign (resid  5 and name  HB1) ((resid  5 and name HD2) or (resid  5 and name HD3)) 3.4   0.7   0.7   
assign (resid  5 and name  HG1) (resid  5 and name HG2 ) 1.9   0.4   0.4   
assign (resid  5 and name  HG2) (resid  5 and name HB2 ) 3.1   0.7   0.7    
assign (resid  5 and name  HG2) (resid  5 and name HB1 ) 3.1   0.7   0.7   
assign (resid  5 and name  HG1) (resid  5 and name HB2 ) 3.0   0.6   0.6    
assign (resid  5 and name  HG1) (resid  5 and name HB1 ) 3.1   0.7   0.7   
assign (resid  5 and name  HB1) (resid  5 and name HB2 ) 1.8   0.4   0.4   
assign (resid  5 and name  HB2) (resid  5 and name HB1 ) 1.8   0.4   0.4   
assign (resid  8 and name  HB2) ((resid  8 and name HG2) or (resid  8 and name HG3)) 2.8   0.6   0.6   
assign (resid  8 and name  HB1) ((resid  8 and name HG2) or (resid  8 and name HG3)) 3.0   0.6   0.6   
assign (resid  8 and name  HB2) (resid  8 and name HB1 ) 1.8   0.4   0.4   
assign (resid 12 and name  HB2) ((resid  12 and name HG2) or (resid  12 and name HG3)) 2.9   0.6   0.6   
assign (resid 12 and name  HB1) ((resid  12 and name HG2) or (resid  12 and name HG3)) 3.3   0.7   0.7      
assign (resid 12 and name  HB2) (resid 12 and name HB1 ) 2.2   0.4   0.4   
assign (resid  6 and name  HE3) (resid  6 and name HZ3 ) 2.2   0.4   0.4   
assign (resid 10 and name  HD1) (resid 10 and name HE1 ) 3.2   0.6   0.6   
assign (resid 10 and name  HE1) (resid 10 and name HD1 ) 3.5   0.7   0.7  
assign (resid  2 and name HD22) (resid  2 and name HD21 ) 1.7   0.3   0.3   
assign (resid 13 and name  HB1) (resid 13 and name HB2 ) 1.7   0.3   0.3     

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           HT1      CYS   1  12.717  17.518  13.689
    2    H2   CYS   1           HT2      CYS   1  12.285  17.982  12.111
    3    H3   CYS   1           HT3      CYS   1  11.509  18.628  13.473
    4    HA   CYS   1           HA       CYS   1  13.187  20.122  12.418
    5    HB2  CYS   1           HB2      CYS   1  12.369  20.288  14.778
    6    HB3  CYS   1           HB1      CYS   1  13.641  19.194  15.317
    7    H    ASN   2           HN       ASN   2  15.660  20.614  12.974
    8    HA   ASN   2           HA       ASN   2  17.075  18.379  11.586
    9    HB2  ASN   2           HB2      ASN   2  19.072  19.754  11.438
   10    HB3  ASN   2           HB1      ASN   2  17.759  20.203  10.415
   11   HD21  ASN   2          HD21      ASN   2  19.436  21.178  13.511
   12   HD22  ASN   2          HD22      ASN   2  19.159  22.840  13.087
   13    H    CYS   3           HN       CYS   3  16.462  17.135  13.581
   14    HA   CYS   3           HA       CYS   3  18.273  17.525  15.820
   15    HB2  CYS   3           HB2      CYS   3  15.947  16.951  16.315
   16    HB3  CYS   3           HB1      CYS   3  16.068  15.467  15.372
   17    H    SER   4           HN       SER   4  19.839  17.368  13.832
   18    HA   SER   4           HA       SER   4  20.831  14.655  13.527
   19    HB2  SER   4           HB2      SER   4  22.028  17.297  12.525
   20    HB3  SER   4           HB1      SER   4  22.530  15.646  12.067
   21    HG   SER   4           HG       SER   4  20.990  16.863  10.673
   22    H    ARG   5           HN       ARG   5  23.190  14.275  14.128
   23    HA   ARG   5           HA       ARG   5  23.495  14.777  16.797
   24    HB2  ARG   5           HB2      ARG   5  24.315  12.818  15.680
   25    HB3  ARG   5           HB1      ARG   5  25.461  13.759  14.687
   26    HG2  ARG   5           HG2      ARG   5  26.811  14.285  16.686
   27    HG3  ARG   5           HG1      ARG   5  25.600  13.500  17.751
   28    HD2  ARG   5           HD2      ARG   5  26.111  11.251  16.695
   29    HD3  ARG   5           HD1      ARG   5  27.243  12.082  15.567
   30    HE   ARG   5           HE       ARG   5  28.698  12.634  17.441
   31   HH11  ARG   5          HH11      ARG   5  25.867  10.993  18.817
   32   HH12  ARG   5          HH12      ARG   5  26.797  10.225  20.040
   33   HH21  ARG   5          HH21      ARG   5  29.908  11.274  18.855
   34   HH22  ARG   5          HH22      ARG   5  29.101  10.270  19.996
   35    H    TRP   6           HN       TRP   6  25.077  16.518  14.074
   36    HA   TRP   6           HA       TRP   6  26.365  18.244  16.017
   37    HB2  TRP   6           HB2      TRP   6  26.994  17.388  13.301
   38    HB3  TRP   6           HB1      TRP   6  26.990  19.164  13.467
   39    HD1  TRP   6           HD1      TRP   6  29.448  16.434  14.168
   40    HE1  TRP   6           HE1      TRP   6  31.412  17.576  15.391
   41    HE3  TRP   6           HE3      TRP   6  27.103  20.693  15.529
   42    HZ2  TRP   6           HZ2      TRP   6  31.847  19.972  16.825
   43    HZ3  TRP   6           HZ3      TRP   6  28.321  22.386  16.782
   44    HH2  TRP   6           HH2      TRP   6  30.668  22.040  17.431
   45    H    ALA   7           HN       ALA   7  23.661  18.571  16.410
   46    HA   ALA   7           HA       ALA   7  22.702  20.698  14.806
   47    HB1  ALA   7           HB1      ALA   7  21.700  19.629  17.477
   48    HB2  ALA   7           HB2      ALA   7  21.181  19.147  15.816
   49    HB3  ALA   7           HB3      ALA   7  20.854  20.817  16.385
   50    H    ARG   8           HN       ARG   8  24.325  22.312  14.820
   51    HA   ARG   8           HA       ARG   8  25.281  23.393  17.267
   52    HB2  ARG   8           HB2      ARG   8  26.673  24.700  16.007
   53    HB3  ARG   8           HB1      ARG   8  26.523  23.096  15.195
   54    HG2  ARG   8           HG2      ARG   8  25.108  24.059  13.395
   55    HG3  ARG   8           HG1      ARG   8  25.128  25.653  14.248
   56    HD2  ARG   8           HD2      ARG   8  27.657  25.417  14.261
   57    HD3  ARG   8           HD1      ARG   8  27.505  24.129  12.988
   58    HE   ARG   8           HE       ARG   8  25.928  26.118  11.896
   59   HH11  ARG   8          HH11      ARG   8  29.321  25.964  12.944
   60   HH12  ARG   8          HH12      ARG   8  29.808  27.400  12.146
   61   HH21  ARG   8          HH21      ARG   8  26.572  28.160  10.875
   62   HH22  ARG   8          HH22      ARG   8  28.278  28.496  10.777
   63    H    ASP   9           HN       ASP   9  22.950  24.339  14.905
   64    HA   ASP   9           HA       ASP   9  22.489  26.947  15.630
   65    HB2  ASP   9           HB2      ASP   9  20.593  24.926  14.288
   66    HB3  ASP   9           HB1      ASP   9  20.454  26.727  14.179
   67    H    HIS  10           HN       HIS  10  20.246  27.828  16.102
   68    HA   HIS  10           HA       HIS  10  19.601  27.058  18.746
   69    HB2  HIS  10           HB2      HIS  10  17.980  29.045  17.072
   70    HB3  HIS  10           HB1      HIS  10  17.987  28.798  18.846
   71    HD1  HIS  10           HD1      HIS  10  18.612  31.555  17.966
   72    HD2  HIS  10           HD2      HIS  10  21.568  28.661  18.666
   73    HE1  HIS  10           HE1      HIS  10  20.712  32.738  18.925
   74    H    SER  11           HN       SER  11  18.168  26.234  15.655
   75    HA   SER  11           HA       SER  11  15.815  25.104  16.563
   76    HB2  SER  11           HB2      SER  11  17.575  24.269  14.187
   77    HB3  SER  11           HB1      SER  11  15.827  23.894  14.403
   78    HG   SER  11           HG       SER  11  16.998  26.071  13.404
   79    H    ARG  12           HN       ARG  12  17.224  24.221  18.527
   80    HA   ARG  12           HA       ARG  12  17.998  21.425  18.030
   81    HB2  ARG  12           HB2      ARG  12  19.528  22.707  19.444
   82    HB3  ARG  12           HB1      ARG  12  18.162  22.938  20.596
   83    HG2  ARG  12           HG2      ARG  12  18.132  20.446  20.966
   84    HG3  ARG  12           HG1      ARG  12  19.322  20.210  19.675
   85    HD2  ARG  12           HD2      ARG  12  19.951  22.031  22.077
   86    HD3  ARG  12           HD1      ARG  12  20.083  20.250  22.239
   87    HE   ARG  12           HE       ARG  12  21.681  21.996  20.341
   88   HH11  ARG  12          HH21      ARG  12  21.264  18.746  21.896
   89   HH12  ARG  12          HH22      ARG  12  22.662  18.135  21.047
   90   HH21  ARG  12          HH11      ARG  12  23.400  20.949  19.209
   91   HH22  ARG  12          HH12      ARG  12  23.955  19.409  19.733
   92    H    CYS  13           HN       CYS  13  15.559  21.351  17.378
   93    HA   CYS  13           HA       CYS  13  13.673  21.578  19.471
   94    HB2  CYS  13           HB2      CYS  13  12.866  20.153  16.956
   95    HB3  CYS  13           HB1      CYS  13  11.984  21.311  17.966
   96    H    CYS  14           HN       CYS  14  15.748  19.088  18.879
   97    HA   CYS  14           HA       CYS  14  14.619  16.784  18.580
   98    HB2  CYS  14           HB2      CYS  14  16.590  17.334  20.866
   99    HB3  CYS  14           HB1      CYS  14  16.239  15.746  20.088
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1  14.802  16.156  11.467
    2    H2   CYS   1           HT2      CYS   1  13.204  16.547  11.879
    3    H3   CYS   1           HT3      CYS   1  14.352  16.300  13.086
    4    HA   CYS   1           HA       CYS   1  14.299  18.490  11.144
    5    HB2  CYS   1           HB2      CYS   1  12.610  18.437  13.075
    6    HB3  CYS   1           HB1      CYS   1  13.966  18.575  14.193
    7    H    ASN   2           HN       ASN   2  15.620  20.200  12.994
    8    HA   ASN   2           HA       ASN   2  18.417  19.259  12.540
    9    HB2  ASN   2           HB2      ASN   2  18.016  22.069  13.568
   10    HB3  ASN   2           HB1      ASN   2  19.269  21.321  12.629
   11   HD21  ASN   2          HD21      ASN   2  15.856  22.649  12.268
   12   HD22  ASN   2          HD22      ASN   2  16.202  22.968  10.608
   13    H    CYS   3           HN       CYS   3  16.743  18.217  14.798
   14    HA   CYS   3           HA       CYS   3  17.808  19.297  17.168
   15    HB2  CYS   3           HB2      CYS   3  15.754  17.960  17.459
   16    HB3  CYS   3           HB1      CYS   3  16.494  16.595  16.607
   17    H    SER   4           HN       SER   4  19.022  16.532  15.219
   18    HA   SER   4           HA       SER   4  20.871  15.818  17.181
   19    HB2  SER   4           HB2      SER   4  20.909  15.217  14.184
   20    HB3  SER   4           HB1      SER   4  22.001  14.471  15.389
   21    HG   SER   4           HG       SER   4  20.075  13.285  14.888
   22    H    ARG   5           HN       ARG   5  23.106  15.939  17.260
   23    HA   ARG   5           HA       ARG   5  23.665  18.698  17.126
   24    HB2  ARG   5           HB2      ARG   5  25.249  16.346  18.279
   25    HB3  ARG   5           HB1      ARG   5  25.891  17.999  18.269
   26    HG2  ARG   5           HG2      ARG   5  24.036  18.881  19.602
   27    HG3  ARG   5           HG1      ARG   5  23.260  17.270  19.644
   28    HD2  ARG   5           HD2      ARG   5  25.051  16.357  20.976
   29    HD3  ARG   5           HD1      ARG   5  26.157  17.739  20.663
   30    HE   ARG   5           HE       ARG   5  23.906  17.712  22.605
   31   HH11  ARG   5          HH21      ARG   5  26.106  19.821  20.703
   32   HH12  ARG   5          HH22      ARG   5  25.443  21.253  21.444
   33   HH21  ARG   5          HH11      ARG   5  23.255  19.673  23.631
   34   HH22  ARG   5          HH12      ARG   5  24.189  21.110  23.339
   35    H    TRP   6           HN       TRP   6  24.322  16.404  14.853
   36    HA   TRP   6           HA       TRP   6  26.624  17.603  13.725
   37    HB2  TRP   6           HB2      TRP   6  24.450  15.721  12.685
   38    HB3  TRP   6           HB1      TRP   6  25.467  16.617  11.507
   39    HD1  TRP   6           HD1      TRP   6  25.900  13.412  13.509
   40    HE1  TRP   6           HE1      TRP   6  28.368  12.755  13.302
   41    HE3  TRP   6           HE3      TRP   6  27.643  17.725  11.558
   42    HZ2  TRP   6           HZ2      TRP   6  30.762  13.931  12.302
   43    HZ3  TRP   6           HZ3      TRP   6  30.014  17.903  10.944
   44    HH2  TRP   6           HH2      TRP   6  31.551  16.038  11.314
   45    H    ALA   7           HN       ALA   7  23.210  18.718  13.703
   46    HA   ALA   7           HA       ALA   7  23.956  20.531  11.586
   47    HB1  ALA   7           HB1      ALA   7  21.811  19.387  11.535
   48    HB2  ALA   7           HB2      ALA   7  21.633  21.170  11.566
   49    HB3  ALA   7           HB3      ALA   7  21.324  20.192  13.078
   50    H    ARG   8           HN       ARG   8  22.159  22.700  12.747
   51    HA   ARG   8           HA       ARG   8  24.159  23.951  14.320
   52    HB2  ARG   8           HB2      ARG   8  21.379  24.908  13.385
   53    HB3  ARG   8           HB1      ARG   8  22.673  25.870  14.118
   54    HG2  ARG   8           HG2      ARG   8  24.139  25.533  12.159
   55    HG3  ARG   8           HG1      ARG   8  22.945  24.434  11.389
   56    HD2  ARG   8           HD2      ARG   8  22.217  27.207  12.385
   57    HD3  ARG   8           HD1      ARG   8  22.974  27.066  10.732
   58    HE   ARG   8           HE       ARG   8  20.250  26.228  11.583
   59   HH11  ARG   8          HH11      ARG   8  22.731  25.669   9.010
   60   HH12  ARG   8          HH12      ARG   8  21.468  25.090   7.926
   61   HH21  ARG   8          HH21      ARG   8  18.772  25.778   9.862
   62   HH22  ARG   8          HH22      ARG   8  19.419  25.151   8.389
   63    H    ASP   9           HN       ASP   9  24.010  24.805  16.275
   64    HA   ASP   9           HA       ASP   9  23.235  23.144  18.236
   65    HB2  ASP   9           HB2      ASP   9  23.792  26.176  18.228
   66    HB3  ASP   9           HB1      ASP   9  23.693  25.208  19.744
   67    H    HIS  10           HN       HIS  10  21.696  26.254  17.523
   68    HA   HIS  10           HA       HIS  10  20.148  26.217  19.852
   69    HB2  HIS  10           HB2      HIS  10  19.457  27.921  17.391
   70    HB3  HIS  10           HB1      HIS  10  19.312  28.355  19.112
   71    HD1  HIS  10           HD1      HIS  10  20.773  29.973  16.958
   72    HD2  HIS  10           HD2      HIS  10  22.528  27.711  20.014
   73    HE1  HIS  10           HE1      HIS  10  22.945  31.204  17.752
   74    H    SER  11           HN       SER  11  19.614  24.963  16.723
   75    HA   SER  11           HA       SER  11  16.731  25.086  16.823
   76    HB2  SER  11           HB2      SER  11  16.957  23.841  14.555
   77    HB3  SER  11           HB1      SER  11  17.503  25.523  14.705
   78    HG   SER  11           HG       SER  11  19.245  23.291  14.978
   79    H    ARG  12           HN       ARG  12  17.009  23.772  18.890
   80    HA   ARG  12           HA       ARG  12  17.365  20.912  18.384
   81    HB2  ARG  12           HB2      ARG  12  18.298  21.798  20.520
   82    HB3  ARG  12           HB1      ARG  12  16.614  22.237  20.981
   83    HG2  ARG  12           HG2      ARG  12  16.121  19.654  20.813
   84    HG3  ARG  12           HG1      ARG  12  17.898  19.491  20.573
   85    HD2  ARG  12           HD2      ARG  12  18.074  20.877  22.829
   86    HD3  ARG  12           HD1      ARG  12  16.293  20.556  22.990
   87    HE   ARG  12           HE       ARG  12  18.188  18.272  22.421
   88   HH11  ARG  12          HH21      ARG  12  16.235  19.739  25.035
   89   HH12  ARG  12          HH22      ARG  12  17.243  18.952  26.240
   90   HH21  ARG  12          HH11      ARG  12  19.058  17.092  23.844
   91   HH22  ARG  12          HH12      ARG  12  18.532  17.061  25.514
   92    H    CYS  13           HN       CYS  13  15.453  21.033  16.867
   93    HA   CYS  13           HA       CYS  13  12.918  21.663  17.708
   94    HB2  CYS  13           HB2      CYS  13  13.161  19.488  15.627
   95    HB3  CYS  13           HB1      CYS  13  12.091  20.903  15.689
   96    H    CYS  14           HN       CYS  14  14.594  18.927  18.666
   97    HA   CYS  14           HA       CYS  14  12.930  16.806  18.556
   98    HB2  CYS  14           HB2      CYS  14  15.006  17.691  20.614
   99    HB3  CYS  14           HB1      CYS  14  13.999  16.269  20.921
  Start of MODEL    3
    1    H1   CYS   1           HT1      CYS   1  11.417  18.562  12.399
    2    H2   CYS   1           HT2      CYS   1  12.495  17.600  13.289
    3    H3   CYS   1           HT3      CYS   1  12.783  17.915  11.665
    4    HA   CYS   1           HA       CYS   1  12.984  20.277  12.162
    5    HB2  CYS   1           HB2      CYS   1  11.659  20.266  14.239
    6    HB3  CYS   1           HB1      CYS   1  12.805  19.172  15.019
    7    H    ASN   2           HN       ASN   2  15.045  21.243  12.718
    8    HA   ASN   2           HA       ASN   2  17.184  19.240  12.161
    9    HB2  ASN   2           HB2      ASN   2  18.817  21.163  12.217
   10    HB3  ASN   2           HB1      ASN   2  17.858  20.876  10.783
   11   HD21  ASN   2          HD21      ASN   2  17.331  22.639  13.941
   12   HD22  ASN   2          HD22      ASN   2  17.270  24.176  13.123
   13    H    CYS   3           HN       CYS   3  16.389  18.309  14.198
   14    HA   CYS   3           HA       CYS   3  17.969  19.049  16.512
   15    HB2  CYS   3           HB2      CYS   3  15.904  17.799  16.875
   16    HB3  CYS   3           HB1      CYS   3  16.423  16.508  15.781
   17    H    SER   4           HN       SER   4  19.962  19.423  15.140
   18    HA   SER   4           HA       SER   4  21.088  17.062  13.920
   19    HB2  SER   4           HB2      SER   4  22.263  19.889  14.090
   20    HB3  SER   4           HB1      SER   4  22.745  18.564  12.982
   21    HG   SER   4           HG       SER   4  21.055  20.409  12.481
   22    H    ARG   5           HN       ARG   5  22.805  15.912  14.752
   23    HA   ARG   5           HA       ARG   5  23.447  16.481  17.456
   24    HB2  ARG   5           HB2      ARG   5  22.834  14.262  16.635
   25    HB3  ARG   5           HB1      ARG   5  24.255  14.196  15.574
   26    HG2  ARG   5           HG2      ARG   5  25.767  14.335  17.615
   27    HG3  ARG   5           HG1      ARG   5  24.303  14.304  18.652
   28    HD2  ARG   5           HD2      ARG   5  23.684  12.067  17.779
   29    HD3  ARG   5           HD1      ARG   5  25.095  12.072  16.649
   30    HE   ARG   5           HE       ARG   5  25.081  11.733  19.619
   31   HH11  ARG   5          HH11      ARG   5  27.229  12.180  16.759
   32   HH12  ARG   5          HH12      ARG   5  28.624  11.694  17.678
   33   HH21  ARG   5          HH21      ARG   5  26.823  10.597  20.446
   34   HH22  ARG   5          HH22      ARG   5  28.393  10.751  19.772
   35    H    TRP   6           HN       TRP   6  25.480  16.442  14.420
   36    HA   TRP   6           HA       TRP   6  27.697  17.004  16.131
   37    HB2  TRP   6           HB2      TRP   6  27.514  15.992  13.327
   38    HB3  TRP   6           HB1      TRP   6  28.875  17.124  13.740
   39    HD1  TRP   6           HD1      TRP   6  28.365  13.447  13.933
   40    HE1  TRP   6           HE1      TRP   6  30.214  12.531  15.493
   41    HE3  TRP   6           HE3      TRP   6  29.902  17.811  15.975
   42    HZ2  TRP   6           HZ2      TRP   6  31.896  13.537  17.524
   43    HZ3  TRP   6           HZ3      TRP   6  31.625  17.793  17.685
   44    HH2  TRP   6           HH2      TRP   6  32.609  15.677  18.475
   45    H    ALA   7           HN       ALA   7  26.422  18.737  13.176
   46    HA   ALA   7           HA       ALA   7  27.626  21.166  14.250
   47    HB1  ALA   7           HB1      ALA   7  26.145  20.606  11.647
   48    HB2  ALA   7           HB2      ALA   7  27.927  20.671  11.909
   49    HB3  ALA   7           HB3      ALA   7  26.950  22.161  12.148
   50    H    ARG   8           HN       ARG   8  26.061  21.347  16.282
   51    HA   ARG   8           HA       ARG   8  23.424  20.850  15.790
   52    HB2  ARG   8           HB2      ARG   8  24.686  22.325  18.173
   53    HB3  ARG   8           HB1      ARG   8  23.130  21.465  18.088
   54    HG2  ARG   8           HG2      ARG   8  24.235  19.308  17.807
   55    HG3  ARG   8           HG1      ARG   8  25.868  20.053  17.766
   56    HD2  ARG   8           HD2      ARG   8  23.846  20.515  19.996
   57    HD3  ARG   8           HD1      ARG   8  25.072  19.134  20.096
   58    HE   ARG   8           HE       ARG   8  26.388  21.659  19.460
   59   HH11  ARG   8          HH11      ARG   8  24.644  20.311  22.262
   60   HH12  ARG   8          HH12      ARG   8  25.386  21.466  23.319
   61   HH21  ARG   8          HH21      ARG   8  27.080  23.198  20.807
   62   HH22  ARG   8          HH22      ARG   8  26.331  23.408  22.322
   63    H    ASP   9           HN       ASP   9  21.643  21.943  15.560
   64    HA   ASP   9           HA       ASP   9  21.944  24.742  14.802
   65    HB2  ASP   9           HB2      ASP   9  19.784  22.660  14.267
   66    HB3  ASP   9           HB1      ASP   9  19.705  24.385  13.711
   67    H    HIS  10           HN       HIS  10  20.158  26.224  15.284
   68    HA   HIS  10           HA       HIS  10  19.917  26.307  18.107
   69    HB2  HIS  10           HB2      HIS  10  18.668  28.341  16.183
   70    HB3  HIS  10           HB1      HIS  10  19.003  28.528  17.923
   71    HD1  HIS  10           HD1      HIS  10  21.827  27.800  18.355
   72    HD2  HIS  10           HD2      HIS  10  20.568  29.737  14.850
   73    HE1  HIS  10           HE1      HIS  10  23.726  29.358  17.561
   74    H    SER  11           HN       SER  11  17.534  25.553  15.566
   75    HA   SER  11           HA       SER  11  15.363  25.605  17.374
   76    HB2  SER  11           HB2      SER  11  15.451  24.126  14.721
   77    HB3  SER  11           HB1      SER  11  14.035  24.709  15.650
   78    HG   SER  11           HG       SER  11  14.515  26.158  14.024
   79    H    ARG  12           HN       ARG  12  15.800  24.186  19.154
   80    HA   ARG  12           HA       ARG  12  16.906  21.552  18.545
   81    HB2  ARG  12           HB2      ARG  12  18.037  22.879  20.326
   82    HB3  ARG  12           HB1      ARG  12  16.478  22.827  21.227
   83    HG2  ARG  12           HG2      ARG  12  16.792  20.271  21.288
   84    HG3  ARG  12           HG1      ARG  12  18.379  20.507  20.510
   85    HD2  ARG  12           HD2      ARG  12  17.521  21.952  23.089
   86    HD3  ARG  12           HD1      ARG  12  18.249  20.313  23.137
   87    HE   ARG  12           HE       ARG  12  19.604  22.863  22.659
   88   HH11  ARG  12          HH21      ARG  12  19.996  19.296  22.397
   89   HH12  ARG  12          HH22      ARG  12  21.711  19.428  22.614
   90   HH21  ARG  12          HH11      ARG  12  21.643  22.875  23.273
   91   HH22  ARG  12          HH12      ARG  12  22.511  21.417  23.499
   92    H    CYS  13           HN       CYS  13  14.573  21.237  17.570
   93    HA   CYS  13           HA       CYS  13  12.501  20.869  19.492
   94    HB2  CYS  13           HB2      CYS  13  12.168  19.669  16.754
   95    HB3  CYS  13           HB1      CYS  13  11.009  20.503  17.815
   96    H    CYS  14           HN       CYS  14  14.806  19.100  19.957
   97    HA   CYS  14           HA       CYS  14  14.502  16.647  18.723
   98    HB2  CYS  14           HB2      CYS  14  15.862  17.324  21.380
   99    HB3  CYS  14           HB1      CYS  14  16.160  15.874  20.340
  Start of MODEL    4
    1    H1   CYS   1           HT1      CYS   1  12.757  18.069  12.498
    2    H2   CYS   1           HT2      CYS   1  12.750  19.254  11.296
    3    H3   CYS   1           HT3      CYS   1  11.711  19.380  12.626
    4    HA   CYS   1           HA       CYS   1  13.526  20.904  12.850
    5    HB2  CYS   1           HB2      CYS   1  12.533  19.537  14.888
    6    HB3  CYS   1           HB1      CYS   1  14.009  18.591  14.826
    7    H    ASN   2           HN       ASN   2  15.747  21.375  12.910
    8    HA   ASN   2           HA       ASN   2  17.460  19.347  11.588
    9    HB2  ASN   2           HB2      ASN   2  18.960  21.765  12.127
   10    HB3  ASN   2           HB1      ASN   2  18.554  20.986  10.615
   11   HD21  ASN   2          HD21      ASN   2  17.200  23.362  13.057
   12   HD22  ASN   2          HD22      ASN   2  16.284  24.140  11.827
   13    H    CYS   3           HN       CYS   3  16.806  18.237  13.850
   14    HA   CYS   3           HA       CYS   3  18.621  19.020  15.948
   15    HB2  CYS   3           HB2      CYS   3  16.341  18.235  16.506
   16    HB3  CYS   3           HB1      CYS   3  16.722  16.641  15.836
   17    H    SER   4           HN       SER   4  20.456  18.738  14.263
   18    HA   SER   4           HA       SER   4  21.356  16.087  13.833
   19    HB2  SER   4           HB2      SER   4  23.030  18.657  13.791
   20    HB3  SER   4           HB1      SER   4  23.342  17.103  12.921
   21    HG   SER   4           HG       SER   4  22.400  18.709  11.574
   22    H    ARG   5           HN       ARG   5  23.206  15.014  14.910
   23    HA   ARG   5           HA       ARG   5  23.448  15.713  17.630
   24    HB2  ARG   5           HB2      ARG   5  23.580  13.392  16.910
   25    HB3  ARG   5           HB1      ARG   5  24.976  13.715  15.868
   26    HG2  ARG   5           HG2      ARG   5  26.317  14.385  17.909
   27    HG3  ARG   5           HG1      ARG   5  24.903  13.948  18.928
   28    HD2  ARG   5           HD2      ARG   5  25.103  11.564  18.198
   29    HD3  ARG   5           HD1      ARG   5  26.463  12.026  17.083
   30    HE   ARG   5           HE       ARG   5  26.959  13.016  19.782
   31   HH11  ARG   5          HH21      ARG   5  27.013   9.792  18.200
   32   HH12  ARG   5          HH22      ARG   5  28.680   9.546  18.647
   33   HH21  ARG   5          HH11      ARG   5  29.104  12.446  20.469
   34   HH22  ARG   5          HH12      ARG   5  29.738  10.882  19.993
   35    H    TRP   6           HN       TRP   6  25.609  16.177  14.774
   36    HA   TRP   6           HA       TRP   6  27.470  17.456  16.526
   37    HB2  TRP   6           HB2      TRP   6  27.671  16.265  13.715
   38    HB3  TRP   6           HB1      TRP   6  28.876  17.458  14.352
   39    HD1  TRP   6           HD1      TRP   6  28.013  13.710  14.754
   40    HE1  TRP   6           HE1      TRP   6  29.611  12.793  16.545
   41    HE3  TRP   6           HE3      TRP   6  29.728  18.114  16.497
   42    HZ2  TRP   6           HZ2      TRP   6  31.314  13.882  18.561
   43    HZ3  TRP   6           HZ3      TRP   6  31.322  18.132  18.381
   44    HH2  TRP   6           HH2      TRP   6  32.090  16.054  19.393
   45    H    ALA   7           HN       ALA   7  26.186  18.704  13.268
   46    HA   ALA   7           HA       ALA   7  27.245  21.198  14.246
   47    HB1  ALA   7           HB1      ALA   7  28.013  20.423  12.128
   48    HB2  ALA   7           HB2      ALA   7  27.042  21.923  11.942
   49    HB3  ALA   7           HB3      ALA   7  26.321  20.320  11.484
   50    H    ARG   8           HN       ARG   8  25.086  20.711  15.750
   51    HA   ARG   8           HA       ARG   8  22.563  21.110  14.555
   52    HB2  ARG   8           HB2      ARG   8  21.610  20.856  16.618
   53    HB3  ARG   8           HB1      ARG   8  23.121  19.963  16.692
   54    HG2  ARG   8           HG2      ARG   8  24.165  22.144  17.787
   55    HG3  ARG   8           HG1      ARG   8  22.473  22.751  17.836
   56    HD2  ARG   8           HD2      ARG   8  21.878  20.467  18.821
   57    HD3  ARG   8           HD1      ARG   8  23.615  20.316  19.364
   58    HE   ARG   8           HE       ARG   8  22.835  22.923  20.165
   59   HH11  ARG   8          HH11      ARG   8  21.349  19.728  20.643
   60   HH12  ARG   8          HH12      ARG   8  20.575  20.204  22.126
   61   HH21  ARG   8          HH21      ARG   8  21.914  23.440  22.201
   62   HH22  ARG   8          HH22      ARG   8  21.234  22.185  23.180
   63    H    ASP   9           HN       ASP   9  21.107  22.772  14.906
   64    HA   ASP   9           HA       ASP   9  22.331  25.408  14.685
   65    HB2  ASP   9           HB2      ASP   9  20.461  26.091  13.450
   66    HB3  ASP   9           HB1      ASP   9  20.927  24.459  12.903
   67    H    HIS  10           HN       HIS  10  19.616  26.629  15.363
   68    HA   HIS  10           HA       HIS  10  20.009  26.868  18.229
   69    HB2  HIS  10           HB2      HIS  10  18.078  28.601  17.891
   70    HB3  HIS  10           HB1      HIS  10  19.675  28.989  17.186
   71    HD1  HIS  10           HD1      HIS  10  16.321  28.294  15.812
   72    HD2  HIS  10           HD2      HIS  10  20.241  29.337  14.729
   73    HE1  HIS  10           HE1      HIS  10  16.267  29.412  13.471
   74    H    SER  11           HN       SER  11  17.879  25.270  15.908
   75    HA   SER  11           HA       SER  11  15.574  25.427  17.399
   76    HB2  SER  11           HB2      SER  11  16.253  23.520  15.132
   77    HB3  SER  11           HB1      SER  11  14.603  23.955  15.724
   78    HG   SER  11           HG       SER  11  16.512  25.490  14.355
   79    H    ARG  12           HN       ARG  12  15.471  24.419  19.452
   80    HA   ARG  12           HA       ARG  12  16.452  21.670  19.676
   81    HB2  ARG  12           HB2      ARG  12  17.159  23.193  21.450
   82    HB3  ARG  12           HB1      ARG  12  15.418  23.455  21.821
   83    HG2  ARG  12           HG2      ARG  12  15.255  21.018  22.456
   84    HG3  ARG  12           HG1      ARG  12  16.965  20.785  22.001
   85    HD2  ARG  12           HD2      ARG  12  17.777  22.149  23.790
   86    HD3  ARG  12           HD1      ARG  12  16.162  22.909  24.067
   87    HE   ARG  12           HE       ARG  12  15.318  20.617  24.770
   88   HH11  ARG  12          HH21      ARG  12  18.821  20.869  25.007
   89   HH12  ARG  12          HH22      ARG  12  18.837  20.318  26.647
   90   HH21  ARG  12          HH11      ARG  12  15.418  19.889  26.949
   91   HH22  ARG  12          HH12      ARG  12  16.979  19.803  27.722
   92    H    CYS  13           HN       CYS  13  14.578  21.053  18.156
   93    HA   CYS  13           HA       CYS  13  12.014  20.953  19.477
   94    HB2  CYS  13           HB2      CYS  13  12.394  19.535  16.847
   95    HB3  CYS  13           HB1      CYS  13  11.020  20.488  17.480
   96    H    CYS  14           HN       CYS  14  14.627  19.072  19.959
   97    HA   CYS  14           HA       CYS  14  13.949  16.710  18.727
   98    HB2  CYS  14           HB2      CYS  14  15.869  16.776  21.057
   99    HB3  CYS  14           HB1      CYS  14  15.946  15.844  19.531
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1  11.448  18.404  13.280
    2    H2   CYS   1           HT2      CYS   1  12.654  17.597  14.128
    3    H3   CYS   1           HT3      CYS   1  12.680  17.608  12.461
    4    HA   CYS   1           HA       CYS   1  13.105  19.971  12.438
    5    HB2  CYS   1           HB2      CYS   1  11.812  20.410  14.557
    6    HB3  CYS   1           HB1      CYS   1  13.067  19.551  15.465
    7    H    ASN   2           HN       ASN   2  15.317  20.925  13.499
    8    HA   ASN   2           HA       ASN   2  17.199  18.893  12.435
    9    HB2  ASN   2           HB2      ASN   2  18.262  21.627  13.101
   10    HB3  ASN   2           HB1      ASN   2  18.832  20.376  11.997
   11   HD21  ASN   2          HD21      ASN   2  17.931  23.307  11.197
   12   HD22  ASN   2          HD22      ASN   2  16.394  23.096  10.446
   13    H    CYS   3           HN       CYS   3  16.403  17.832  14.506
   14    HA   CYS   3           HA       CYS   3  18.280  18.158  16.689
   15    HB2  CYS   3           HB2      CYS   3  15.945  17.462  17.184
   16    HB3  CYS   3           HB1      CYS   3  16.137  16.045  16.149
   17    H    SER   4           HN       SER   4  19.758  18.077  14.518
   18    HA   SER   4           HA       SER   4  20.578  15.396  13.877
   19    HB2  SER   4           HB2      SER   4  22.194  16.619  12.312
   20    HB3  SER   4           HB1      SER   4  20.461  16.832  12.029
   21    HG   SER   4           HG       SER   4  21.663  18.735  11.942
   22    H    ARG   5           HN       ARG   5  22.783  14.648  14.183
   23    HA   ARG   5           HA       ARG   5  23.682  15.117  16.725
   24    HB2  ARG   5           HB2      ARG   5  23.913  13.038  15.548
   25    HB3  ARG   5           HB1      ARG   5  25.000  13.758  14.334
   26    HG2  ARG   5           HG2      ARG   5  26.737  14.108  16.069
   27    HG3  ARG   5           HG1      ARG   5  25.643  13.457  17.339
   28    HD2  ARG   5           HD2      ARG   5  25.616  11.229  16.267
   29    HD3  ARG   5           HD1      ARG   5  26.632  11.852  14.894
   30    HE   ARG   5           HE       ARG   5  28.175  12.524  17.053
   31   HH11  ARG   5          HH11      ARG   5  26.674   9.427  16.042
   32   HH12  ARG   5          HH12      ARG   5  27.730   8.460  16.989
   33   HH21  ARG   5          HH21      ARG   5  29.775  11.148  18.068
   34   HH22  ARG   5          HH22      ARG   5  29.573   9.429  17.954
   35    H    TRP   6           HN       TRP   6  24.919  16.529  13.688
   36    HA   TRP   6           HA       TRP   6  26.671  18.256  15.212
   37    HB2  TRP   6           HB2      TRP   6  26.578  17.303  12.425
   38    HB3  TRP   6           HB1      TRP   6  26.776  19.069  12.544
   39    HD1  TRP   6           HD1      TRP   6  29.072  16.110  12.712
   40    HE1  TRP   6           HE1      TRP   6  31.358  17.064  13.410
   41    HE3  TRP   6           HE3      TRP   6  27.525  20.620  14.365
   42    HZ2  TRP   6           HZ2      TRP   6  32.336  19.433  14.626
   43    HZ3  TRP   6           HZ3      TRP   6  29.152  22.200  15.273
   44    HH2  TRP   6           HH2      TRP   6  31.532  21.614  15.418
   45    H    ALA   7           HN       ALA   7  24.027  18.671  16.040
   46    HA   ALA   7           HA       ALA   7  23.139  21.049  14.636
   47    HB1  ALA   7           HB1      ALA   7  21.450  19.510  15.323
   48    HB2  ALA   7           HB2      ALA   7  21.270  21.077  16.178
   49    HB3  ALA   7           HB3      ALA   7  21.964  19.637  17.051
   50    H    ARG   8           HN       ARG   8  24.673  22.582  14.925
   51    HA   ARG   8           HA       ARG   8  25.542  23.363  17.589
   52    HB2  ARG   8           HB2      ARG   8  26.952  24.965  16.563
   53    HB3  ARG   8           HB1      ARG   8  27.146  23.282  15.950
   54    HG2  ARG   8           HG2      ARG   8  26.194  23.780  13.821
   55    HG3  ARG   8           HG1      ARG   8  25.669  25.418  14.305
   56    HD2  ARG   8           HD2      ARG   8  28.550  24.540  14.688
   57    HD3  ARG   8           HD1      ARG   8  28.021  24.978  12.983
   58    HE   ARG   8           HE       ARG   8  27.067  27.111  14.429
   59   HH11  ARG   8          HH21      ARG   8  30.356  25.694  14.266
   60   HH12  ARG   8          HH22      ARG   8  31.129  27.209  14.545
   61   HH21  ARG   8          HH11      ARG   8  28.160  29.142  14.507
   62   HH22  ARG   8          HH12      ARG   8  29.856  29.165  14.396
   63    H    ASP   9           HN       ASP   9  23.534  24.353  15.001
   64    HA   ASP   9           HA       ASP   9  22.700  26.865  15.945
   65    HB2  ASP   9           HB2      ASP   9  21.479  24.875  13.946
   66    HB3  ASP   9           HB1      ASP   9  20.799  26.530  14.179
   67    H    HIS  10           HN       HIS  10  20.331  27.437  16.132
   68    HA   HIS  10           HA       HIS  10  19.654  26.305  18.668
   69    HB2  HIS  10           HB2      HIS  10  17.901  27.884  18.958
   70    HB3  HIS  10           HB1      HIS  10  19.351  28.758  18.473
   71    HD1  HIS  10           HD1      HIS  10  16.487  29.792  18.281
   72    HD2  HIS  10           HD2      HIS  10  18.776  28.416  15.048
   73    HE1  HIS  10           HE1      HIS  10  15.868  31.182  16.183
   74    H    SER  11           HN       SER  11  18.251  25.864  15.439
   75    HA   SER  11           HA       SER  11  15.790  24.893  16.383
   76    HB2  SER  11           HB2      SER  11  17.215  24.513  13.699
   77    HB3  SER  11           HB1      SER  11  15.512  24.039  14.025
   78    HG   SER  11           HG       SER  11  14.915  26.026  14.172
   79    H    ARG  12           HN       ARG  12  17.358  23.549  17.934
   80    HA   ARG  12           HA       ARG  12  17.727  20.854  16.824
   81    HB2  ARG  12           HB2      ARG  12  19.629  21.816  18.097
   82    HB3  ARG  12           HB1      ARG  12  18.550  21.861  19.537
   83    HG2  ARG  12           HG2      ARG  12  18.427  19.306  19.336
   84    HG3  ARG  12           HG1      ARG  12  19.506  19.420  17.902
   85    HD2  ARG  12           HD2      ARG  12  21.328  20.333  19.331
   86    HD3  ARG  12           HD1      ARG  12  20.242  20.364  20.768
   87    HE   ARG  12           HE       ARG  12  21.299  17.886  19.380
   88   HH11  ARG  12          HH21      ARG  12  18.997  19.069  21.887
   89   HH12  ARG  12          HH22      ARG  12  18.829  17.455  22.504
   90   HH21  ARG  12          HH11      ARG  12  21.119  15.981  20.330
   91   HH22  ARG  12          HH12      ARG  12  20.218  15.778  21.811
   92    H    CYS  13           HN       CYS  13  15.157  21.273  16.807
   93    HA   CYS  13           HA       CYS  13  13.917  20.985  19.299
   94    HB2  CYS  13           HB2      CYS  13  12.173  20.303  16.976
   95    HB3  CYS  13           HB1      CYS  13  11.866  21.263  18.444
   96    H    CYS  14           HN       CYS  14  14.680  19.043  20.266
   97    HA   CYS  14           HA       CYS  14  14.071  16.548  18.888
   98    HB2  CYS  14           HB2      CYS  14  15.312  16.858  21.638
   99    HB3  CYS  14           HB1      CYS  14  15.326  15.439  20.521
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1  13.058  17.335  14.288
    2    H2   CYS   1           HT2      CYS   1  13.076  17.106  12.615
    3    H3   CYS   1           HT3      CYS   1  11.761  17.842  13.345
    4    HA   CYS   1           HA       CYS   1  12.868  19.565  12.384
    5    HB2  CYS   1           HB2      CYS   1  12.364  19.520  15.047
    6    HB3  CYS   1           HB1      CYS   1  14.102  19.680  15.204
    7    H    ASN   2           HN       ASN   2  15.213  20.873  13.248
    8    HA   ASN   2           HA       ASN   2  17.214  19.131  11.883
    9    HB2  ASN   2           HB2      ASN   2  18.005  21.968  12.679
   10    HB3  ASN   2           HB1      ASN   2  18.820  20.741  11.757
   11   HD21  ASN   2          HD21      ASN   2  15.829  22.907  11.525
   12   HD22  ASN   2          HD22      ASN   2  16.043  22.923   9.824
   13    H    CYS   3           HN       CYS   3  16.545  17.827  14.011
   14    HA   CYS   3           HA       CYS   3  18.635  18.209  15.991
   15    HB2  CYS   3           HB2      CYS   3  16.315  17.789  16.731
   16    HB3  CYS   3           HB1      CYS   3  16.379  16.188  15.962
   17    H    SER   4           HN       SER   4  20.054  17.656  13.809
   18    HA   SER   4           HA       SER   4  20.703  14.825  13.888
   19    HB2  SER   4           HB2      SER   4  22.201  17.101  12.506
   20    HB3  SER   4           HB1      SER   4  22.533  15.346  12.349
   21    HG   SER   4           HG       SER   4  21.305  15.891  10.674
   22    H    ARG   5           HN       ARG   5  23.096  14.312  14.543
   23    HA   ARG   5           HA       ARG   5  23.540  15.298  17.090
   24    HB2  ARG   5           HB2      ARG   5  25.322  13.695  15.223
   25    HB3  ARG   5           HB1      ARG   5  25.917  14.258  16.788
   26    HG2  ARG   5           HG2      ARG   5  24.333  13.029  18.071
   27    HG3  ARG   5           HG1      ARG   5  23.342  12.615  16.643
   28    HD2  ARG   5           HD2      ARG   5  25.096  11.122  15.793
   29    HD3  ARG   5           HD1      ARG   5  26.239  11.627  17.099
   30    HE   ARG   5           HE       ARG   5  23.600  10.159  17.480
   31   HH11  ARG   5          HH11      ARG   5  26.797  11.041  18.949
   32   HH12  ARG   5          HH12      ARG   5  26.404  10.183  20.390
   33   HH21  ARG   5          HH21      ARG   5  23.098   9.445  19.558
   34   HH22  ARG   5          HH22      ARG   5  24.299   9.485  20.789
   35    H    TRP   6           HN       TRP   6  25.299  16.242  14.098
   36    HA   TRP   6           HA       TRP   6  26.478  18.408  15.546
   37    HB2  TRP   6           HB2      TRP   6  26.801  17.328  12.755
   38    HB3  TRP   6           HB1      TRP   6  27.045  19.087  12.994
   39    HD1  TRP   6           HD1      TRP   6  29.291  16.129  13.381
   40    HE1  TRP   6           HE1      TRP   6  31.336  16.940  14.729
   41    HE3  TRP   6           HE3      TRP   6  27.421  20.527  15.032
   42    HZ2  TRP   6           HZ2      TRP   6  32.094  19.259  16.151
   43    HZ3  TRP   6           HZ3      TRP   6  28.861  22.034  16.312
   44    HH2  TRP   6           HH2      TRP   6  31.155  21.402  16.891
   45    H    ALA   7           HN       ALA   7  23.822  18.608  16.032
   46    HA   ALA   7           HA       ALA   7  22.957  20.932  14.548
   47    HB1  ALA   7           HB1      ALA   7  21.149  21.044  16.239
   48    HB2  ALA   7           HB2      ALA   7  21.866  19.596  17.075
   49    HB3  ALA   7           HB3      ALA   7  21.232  19.469  15.379
   50    H    ARG   8           HN       ARG   8  24.529  22.511  14.780
   51    HA   ARG   8           HA       ARG   8  25.344  23.335  17.450
   52    HB2  ARG   8           HB2      ARG   8  26.873  24.673  16.426
   53    HB3  ARG   8           HB1      ARG   8  26.811  23.175  15.444
   54    HG2  ARG   8           HG2      ARG   8  25.564  24.325  13.631
   55    HG3  ARG   8           HG1      ARG   8  25.468  25.825  14.641
   56    HD2  ARG   8           HD2      ARG   8  28.009  25.583  14.890
   57    HD3  ARG   8           HD1      ARG   8  27.986  24.454  13.482
   58    HE   ARG   8           HE       ARG   8  27.158  26.229  12.028
   59   HH11  ARG   8          HH11      ARG   8  27.077  27.586  15.335
   60   HH12  ARG   8          HH12      ARG   8  27.547  29.157  14.799
   61   HH21  ARG   8          HH21      ARG   8  28.020  28.369  11.456
   62   HH22  ARG   8          HH22      ARG   8  27.920  29.600  12.686
   63    H    ASP   9           HN       ASP   9  23.196  24.116  14.883
   64    HA   ASP   9           HA       ASP   9  22.527  26.727  15.616
   65    HB2  ASP   9           HB2      ASP   9  21.023  24.633  13.942
   66    HB3  ASP   9           HB1      ASP   9  20.484  26.351  14.051
   67    H    HIS  10           HN       HIS  10  20.412  27.574  16.122
   68    HA   HIS  10           HA       HIS  10  19.733  26.723  18.675
   69    HB2  HIS  10           HB2      HIS  10  18.045  28.716  17.113
   70    HB3  HIS  10           HB1      HIS  10  18.317  28.570  18.883
   71    HD1  HIS  10           HD1      HIS  10  18.750  31.221  17.660
   72    HD2  HIS  10           HD2      HIS  10  21.834  28.444  18.239
   73    HE1  HIS  10           HE1      HIS  10  20.965  32.515  18.016
   74    H    SER  11           HN       SER  11  18.386  25.785  15.650
   75    HA   SER  11           HA       SER  11  15.857  24.940  16.544
   76    HB2  SER  11           HB2      SER  11  15.924  23.716  14.268
   77    HB3  SER  11           HB1      SER  11  16.089  25.489  14.260
   78    HG   SER  11           HG       SER  11  18.255  23.659  14.119
   79    H    ARG  12           HN       ARG  12  17.243  23.935  18.449
   80    HA   ARG  12           HA       ARG  12  17.806  21.106  17.888
   81    HB2  ARG  12           HB2      ARG  12  19.387  22.247  19.424
   82    HB3  ARG  12           HB1      ARG  12  17.987  22.538  20.520
   83    HG2  ARG  12           HG2      ARG  12  17.767  20.007  20.730
   84    HG3  ARG  12           HG1      ARG  12  19.186  19.832  19.649
   85    HD2  ARG  12           HD2      ARG  12  20.623  20.947  21.377
   86    HD3  ARG  12           HD1      ARG  12  19.158  21.273  22.379
   87    HE   ARG  12           HE       ARG  12  18.806  18.835  22.628
   88   HH11  ARG  12          HH11      ARG  12  22.085  19.478  21.326
   89   HH12  ARG  12          HH12      ARG  12  22.745  18.162  22.236
   90   HH21  ARG  12          HH21      ARG  12  19.691  17.278  23.749
   91   HH22  ARG  12          HH22      ARG  12  21.425  17.050  23.836
   92    H    CYS  13           HN       CYS  13  15.387  21.194  17.210
   93    HA   CYS  13           HA       CYS  13  13.569  21.387  19.358
   94    HB2  CYS  13           HB2      CYS  13  12.482  20.459  16.743
   95    HB3  CYS  13           HB1      CYS  13  11.907  21.760  17.844
   96    H    CYS  14           HN       CYS  14  14.985  19.199  20.157
   97    HA   CYS  14           HA       CYS  14  14.272  16.880  18.653
   98    HB2  CYS  14           HB2      CYS  14  15.800  16.888  21.272
   99    HB3  CYS  14           HB1      CYS  14  15.808  15.667  19.954
  Start of MODEL    7
    1    H1   CYS   1           HT1      CYS   1  11.581  15.481  12.476
    2    H2   CYS   1           HT2      CYS   1  10.437  16.114  13.524
    3    H3   CYS   1           HT3      CYS   1  11.778  15.345  14.140
    4    HA   CYS   1           HA       CYS   1  11.847  17.759  12.401
    5    HB2  CYS   1           HB2      CYS   1  10.625  18.102  14.598
    6    HB3  CYS   1           HB1      CYS   1  12.148  17.817  15.437
    7    H    ASN   2           HN       ASN   2  13.751  18.824  12.109
    8    HA   ASN   2           HA       ASN   2  15.808  16.691  11.839
    9    HB2  ASN   2           HB2      ASN   2  16.281  19.290  10.359
   10    HB3  ASN   2           HB1      ASN   2  16.773  17.655  10.063
   11   HD21  ASN   2          HD21      ASN   2  13.802  19.797   9.867
   12   HD22  ASN   2          HD22      ASN   2  13.167  18.795   8.610
   13    H    CYS   3           HN       CYS   3  15.924  17.122  14.278
   14    HA   CYS   3           HA       CYS   3  17.839  19.216  14.944
   15    HB2  CYS   3           HB2      CYS   3  16.106  18.826  16.594
   16    HB3  CYS   3           HB1      CYS   3  16.479  17.109  16.646
   17    H    SER   4           HN       SER   4  19.568  18.414  13.396
   18    HA   SER   4           HA       SER   4  20.945  16.067  14.389
   19    HB2  SER   4           HB2      SER   4  21.785  17.977  12.182
   20    HB3  SER   4           HB1      SER   4  22.538  16.401  12.606
   21    HG   SER   4           HG       SER   4  20.469  15.449  12.145
   22    H    ARG   5           HN       ARG   5  22.094  16.229  16.143
   23    HA   ARG   5           HA       ARG   5  22.618  18.661  17.384
   24    HB2  ARG   5           HB2      ARG   5  22.036  16.625  18.545
   25    HB3  ARG   5           HB1      ARG   5  23.532  15.825  17.967
   26    HG2  ARG   5           HG2      ARG   5  24.920  17.246  19.359
   27    HG3  ARG   5           HG1      ARG   5  23.548  18.310  19.796
   28    HD2  ARG   5           HD2      ARG   5  23.634  15.300  20.536
   29    HD3  ARG   5           HD1      ARG   5  24.292  16.631  21.563
   30    HE   ARG   5           HE       ARG   5  22.144  17.521  21.893
   31   HH11  ARG   5          HH11      ARG   5  21.820  14.497  19.946
   32   HH12  ARG   5          HH12      ARG   5  20.088  14.528  20.087
   33   HH21  ARG   5          HH21      ARG   5  19.917  17.348  22.158
   34   HH22  ARG   5          HH22      ARG   5  19.009  16.056  21.440
   35    H    TRP   6           HN       TRP   6  24.751  16.553  15.480
   36    HA   TRP   6           HA       TRP   6  27.132  17.496  16.382
   37    HB2  TRP   6           HB2      TRP   6  26.221  16.085  13.829
   38    HB3  TRP   6           HB1      TRP   6  27.857  16.767  13.889
   39    HD1  TRP   6           HD1      TRP   6  26.116  13.687  15.462
   40    HE1  TRP   6           HE1      TRP   6  27.803  12.710  17.150
   41    HE3  TRP   6           HE3      TRP   6  29.571  17.348  15.379
   42    HZ2  TRP   6           HZ2      TRP   6  30.450  13.210  17.983
   43    HZ3  TRP   6           HZ3      TRP   6  31.672  17.065  16.653
   44    HH2  TRP   6           HH2      TRP   6  32.084  15.034  17.941
   45    H    ALA   7           HN       ALA   7  25.084  19.308  14.152
   46    HA   ALA   7           HA       ALA   7  27.426  20.666  13.126
   47    HB1  ALA   7           HB1      ALA   7  25.750  20.020  11.550
   48    HB2  ALA   7           HB2      ALA   7  25.805  21.803  11.648
   49    HB3  ALA   7           HB3      ALA   7  24.451  20.894  12.457
   50    H    ARG   8           HN       ARG   8  24.786  22.807  13.274
   51    HA   ARG   8           HA       ARG   8  25.985  24.383  15.329
   52    HB2  ARG   8           HB2      ARG   8  23.363  24.759  13.702
   53    HB3  ARG   8           HB1      ARG   8  24.272  25.957  14.631
   54    HG2  ARG   8           HG2      ARG   8  26.182  25.799  13.053
   55    HG3  ARG   8           HG1      ARG   8  25.310  24.592  12.055
   56    HD2  ARG   8           HD2      ARG   8  24.040  27.227  12.882
   57    HD3  ARG   8           HD1      ARG   8  25.219  27.206  11.468
   58    HE   ARG   8           HE       ARG   8  23.164  25.119  11.236
   59   HH11  ARG   8          HH21      ARG   8  23.579  28.669  10.747
   60   HH12  ARG   8          HH22      ARG   8  22.267  28.739   9.620
   61   HH21  ARG   8          HH11      ARG   8  21.546  25.282   9.712
   62   HH22  ARG   8          HH12      ARG   8  21.038  26.827   9.083
   63    H    ASP   9           HN       ASP   9  24.598  25.411  16.931
   64    HA   ASP   9           HA       ASP   9  23.555  23.298  18.587
   65    HB2  ASP   9           HB2      ASP   9  23.794  26.332  19.093
   66    HB3  ASP   9           HB1      ASP   9  23.216  25.140  20.308
   67    H    HIS  10           HN       HIS  10  22.277  26.167  17.056
   68    HA   HIS  10           HA       HIS  10  20.242  26.856  18.421
   69    HB2  HIS  10           HB2      HIS  10  20.004  26.623  15.376
   70    HB3  HIS  10           HB1      HIS  10  19.134  27.802  16.425
   71    HD1  HIS  10           HD1      HIS  10  21.152  29.216  18.011
   72    HD2  HIS  10           HD2      HIS  10  21.977  27.903  14.099
   73    HE1  HIS  10           HE1      HIS  10  22.940  30.759  16.989
   74    H    SER  11           HN       SER  11  18.816  25.805  19.536
   75    HA   SER  11           HA       SER  11  17.944  23.344  19.213
   76    HB2  SER  11           HB2      SER  11  16.501  25.635  20.567
   77    HB3  SER  11           HB1      SER  11  16.123  23.890  20.820
   78    HG   SER  11           HG       SER  11  17.851  25.273  22.086
   79    H    ARG  12           HN       ARG  12  17.040  22.670  17.219
   80    HA   ARG  12           HA       ARG  12  14.493  23.751  16.417
   81    HB2  ARG  12           HB2      ARG  12  15.689  21.161  15.302
   82    HB3  ARG  12           HB1      ARG  12  14.545  22.275  14.540
   83    HG2  ARG  12           HG2      ARG  12  16.283  23.911  14.042
   84    HG3  ARG  12           HG1      ARG  12  17.414  23.123  15.154
   85    HD2  ARG  12           HD2      ARG  12  17.636  21.171  13.783
   86    HD3  ARG  12           HD1      ARG  12  16.317  21.725  12.655
   87    HE   ARG  12           HE       ARG  12  18.290  23.824  12.844
   88   HH11  ARG  12          HH11      ARG  12  18.346  20.439  11.737
   89   HH12  ARG  12          HH12      ARG  12  19.374  20.799  10.389
   90   HH21  ARG  12          HH21      ARG  12  19.361  24.289  10.933
   91   HH22  ARG  12          HH22      ARG  12  20.145  23.012  10.045
   92    H    CYS  13           HN       CYS  13  12.853  21.225  16.087
   93    HA   CYS  13           HA       CYS  13  12.102  21.052  18.651
   94    HB2  CYS  13           HB2      CYS  13  11.153  18.924  16.768
   95    HB3  CYS  13           HB1      CYS  13  10.243  20.045  17.843
   96    H    CYS  14           HN       CYS  14  14.384  20.297  19.474
   97    HA   CYS  14           HA       CYS  14  15.191  17.658  18.816
   98    HB2  CYS  14           HB2      CYS  14  16.183  19.422  21.107
   99    HB3  CYS  14           HB1      CYS  14  17.001  17.992  20.362
  Start of MODEL    8
    1    H1   CYS   1           HT1      CYS   1  11.563  18.187  12.852
    2    H2   CYS   1           HT2      CYS   1  12.535  17.524  14.059
    3    H3   CYS   1           HT3      CYS   1  12.910  17.286  12.458
    4    HA   CYS   1           HA       CYS   1  13.083  19.828  12.317
    5    HB2  CYS   1           HB2      CYS   1  12.008  20.132  14.546
    6    HB3  CYS   1           HB1      CYS   1  13.319  19.254  15.326
    7    H    ASN   2           HN       ASN   2  15.495  20.662  13.354
    8    HA   ASN   2           HA       ASN   2  17.183  18.657  11.905
    9    HB2  ASN   2           HB2      ASN   2  18.963  20.325  11.868
   10    HB3  ASN   2           HB1      ASN   2  17.625  20.615  10.790
   11   HD21  ASN   2          HD22      ASN   2  19.238  21.551  13.759
   12   HD22  ASN   2          HD21      ASN   2  18.610  23.173  13.817
   13    H    CYS   3           HN       CYS   3  16.530  17.479  14.052
   14    HA   CYS   3           HA       CYS   3  18.414  18.041  16.197
   15    HB2  CYS   3           HB2      CYS   3  16.116  17.474  16.819
   16    HB3  CYS   3           HB1      CYS   3  16.219  15.925  15.963
   17    H    SER   4           HN       SER   4  19.952  17.695  14.170
   18    HA   SER   4           HA       SER   4  20.726  14.912  13.967
   19    HB2  SER   4           HB2      SER   4  22.143  17.206  12.567
   20    HB3  SER   4           HB1      SER   4  22.049  15.480  12.110
   21    HG   SER   4           HG       SER   4  19.707  15.886  11.996
   22    H    ARG   5           HN       ARG   5  23.233  14.551  14.105
   23    HA   ARG   5           HA       ARG   5  23.855  15.026  16.802
   24    HB2  ARG   5           HB2      ARG   5  25.459  13.834  14.500
   25    HB3  ARG   5           HB1      ARG   5  26.153  14.027  16.111
   26    HG2  ARG   5           HG2      ARG   5  24.697  12.531  17.167
   27    HG3  ARG   5           HG1      ARG   5  23.479  12.533  15.872
   28    HD2  ARG   5           HD2      ARG   5  24.859  11.237  14.361
   29    HD3  ARG   5           HD1      ARG   5  26.323  11.486  15.409
   30    HE   ARG   5           HE       ARG   5  24.177  10.239  16.963
   31   HH11  ARG   5          HH11      ARG   5  26.696   9.500  14.562
   32   HH12  ARG   5          HH12      ARG   5  27.131   8.013  15.343
   33   HH21  ARG   5          HH21      ARG   5  24.708   8.349  17.904
   34   HH22  ARG   5          HH22      ARG   5  25.824   7.222  17.157
   35    H    TRP   6           HN       TRP   6  25.195  16.502  13.816
   36    HA   TRP   6           HA       TRP   6  26.503  18.471  15.485
   37    HB2  TRP   6           HB2      TRP   6  26.675  17.728  12.580
   38    HB3  TRP   6           HB1      TRP   6  26.845  19.462  12.967
   39    HD1  TRP   6           HD1      TRP   6  29.266  16.722  12.773
   40    HE1  TRP   6           HE1      TRP   6  31.417  17.605  13.892
   41    HE3  TRP   6           HE3      TRP   6  27.281  20.693  15.163
   42    HZ2  TRP   6           HZ2      TRP   6  32.160  19.811  15.508
   43    HZ3  TRP   6           HZ3      TRP   6  28.772  22.232  16.382
   44    HH2  TRP   6           HH2      TRP   6  31.170  21.798  16.539
   45    H    ALA   7           HN       ALA   7  23.794  18.586  16.159
   46    HA   ALA   7           HA       ALA   7  22.753  20.825  14.677
   47    HB1  ALA   7           HB1      ALA   7  21.172  19.264  15.608
   48    HB2  ALA   7           HB2      ALA   7  20.964  20.896  16.338
   49    HB3  ALA   7           HB3      ALA   7  21.783  19.567  17.278
   50    H    ARG   8           HN       ARG   8  24.509  22.289  14.781
   51    HA   ARG   8           HA       ARG   8  25.388  23.161  17.387
   52    HB2  ARG   8           HB2      ARG   8  27.143  24.148  16.412
   53    HB3  ARG   8           HB1      ARG   8  26.754  22.780  15.327
   54    HG2  ARG   8           HG2      ARG   8  25.793  24.262  13.655
   55    HG3  ARG   8           HG1      ARG   8  25.976  25.709  14.699
   56    HD2  ARG   8           HD2      ARG   8  28.275  23.818  14.133
   57    HD3  ARG   8           HD1      ARG   8  27.928  25.218  12.968
   58    HE   ARG   8           HE       ARG   8  28.051  26.189  15.695
   59   HH11  ARG   8          HH11      ARG   8  30.230  25.050  13.117
   60   HH12  ARG   8          HH12      ARG   8  31.657  25.557  13.919
   61   HH21  ARG   8          HH21      ARG   8  29.985  26.955  16.710
   62   HH22  ARG   8          HH22      ARG   8  31.521  26.668  15.956
   63    H    ASP   9           HN       ASP   9  23.314  24.211  14.831
   64    HA   ASP   9           HA       ASP   9  22.851  26.839  15.722
   65    HB2  ASP   9           HB2      ASP   9  21.077  26.930  14.030
   66    HB3  ASP   9           HB1      ASP   9  22.514  26.089  13.371
   67    H    HIS  10           HN       HIS  10  20.363  27.475  16.015
   68    HA   HIS  10           HA       HIS  10  20.039  26.420  18.714
   69    HB2  HIS  10           HB2      HIS  10  18.642  28.898  17.615
   70    HB3  HIS  10           HB1      HIS  10  18.917  28.401  19.307
   71    HD1  HIS  10           HD1      HIS  10  19.915  31.084  18.329
   72    HD2  HIS  10           HD2      HIS  10  22.294  27.654  18.708
   73    HE1  HIS  10           HE1      HIS  10  22.337  31.824  18.866
   74    H    SER  11           HN       SER  11  18.613  25.749  15.773
   75    HA   SER  11           HA       SER  11  15.913  25.527  16.733
   76    HB2  SER  11           HB2      SER  11  16.480  26.191  14.385
   77    HB3  SER  11           HB1      SER  11  17.047  24.527  14.090
   78    HG   SER  11           HG       SER  11  15.038  23.809  14.296
   79    H    ARG  12           HN       ARG  12  16.857  24.153  18.533
   80    HA   ARG  12           HA       ARG  12  17.464  21.417  17.681
   81    HB2  ARG  12           HB2      ARG  12  19.030  22.493  19.275
   82    HB3  ARG  12           HB1      ARG  12  17.662  22.540  20.458
   83    HG2  ARG  12           HG2      ARG  12  17.668  19.983  20.350
   84    HG3  ARG  12           HG1      ARG  12  18.902  20.101  19.051
   85    HD2  ARG  12           HD2      ARG  12  20.354  21.336  20.911
   86    HD3  ARG  12           HD1      ARG  12  19.154  20.639  22.067
   87    HE   ARG  12           HE       ARG  12  19.713  18.366  21.231
   88   HH11  ARG  12          HH11      ARG  12  22.180  20.804  20.436
   89   HH12  ARG  12          HH12      ARG  12  23.079  19.678  19.452
   90   HH21  ARG  12          HH21      ARG  12  21.140  16.902  19.970
   91   HH22  ARG  12          HH22      ARG  12  22.541  17.633  19.244
   92    H    CYS  13           HN       CYS  13  15.013  21.393  17.087
   93    HA   CYS  13           HA       CYS  13  13.295  21.146  19.314
   94    HB2  CYS  13           HB2      CYS  13  12.163  20.193  16.722
   95    HB3  CYS  13           HB1      CYS  13  11.484  21.240  18.004
   96    H    CYS  14           HN       CYS  14  14.749  19.253  20.233
   97    HA   CYS  14           HA       CYS  14  14.537  16.811  18.727
   98    HB2  CYS  14           HB2      CYS  14  15.893  17.338  21.407
   99    HB3  CYS  14           HB1      CYS  14  15.944  15.813  20.435
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1  11.198  14.941  14.905
    2    H2   CYS   1           HT2      CYS   1  10.806  16.188  15.990
    3    H3   CYS   1           HT3      CYS   1  12.291  15.393  16.109
    4    HA   CYS   1           HA       CYS   1  11.494  16.952  13.746
    5    HB2  CYS   1           HB2      CYS   1  11.682  18.381  15.768
    6    HB3  CYS   1           HB1      CYS   1  13.269  17.729  16.128
    7    H    ASN   2           HN       ASN   2  13.276  17.361  12.327
    8    HA   ASN   2           HA       ASN   2  15.217  15.095  12.265
    9    HB2  ASN   2           HB2      ASN   2  15.468  17.243  10.136
   10    HB3  ASN   2           HB1      ASN   2  16.046  15.600  10.237
   11   HD21  ASN   2          HD21      ASN   2  12.793  17.359  10.184
   12   HD22  ASN   2          HD22      ASN   2  12.271  16.299   8.921
   13    H    CYS   3           HN       CYS   3  15.874  15.894  14.453
   14    HA   CYS   3           HA       CYS   3  17.742  18.110  14.459
   15    HB2  CYS   3           HB2      CYS   3  16.563  17.820  16.540
   16    HB3  CYS   3           HB1      CYS   3  16.971  16.117  16.604
   17    H    SER   4           HN       SER   4  19.111  17.348  12.614
   18    HA   SER   4           HA       SER   4  20.774  15.108  13.112
   19    HB2  SER   4           HB2      SER   4  21.313  17.523  11.301
   20    HB3  SER   4           HB1      SER   4  22.177  15.946  11.282
   21    HG   SER   4           HG       SER   4  20.455  16.249   9.719
   22    H    ARG   5           HN       ARG   5  22.923  15.121  13.858
   23    HA   ARG   5           HA       ARG   5  22.782  16.460  16.208
   24    HB2  ARG   5           HB2      ARG   5  23.585  14.183  15.988
   25    HB3  ARG   5           HB1      ARG   5  24.979  14.718  15.016
   26    HG2  ARG   5           HG2      ARG   5  25.671  14.069  17.168
   27    HG3  ARG   5           HG1      ARG   5  25.955  15.816  17.045
   28    HD2  ARG   5           HD2      ARG   5  24.274  16.331  18.682
   29    HD3  ARG   5           HD1      ARG   5  23.408  14.741  18.416
   30    HE   ARG   5           HE       ARG   5  26.041  14.087  19.207
   31   HH11  ARG   5          HH11      ARG   5  23.544  16.135  20.767
   32   HH12  ARG   5          HH12      ARG   5  24.168  15.825  22.350
   33   HH21  ARG   5          HH21      ARG   5  26.369  13.271  21.284
   34   HH22  ARG   5          HH22      ARG   5  25.645  14.081  22.655
   35    H    TRP   6           HN       TRP   6  25.226  17.202  13.655
   36    HA   TRP   6           HA       TRP   6  26.850  18.689  15.116
   37    HB2  TRP   6           HB2      TRP   6  26.069  18.809  12.188
   38    HB3  TRP   6           HB1      TRP   6  27.010  20.175  12.872
   39    HD1  TRP   6           HD1      TRP   6  28.020  16.905  11.390
   40    HE1  TRP   6           HE1      TRP   6  30.487  16.496  12.114
   41    HE3  TRP   6           HE3      TRP   6  28.455  20.565  14.846
   42    HZ2  TRP   6           HZ2      TRP   6  32.267  17.498  14.019
   43    HZ3  TRP   6           HZ3      TRP   6  30.549  20.827  16.065
   44    HH2  TRP   6           HH2      TRP   6  32.424  19.296  15.695
   45    H    ALA   7           HN       ALA   7  23.773  20.080  13.901
   46    HA   ALA   7           HA       ALA   7  24.437  22.605  14.987
   47    HB1  ALA   7           HB1      ALA   7  22.838  22.364  13.183
   48    HB2  ALA   7           HB2      ALA   7  22.111  23.197  14.606
   49    HB3  ALA   7           HB3      ALA   7  21.702  21.458  14.268
   50    H    ARG   8           HN       ARG   8  25.202  22.180  17.060
   51    HA   ARG   8           HA       ARG   8  23.630  20.993  19.098
   52    HB2  ARG   8           HB2      ARG   8  25.479  21.124  20.406
   53    HB3  ARG   8           HB1      ARG   8  26.118  21.103  18.729
   54    HG2  ARG   8           HG2      ARG   8  26.510  23.517  18.797
   55    HG3  ARG   8           HG1      ARG   8  25.895  23.650  20.479
   56    HD2  ARG   8           HD2      ARG   8  27.928  21.563  19.705
   57    HD3  ARG   8           HD1      ARG   8  28.555  23.250  20.096
   58    HE   ARG   8           HE       ARG   8  27.182  22.905  22.328
   59   HH11  ARG   8          HH21      ARG   8  29.237  20.372  20.941
   60   HH12  ARG   8          HH22      ARG   8  28.970  19.312  22.278
   61   HH21  ARG   8          HH11      ARG   8  26.514  21.313  23.764
   62   HH22  ARG   8          HH12      ARG   8  27.304  19.764  23.783
   63    H    ASP   9           HN       ASP   9  23.951  24.034  17.708
   64    HA   ASP   9           HA       ASP   9  23.047  25.705  19.805
   65    HB2  ASP   9           HB2      ASP   9  22.990  27.471  18.090
   66    HB3  ASP   9           HB1      ASP   9  24.463  26.464  17.926
   67    H    HIS  10           HN       HIS  10  21.125  27.242  19.280
   68    HA   HIS  10           HA       HIS  10  18.887  25.471  19.598
   69    HB2  HIS  10           HB2      HIS  10  18.705  28.513  19.714
   70    HB3  HIS  10           HB1      HIS  10  17.574  27.249  20.298
   71    HD1  HIS  10           HD1      HIS  10  18.290  29.204  22.347
   72    HD2  HIS  10           HD2      HIS  10  20.472  25.667  21.764
   73    HE1  HIS  10           HE1      HIS  10  19.275  28.465  24.620
   74    H    SER  11           HN       SER  11  19.947  25.901  16.776
   75    HA   SER  11           HA       SER  11  17.761  27.126  15.418
   76    HB2  SER  11           HB2      SER  11  19.932  27.009  14.357
   77    HB3  SER  11           HB1      SER  11  19.881  25.214  14.343
   78    HG   SER  11           HG       SER  11  19.201  26.024  12.347
   79    H    ARG  12           HN       ARG  12  18.692  23.734  15.751
   80    HA   ARG  12           HA       ARG  12  16.193  23.038  14.405
   81    HB2  ARG  12           HB2      ARG  12  18.471  21.904  13.737
   82    HB3  ARG  12           HB1      ARG  12  18.124  20.899  15.164
   83    HG2  ARG  12           HG2      ARG  12  17.186  19.773  13.194
   84    HG3  ARG  12           HG1      ARG  12  15.757  20.642  13.833
   85    HD2  ARG  12           HD2      ARG  12  16.613  22.595  12.292
   86    HD3  ARG  12           HD1      ARG  12  17.674  21.374  11.510
   87    HE   ARG  12           HE       ARG  12  15.770  20.308  10.538
   88   HH11  ARG  12          HH21      ARG  12  14.534  23.056  12.445
   89   HH12  ARG  12          HH22      ARG  12  12.902  22.590  12.184
   90   HH21  ARG  12          HH11      ARG  12  13.769  20.185   9.809
   91   HH22  ARG  12          HH12      ARG  12  12.412  20.950  10.609
   92    H    CYS  13           HN       CYS  13  14.845  21.100  15.445
   93    HA   CYS  13           HA       CYS  13  14.060  22.314  17.777
   94    HB2  CYS  13           HB2      CYS  13  12.788  19.687  17.048
   95    HB3  CYS  13           HB1      CYS  13  12.059  21.236  17.547
   96    H    CYS  14           HN       CYS  14  16.573  21.051  18.439
   97    HA   CYS  14           HA       CYS  14  16.179  18.407  19.222
   98    HB2  CYS  14           HB2      CYS  14  18.477  20.237  20.012
   99    HB3  CYS  14           HB1      CYS  14  18.489  18.439  19.888
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1  11.783  16.044  15.451
    2    H2   CYS   1           HT2      CYS   1  11.721  15.261  13.985
    3    H3   CYS   1           HT3      CYS   1  10.455  16.280  14.443
    4    HA   CYS   1           HA       CYS   1  11.604  17.553  12.937
    5    HB2  CYS   1           HB2      CYS   1  10.975  18.592  15.151
    6    HB3  CYS   1           HB1      CYS   1  12.577  18.184  15.771
    7    H    ASN   2           HN       ASN   2  13.670  18.688  12.330
    8    HA   ASN   2           HA       ASN   2  15.436  16.387  11.698
    9    HB2  ASN   2           HB2      ASN   2  15.996  19.078  10.390
   10    HB3  ASN   2           HB1      ASN   2  16.668  17.490  10.147
   11   HD21  ASN   2          HD21      ASN   2  13.387  19.137   9.949
   12   HD22  ASN   2          HD22      ASN   2  13.021  18.201   8.524
   13    H    CYS   3           HN       CYS   3  15.950  16.180  13.938
   14    HA   CYS   3           HA       CYS   3  17.967  17.947  15.033
   15    HB2  CYS   3           HB2      CYS   3  16.294  17.003  16.599
   16    HB3  CYS   3           HB1      CYS   3  16.680  15.377  16.084
   17    H    SER   4           HN       SER   4  19.673  17.644  13.272
   18    HA   SER   4           HA       SER   4  20.869  15.093  13.083
   19    HB2  SER   4           HB2      SER   4  22.623  16.490  11.831
   20    HB3  SER   4           HB1      SER   4  20.956  16.631  11.224
   21    HG   SER   4           HG       SER   4  22.004  18.646  11.488
   22    H    ARG   5           HN       ARG   5  23.092  14.644  13.876
   23    HA   ARG   5           HA       ARG   5  23.384  15.233  16.527
   24    HB2  ARG   5           HB2      ARG   5  24.339  13.247  15.587
   25    HB3  ARG   5           HB1      ARG   5  25.379  14.181  14.481
   26    HG2  ARG   5           HG2      ARG   5  26.603  15.153  16.446
   27    HG3  ARG   5           HG1      ARG   5  25.580  14.169  17.550
   28    HD2  ARG   5           HD2      ARG   5  26.587  12.080  16.665
   29    HD3  ARG   5           HD1      ARG   5  27.455  13.006  15.383
   30    HE   ARG   5           HE       ARG   5  28.737  14.179  17.084
   31   HH11  ARG   5          HH11      ARG   5  26.954  11.456  18.567
   32   HH12  ARG   5          HH12      ARG   5  27.507  11.847  20.134
   33   HH21  ARG   5          HH21      ARG   5  29.530  14.552  19.200
   34   HH22  ARG   5          HH22      ARG   5  28.782  13.765  20.517
   35    H    TRP   6           HN       TRP   6  24.962  16.868  13.756
   36    HA   TRP   6           HA       TRP   6  26.469  18.541  15.500
   37    HB2  TRP   6           HB2      TRP   6  26.399  18.053  12.534
   38    HB3  TRP   6           HB1      TRP   6  26.773  19.708  13.053
   39    HD1  TRP   6           HD1      TRP   6  28.771  16.476  12.845
   40    HE1  TRP   6           HE1      TRP   6  30.996  16.942  14.059
   41    HE3  TRP   6           HE3      TRP   6  27.521  20.820  15.078
   42    HZ2  TRP   6           HZ2      TRP   6  32.155  19.081  15.519
   43    HZ3  TRP   6           HZ3      TRP   6  29.259  22.097  16.299
   44    HH2  TRP   6           HH2      TRP   6  31.524  21.223  16.514
   45    H    ALA   7           HN       ALA   7  24.037  18.925  16.477
   46    HA   ALA   7           HA       ALA   7  23.005  21.368  15.359
   47    HB1  ALA   7           HB1      ALA   7  22.234  19.833  17.898
   48    HB2  ALA   7           HB2      ALA   7  21.541  19.582  16.255
   49    HB3  ALA   7           HB3      ALA   7  21.311  21.171  17.090
   50    H    ARG   8           HN       ARG   8  25.087  22.598  15.604
   51    HA   ARG   8           HA       ARG   8  25.962  23.310  18.192
   52    HB2  ARG   8           HB2      ARG   8  27.025  25.238  17.162
   53    HB3  ARG   8           HB1      ARG   8  27.529  23.620  16.658
   54    HG2  ARG   8           HG2      ARG   8  26.842  23.865  14.454
   55    HG3  ARG   8           HG1      ARG   8  25.525  25.007  14.827
   56    HD2  ARG   8           HD2      ARG   8  28.387  25.713  15.484
   57    HD3  ARG   8           HD1      ARG   8  27.821  25.953  13.755
   58    HE   ARG   8           HE       ARG   8  25.836  27.236  14.865
   59   HH11  ARG   8          HH11      ARG   8  29.139  27.586  16.199
   60   HH12  ARG   8          HH12      ARG   8  28.603  28.696  17.419
   61   HH21  ARG   8          HH21      ARG   8  25.337  28.943  16.197
   62   HH22  ARG   8          HH22      ARG   8  26.547  29.673  17.200
   63    H    ASP   9           HN       ASP   9  24.186  25.266  15.897
   64    HA   ASP   9           HA       ASP   9  23.238  27.113  17.764
   65    HB2  ASP   9           HB2      ASP   9  21.940  26.346  15.071
   66    HB3  ASP   9           HB1      ASP   9  21.593  27.845  16.003
   67    H    HIS  10           HN       HIS  10  21.237  27.344  18.887
   68    HA   HIS  10           HA       HIS  10  19.830  24.872  19.307
   69    HB2  HIS  10           HB2      HIS  10  18.992  27.532  20.570
   70    HB3  HIS  10           HB1      HIS  10  18.716  25.823  21.087
   71    HD1  HIS  10           HD1      HIS  10  21.587  24.765  21.098
   72    HD2  HIS  10           HD2      HIS  10  20.281  28.382  22.763
   73    HE1  HIS  10           HE1      HIS  10  22.971  25.214  23.256
   74    H    SER  11           HN       SER  11  19.450  25.468  16.762
   75    HA   SER  11           HA       SER  11  17.014  26.961  16.341
   76    HB2  SER  11           HB2      SER  11  17.528  26.550  13.925
   77    HB3  SER  11           HB1      SER  11  18.882  27.299  14.827
   78    HG   SER  11           HG       SER  11  19.451  25.569  13.446
   79    H    ARG  12           HN       ARG  12  18.070  23.723  16.481
   80    HA   ARG  12           HA       ARG  12  15.729  22.718  15.099
   81    HB2  ARG  12           HB2      ARG  12  17.863  20.866  16.263
   82    HB3  ARG  12           HB1      ARG  12  16.774  20.577  14.917
   83    HG2  ARG  12           HG2      ARG  12  18.045  22.127  13.430
   84    HG3  ARG  12           HG1      ARG  12  19.015  22.676  14.819
   85    HD2  ARG  12           HD2      ARG  12  20.124  20.546  15.030
   86    HD3  ARG  12           HD1      ARG  12  19.028  19.748  13.849
   87    HE   ARG  12           HE       ARG  12  21.242  21.644  13.195
   88   HH11  ARG  12          HH11      ARG  12  18.325  19.998  11.903
   89   HH12  ARG  12          HH12      ARG  12  18.625  20.587  10.295
   90   HH21  ARG  12          HH21      ARG  12  21.724  22.028  11.136
   91   HH22  ARG  12          HH22      ARG  12  20.686  21.528   9.827
   92    H    CYS  13           HN       CYS  13  14.336  20.877  16.023
   93    HA   CYS  13           HA       CYS  13  13.599  21.684  18.636
   94    HB2  CYS  13           HB2      CYS  13  12.221  19.422  17.176
   95    HB3  CYS  13           HB1      CYS  13  11.551  20.711  18.184
   96    H    CYS  14           HN       CYS  14  16.077  20.449  18.967
   97    HA   CYS  14           HA       CYS  14  15.758  17.611  19.090
   98    HB2  CYS  14           HB2      CYS  14  17.992  19.381  20.199
   99    HB3  CYS  14           HB1      CYS  14  17.987  17.582  20.131
  Start of MODEL   11
    1    H1   CYS   1           HT1      CYS   1  10.533  17.427  13.784
    2    H2   CYS   1           HT2      CYS   1  11.873  16.598  14.336
    3    H3   CYS   1           HT3      CYS   1  11.525  16.600  12.685
    4    HA   CYS   1           HA       CYS   1  12.044  18.858  12.475
    5    HB2  CYS   1           HB2      CYS   1  11.055  19.522  14.646
    6    HB3  CYS   1           HB1      CYS   1  12.414  18.784  15.497
    7    H    ASN   2           HN       ASN   2  14.371  19.887  12.997
    8    HA   ASN   2           HA       ASN   2  16.029  17.721  11.778
    9    HB2  ASN   2           HB2      ASN   2  17.698  19.599  11.285
   10    HB3  ASN   2           HB1      ASN   2  16.282  19.448  10.284
   11   HD21  ASN   2          HD21      ASN   2  17.229  21.042  13.444
   12   HD22  ASN   2          HD22      ASN   2  16.606  22.583  12.921
   13    H    CYS   3           HN       CYS   3  15.939  16.784  14.059
   14    HA   CYS   3           HA       CYS   3  17.899  18.007  15.825
   15    HB2  CYS   3           HB2      CYS   3  15.838  17.365  16.860
   16    HB3  CYS   3           HB1      CYS   3  15.968  15.723  16.258
   17    H    SER   4           HN       SER   4  19.560  17.636  13.996
   18    HA   SER   4           HA       SER   4  20.795  15.030  14.299
   19    HB2  SER   4           HB2      SER   4  20.769  16.303  12.117
   20    HB3  SER   4           HB1      SER   4  21.931  17.442  12.866
   21    HG   SER   4           HG       SER   4  23.076  15.864  11.841
   22    H    ARG   5           HN       ARG   5  23.299  15.316  14.692
   23    HA   ARG   5           HA       ARG   5  23.588  16.801  17.185
   24    HB2  ARG   5           HB2      ARG   5  25.303  14.662  15.917
   25    HB3  ARG   5           HB1      ARG   5  25.726  15.499  17.426
   26    HG2  ARG   5           HG2      ARG   5  23.808  14.687  18.627
   27    HG3  ARG   5           HG1      ARG   5  23.029  14.053  17.146
   28    HD2  ARG   5           HD2      ARG   5  24.715  12.292  16.940
   29    HD3  ARG   5           HD1      ARG   5  25.697  12.974  18.291
   30    HE   ARG   5           HE       ARG   5  22.941  11.714  18.527
   31   HH11  ARG   5          HH21      ARG   5  25.429  13.563  20.301
   32   HH12  ARG   5          HH22      ARG   5  24.947  12.908  21.823
   33   HH21  ARG   5          HH11      ARG   5  22.730  10.531  20.459
   34   HH22  ARG   5          HH12      ARG   5  23.414  11.188  21.917
   35    H    TRP   6           HN       TRP   6  25.083  17.041  13.892
   36    HA   TRP   6           HA       TRP   6  27.212  18.449  14.897
   37    HB2  TRP   6           HB2      TRP   6  26.165  18.048  12.079
   38    HB3  TRP   6           HB1      TRP   6  27.311  19.393  12.417
   39    HD1  TRP   6           HD1      TRP   6  27.709  15.754  11.608
   40    HE1  TRP   6           HE1      TRP   6  30.159  15.158  12.125
   41    HE3  TRP   6           HE3      TRP   6  28.962  19.901  14.206
   42    HZ2  TRP   6           HZ2      TRP   6  32.273  16.241  13.693
   43    HZ3  TRP   6           HZ3      TRP   6  31.205  20.107  15.144
   44    HH2  TRP   6           HH2      TRP   6  32.845  18.294  14.897
   45    H    ALA   7           HN       ALA   7  24.272  20.013  13.368
   46    HA   ALA   7           HA       ALA   7  25.344  22.518  14.272
   47    HB1  ALA   7           HB1      ALA   7  23.296  23.509  13.415
   48    HB2  ALA   7           HB2      ALA   7  22.681  21.856  12.967
   49    HB3  ALA   7           HB3      ALA   7  24.180  22.525  12.195
   50    H    ARG   8           HN       ARG   8  25.489  22.651  16.409
   51    HA   ARG   8           HA       ARG   8  23.571  21.632  18.247
   52    HB2  ARG   8           HB2      ARG   8  25.777  21.266  18.803
   53    HB3  ARG   8           HB1      ARG   8  26.361  22.816  18.139
   54    HG2  ARG   8           HG2      ARG   8  25.473  24.096  19.919
   55    HG3  ARG   8           HG1      ARG   8  24.699  22.644  20.698
   56    HD2  ARG   8           HD2      ARG   8  27.003  21.575  20.683
   57    HD3  ARG   8           HD1      ARG   8  27.736  23.203  20.332
   58    HE   ARG   8           HE       ARG   8  26.146  23.876  22.420
   59   HH11  ARG   8          HH11      ARG   8  28.583  21.313  22.259
   60   HH12  ARG   8          HH12      ARG   8  28.466  20.901  23.936
   61   HH21  ARG   8          HH21      ARG   8  26.078  23.397  24.675
   62   HH22  ARG   8          HH22      ARG   8  27.048  22.112  25.317
   63    H    ASP   9           HN       ASP   9  24.615  24.762  17.002
   64    HA   ASP   9           HA       ASP   9  23.202  26.329  18.877
   65    HB2  ASP   9           HB2      ASP   9  24.091  26.999  15.992
   66    HB3  ASP   9           HB1      ASP   9  23.349  28.179  17.125
   67    H    HIS  10           HN       HIS  10  22.431  25.214  15.644
   68    HA   HIS  10           HA       HIS  10  20.287  26.944  15.221
   69    HB2  HIS  10           HB2      HIS  10  20.603  24.271  13.745
   70    HB3  HIS  10           HB1      HIS  10  19.784  25.773  13.203
   71    HD1  HIS  10           HD1      HIS  10  21.817  24.492  11.436
   72    HD2  HIS  10           HD2      HIS  10  22.661  27.634  14.081
   73    HE1  HIS  10           HE1      HIS  10  23.698  25.936  10.402
   74    H    SER  11           HN       SER  11  18.952  26.854  16.901
   75    HA   SER  11           HA       SER  11  18.130  25.191  18.601
   76    HB2  SER  11           HB2      SER  11  15.854  26.316  18.730
   77    HB3  SER  11           HB1      SER  11  17.298  27.365  18.744
   78    HG   SER  11           HG       SER  11  15.696  28.125  17.387
   79    H    ARG  12           HN       ARG  12  18.207  23.003  17.957
   80    HA   ARG  12           HA       ARG  12  16.309  22.137  16.094
   81    HB2  ARG  12           HB2      ARG  12  17.651  20.204  18.025
   82    HB3  ARG  12           HB1      ARG  12  17.028  19.889  16.424
   83    HG2  ARG  12           HG2      ARG  12  19.000  20.876  15.359
   84    HG3  ARG  12           HG1      ARG  12  19.350  21.891  16.763
   85    HD2  ARG  12           HD2      ARG  12  19.604  18.830  16.824
   86    HD3  ARG  12           HD1      ARG  12  20.958  19.984  16.483
   87    HE   ARG  12           HE       ARG  12  19.880  20.994  18.824
   88   HH11  ARG  12          HH11      ARG  12  21.503  17.969  17.837
   89   HH12  ARG  12          HH12      ARG  12  22.174  17.731  19.433
   90   HH21  ARG  12          HH21      ARG  12  20.229  20.153  20.975
   91   HH22  ARG  12          HH22      ARG  12  21.386  18.901  21.179
   92    H    CYS  13           HN       CYS  13  14.287  20.836  16.431
   93    HA   CYS  13           HA       CYS  13  13.255  21.149  19.060
   94    HB2  CYS  13           HB2      CYS  13  11.596  19.822  16.937
   95    HB3  CYS  13           HB1      CYS  13  11.164  21.024  18.191
   96    H    CYS  14           HN       CYS  14  14.598  19.415  20.171
   97    HA   CYS  14           HA       CYS  14  14.431  16.771  18.965
   98    HB2  CYS  14           HB2      CYS  14  15.923  17.736  21.433
   99    HB3  CYS  14           HB1      CYS  14  16.060  16.129  20.612
  Start of MODEL   12
    1    H1   CYS   1           HT1      CYS   1  11.237  17.470  12.617
    2    H2   CYS   1           HT2      CYS   1  12.434  16.492  13.299
    3    H3   CYS   1           HT3      CYS   1  12.423  16.785  11.658
    4    HA   CYS   1           HA       CYS   1  12.835  19.071  11.942
    5    HB2  CYS   1           HB2      CYS   1  11.563  19.229  14.097
    6    HB3  CYS   1           HB1      CYS   1  12.924  18.507  14.949
    7    H    ASN   2           HN       ASN   2  15.000  20.109  12.556
    8    HA   ASN   2           HA       ASN   2  17.004  18.015  11.955
    9    HB2  ASN   2           HB2      ASN   2  18.159  20.743  12.122
   10    HB3  ASN   2           HB1      ASN   2  18.391  19.433  11.007
   11   HD21  ASN   2          HD21      ASN   2  16.350  22.359  11.580
   12   HD22  ASN   2          HD22      ASN   2  15.903  22.377   9.913
   13    H    CYS   3           HN       CYS   3  16.205  17.384  14.273
   14    HA   CYS   3           HA       CYS   3  18.216  18.229  16.205
   15    HB2  CYS   3           HB2      CYS   3  16.053  17.622  17.145
   16    HB3  CYS   3           HB1      CYS   3  16.081  16.056  16.317
   17    H    SER   4           HN       SER   4  19.753  17.801  14.208
   18    HA   SER   4           HA       SER   4  20.532  15.078  13.959
   19    HB2  SER   4           HB2      SER   4  22.362  17.347  13.115
   20    HB3  SER   4           HB1      SER   4  22.019  15.783  12.311
   21    HG   SER   4           HG       SER   4  21.157  17.649  11.320
   22    H    ARG   5           HN       ARG   5  23.051  14.629  14.335
   23    HA   ARG   5           HA       ARG   5  23.476  15.155  17.110
   24    HB2  ARG   5           HB2      ARG   5  25.176  13.731  15.026
   25    HB3  ARG   5           HB1      ARG   5  25.711  13.973  16.698
   26    HG2  ARG   5           HG2      ARG   5  24.008  12.644  17.665
   27    HG3  ARG   5           HG1      ARG   5  22.999  12.637  16.200
   28    HD2  ARG   5           HD2      ARG   5  24.572  11.171  15.020
   29    HD3  ARG   5           HD1      ARG   5  25.759  11.262  16.378
   30    HE   ARG   5           HE       ARG   5  23.978  10.258  17.868
   31   HH11  ARG   5          HH21      ARG   5  23.590   9.660  14.343
   32   HH12  ARG   5          HH22      ARG   5  22.960   8.081  14.635
   33   HH21  ARG   5          HH11      ARG   5  23.217   8.074  18.071
   34   HH22  ARG   5          HH12      ARG   5  23.058   7.135  16.627
   35    H    TRP   6           HN       TRP   6  25.125  16.293  14.120
   36    HA   TRP   6           HA       TRP   6  26.613  18.178  15.715
   37    HB2  TRP   6           HB2      TRP   6  26.941  17.070  12.998
   38    HB3  TRP   6           HB1      TRP   6  27.140  18.846  13.072
   39    HD1  TRP   6           HD1      TRP   6  29.475  16.063  13.532
   40    HE1  TRP   6           HE1      TRP   6  31.568  17.093  14.601
   41    HE3  TRP   6           HE3      TRP   6  27.490  20.461  15.027
   42    HZ2  TRP   6           HZ2      TRP   6  32.199  19.379  16.165
   43    HZ3  TRP   6           HZ3      TRP   6  28.891  22.074  16.210
   44    HH2  TRP   6           HH2      TRP   6  31.212  21.531  16.806
   45    H    ALA   7           HN       ALA   7  24.207  19.065  16.444
   46    HA   ALA   7           HA       ALA   7  23.276  20.992  14.526
   47    HB1  ALA   7           HB1      ALA   7  21.747  21.727  16.209
   48    HB2  ALA   7           HB2      ALA   7  22.518  20.654  17.449
   49    HB3  ALA   7           HB3      ALA   7  21.677  19.947  16.001
   50    H    ARG   8           HN       ARG   8  24.550  22.655  14.108
   51    HA   ARG   8           HA       ARG   8  26.246  23.965  16.020
   52    HB2  ARG   8           HB2      ARG   8  26.598  25.690  14.472
   53    HB3  ARG   8           HB1      ARG   8  26.817  24.070  13.755
   54    HG2  ARG   8           HG2      ARG   8  24.917  24.248  12.353
   55    HG3  ARG   8           HG1      ARG   8  24.236  25.664  13.191
   56    HD2  ARG   8           HD2      ARG   8  27.060  25.776  12.151
   57    HD3  ARG   8           HD1      ARG   8  25.696  26.005  10.938
   58    HE   ARG   8           HE       ARG   8  24.865  27.755  12.799
   59   HH11  ARG   8          HH11      ARG   8  28.271  27.487  11.760
   60   HH12  ARG   8          HH12      ARG   8  28.641  29.010  12.453
   61   HH21  ARG   8          HH21      ARG   8  25.431  29.637  13.635
   62   HH22  ARG   8          HH22      ARG   8  27.106  30.076  13.854
   63    H    ASP   9           HN       ASP   9  23.131  24.518  14.600
   64    HA   ASP   9           HA       ASP   9  22.686  26.913  16.118
   65    HB2  ASP   9           HB2      ASP   9  22.218  26.620  13.657
   66    HB3  ASP   9           HB1      ASP   9  20.866  25.513  14.091
   67    H    HIS  10           HN       HIS  10  21.073  27.258  17.662
   68    HA   HIS  10           HA       HIS  10  20.431  24.849  19.143
   69    HB2  HIS  10           HB2      HIS  10  19.912  26.246  21.046
   70    HB3  HIS  10           HB1      HIS  10  21.519  26.665  20.390
   71    HD1  HIS  10           HD1      HIS  10  20.052  28.588  22.186
   72    HD2  HIS  10           HD2      HIS  10  20.035  28.819  17.995
   73    HE1  HIS  10           HE1      HIS  10  19.892  31.086  21.491
   74    H    SER  11           HN       SER  11  18.792  26.336  16.799
   75    HA   SER  11           HA       SER  11  16.235  26.584  17.975
   76    HB2  SER  11           HB2      SER  11  15.376  26.589  15.599
   77    HB3  SER  11           HB1      SER  11  16.647  27.785  15.942
   78    HG   SER  11           HG       SER  11  18.083  26.638  14.860
   79    H    ARG  12           HN       ARG  12  17.898  23.743  17.426
   80    HA   ARG  12           HA       ARG  12  16.088  22.304  16.021
   81    HB2  ARG  12           HB2      ARG  12  17.390  20.209  17.082
   82    HB3  ARG  12           HB1      ARG  12  18.141  21.345  15.960
   83    HG2  ARG  12           HG2      ARG  12  19.652  20.774  17.720
   84    HG3  ARG  12           HG1      ARG  12  19.306  22.513  17.851
   85    HD2  ARG  12           HD2      ARG  12  17.721  20.438  19.402
   86    HD3  ARG  12           HD1      ARG  12  19.411  20.800  19.963
   87    HE   ARG  12           HE       ARG  12  17.055  22.693  19.905
   88   HH11  ARG  12          HH11      ARG  12  20.481  22.271  20.976
   89   HH12  ARG  12          HH12      ARG  12  20.174  23.110  22.455
   90   HH21  ARG  12          HH21      ARG  12  16.983  24.224  21.559
   91   HH22  ARG  12          HH22      ARG  12  18.313  24.425  22.613
   92    H    CYS  13           HN       CYS  13  14.520  20.618  16.360
   93    HA   CYS  13           HA       CYS  13  13.190  20.885  18.869
   94    HB2  CYS  13           HB2      CYS  13  12.098  19.283  16.555
   95    HB3  CYS  13           HB1      CYS  13  11.278  20.295  17.763
   96    H    CYS  14           HN       CYS  14  14.802  19.501  20.101
   97    HA   CYS  14           HA       CYS  14  14.809  16.713  19.245
   98    HB2  CYS  14           HB2      CYS  14  16.242  17.963  21.608
   99    HB3  CYS  14           HB1      CYS  14  16.364  16.280  20.952
  Start of MODEL   13
    1    H1   CYS   1           HT1      CYS   1  11.718  18.160  12.821
    2    H2   CYS   1           HT2      CYS   1  12.958  17.281  13.492
    3    H3   CYS   1           HT3      CYS   1  12.838  17.396  11.820
    4    HA   CYS   1           HA       CYS   1  13.235  19.763  11.924
    5    HB2  CYS   1           HB2      CYS   1  12.409  19.574  14.540
    6    HB3  CYS   1           HB1      CYS   1  14.132  19.506  14.849
    7    H    ASN   2           HN       ASN   2  15.642  20.584  13.179
    8    HA   ASN   2           HA       ASN   2  17.525  18.711  11.866
    9    HB2  ASN   2           HB2      ASN   2  19.062  20.769  13.125
   10    HB3  ASN   2           HB1      ASN   2  18.808  20.427  11.429
   11   HD21  ASN   2          HD21      ASN   2  17.315  22.393  14.205
   12   HD22  ASN   2          HD22      ASN   2  16.959  23.621  13.046
   13    H    CYS   3           HN       CYS   3  16.620  17.092  13.488
   14    HA   CYS   3           HA       CYS   3  17.790  17.374  16.129
   15    HB2  CYS   3           HB2      CYS   3  15.448  16.665  15.975
   16    HB3  CYS   3           HB1      CYS   3  15.921  15.228  15.053
   17    H    SER   4           HN       SER   4  19.753  17.436  14.448
   18    HA   SER   4           HA       SER   4  21.101  14.922  14.191
   19    HB2  SER   4           HB2      SER   4  22.782  16.567  13.057
   20    HB3  SER   4           HB1      SER   4  21.171  16.423  12.327
   21    HG   SER   4           HG       SER   4  21.913  18.600  12.669
   22    H    ARG   5           HN       ARG   5  23.299  14.723  15.123
   23    HA   ARG   5           HA       ARG   5  23.457  15.826  17.755
   24    HB2  ARG   5           HB2      ARG   5  25.472  14.204  16.133
   25    HB3  ARG   5           HB1      ARG   5  25.779  14.789  17.788
   26    HG2  ARG   5           HG2      ARG   5  24.029  13.440  18.742
   27    HG3  ARG   5           HG1      ARG   5  23.368  12.976  17.155
   28    HD2  ARG   5           HD2      ARG   5  26.150  12.185  18.218
   29    HD3  ARG   5           HD1      ARG   5  24.691  11.140  18.184
   30    HE   ARG   5           HE       ARG   5  26.399  11.945  15.907
   31   HH11  ARG   5          HH21      ARG   5  23.397  10.241  16.866
   32   HH12  ARG   5          HH22      ARG   5  23.773   8.960  15.765
   33   HH21  ARG   5          HH11      ARG   5  26.211  10.810  13.986
   34   HH22  ARG   5          HH12      ARG   5  25.203   9.411  13.921
   35    H    TRP   6           HN       TRP   6  25.292  16.435  14.712
   36    HA   TRP   6           HA       TRP   6  26.232  18.912  15.812
   37    HB2  TRP   6           HB2      TRP   6  26.822  17.354  13.311
   38    HB3  TRP   6           HB1      TRP   6  26.822  19.128  13.166
   39    HD1  TRP   6           HD1      TRP   6  29.338  16.604  14.451
   40    HE1  TRP   6           HE1      TRP   6  31.228  18.011  15.502
   41    HE3  TRP   6           HE3      TRP   6  26.936  21.031  14.692
   42    HZ2  TRP   6           HZ2      TRP   6  31.603  20.684  16.357
   43    HZ3  TRP   6           HZ3      TRP   6  28.090  22.989  15.641
   44    HH2  TRP   6           HH2      TRP   6  30.377  22.807  16.478
   45    H    ALA   7           HN       ALA   7  23.671  19.312  16.335
   46    HA   ALA   7           HA       ALA   7  22.666  20.967  14.205
   47    HB1  ALA   7           HB1      ALA   7  21.908  20.764  17.139
   48    HB2  ALA   7           HB2      ALA   7  21.077  20.048  15.696
   49    HB3  ALA   7           HB3      ALA   7  21.130  21.837  15.899
   50    H    ARG   8           HN       ARG   8  24.269  22.361  13.583
   51    HA   ARG   8           HA       ARG   8  25.903  23.858  15.283
   52    HB2  ARG   8           HB2      ARG   8  26.662  24.901  13.410
   53    HB3  ARG   8           HB1      ARG   8  26.183  23.245  12.902
   54    HG2  ARG   8           HG2      ARG   8  24.105  24.181  11.807
   55    HG3  ARG   8           HG1      ARG   8  24.615  25.825  12.354
   56    HD2  ARG   8           HD2      ARG   8  26.888  25.290  11.297
   57    HD3  ARG   8           HD1      ARG   8  26.088  23.930  10.403
   58    HE   ARG   8           HE       ARG   8  24.614  26.509  10.149
   59   HH11  ARG   8          HH21      ARG   8  27.450  24.792   8.832
   60   HH12  ARG   8          HH22      ARG   8  27.516  25.776   7.463
   61   HH21  ARG   8          HH11      ARG   8  24.676  27.703   8.296
   62   HH22  ARG   8          HH12      ARG   8  25.791  27.304   7.001
   63    H    ASP   9           HN       ASP   9  22.723  24.229  14.113
   64    HA   ASP   9           HA       ASP   9  22.256  26.901  14.970
   65    HB2  ASP   9           HB2      ASP   9  21.039  25.504  13.130
   66    HB3  ASP   9           HB1      ASP   9  20.143  24.710  14.476
   67    H    HIS  10           HN       HIS  10  20.522  27.432  16.517
   68    HA   HIS  10           HA       HIS  10  21.074  26.170  19.060
   69    HB2  HIS  10           HB2      HIS  10  19.591  27.917  20.038
   70    HB3  HIS  10           HB1      HIS  10  20.998  28.572  19.174
   71    HD1  HIS  10           HD1      HIS  10  18.558  30.228  19.817
   72    HD2  HIS  10           HD2      HIS  10  19.502  28.662  16.039
   73    HE1  HIS  10           HE1      HIS  10  17.765  31.887  17.993
   74    H    SER  11           HN       SER  11  18.432  26.143  16.669
   75    HA   SER  11           HA       SER  11  16.518  25.259  18.544
   76    HB2  SER  11           HB2      SER  11  16.504  25.296  15.513
   77    HB3  SER  11           HB1      SER  11  15.094  24.895  16.554
   78    HG   SER  11           HG       SER  11  15.393  26.928  17.553
   79    H    ARG  12           HN       ARG  12  17.497  23.383  19.500
   80    HA   ARG  12           HA       ARG  12  17.599  20.983  17.880
   81    HB2  ARG  12           HB2      ARG  12  17.907  20.976  20.904
   82    HB3  ARG  12           HB1      ARG  12  18.326  19.755  19.744
   83    HG2  ARG  12           HG2      ARG  12  20.302  20.983  19.002
   84    HG3  ARG  12           HG1      ARG  12  19.638  22.539  19.505
   85    HD2  ARG  12           HD2      ARG  12  20.390  20.378  21.561
   86    HD3  ARG  12           HD1      ARG  12  21.531  21.605  20.872
   87    HE   ARG  12           HE       ARG  12  18.969  22.721  21.927
   88   HH11  ARG  12          HH21      ARG  12  22.332  21.885  22.791
   89   HH12  ARG  12          HH22      ARG  12  22.563  23.306  23.753
   90   HH21  ARG  12          HH11      ARG  12  19.332  24.611  23.163
   91   HH22  ARG  12          HH12      ARG  12  20.792  24.798  24.074
   92    H    CYS  13           HN       CYS  13  15.315  20.862  17.192
   93    HA   CYS  13           HA       CYS  13  13.350  21.580  19.042
   94    HB2  CYS  13           HB2      CYS  13  12.644  20.294  16.413
   95    HB3  CYS  13           HB1      CYS  13  11.913  21.701  17.227
   96    H    CYS  14           HN       CYS  14  14.858  18.767  18.849
   97    HA   CYS  14           HA       CYS  14  13.516  16.738  17.937
   98    HB2  CYS  14           HB2      CYS  14  14.976  16.744  20.606
   99    HB3  CYS  14           HB1      CYS  14  14.696  15.309  19.555
  Start of MODEL   14
    1    H1   CYS   1           HT1      CYS   1  11.790  17.150  11.702
    2    H2   CYS   1           HT2      CYS   1  12.523  16.424  13.031
    3    H3   CYS   1           HT3      CYS   1  13.112  16.173  11.464
    4    HA   CYS   1           HA       CYS   1  13.427  18.670  11.377
    5    HB2  CYS   1           HB2      CYS   1  12.111  19.131  13.424
    6    HB3  CYS   1           HB1      CYS   1  13.281  18.266  14.413
    7    H    ASN   2           HN       ASN   2  15.547  19.580  12.171
    8    HA   ASN   2           HA       ASN   2  17.577  17.464  11.639
    9    HB2  ASN   2           HB2      ASN   2  19.186  19.568  11.685
   10    HB3  ASN   2           HB1      ASN   2  18.313  19.079  10.252
   11   HD21  ASN   2          HD21      ASN   2  17.683  21.143  13.276
   12   HD22  ASN   2          HD22      ASN   2  17.273  22.479  12.247
   13    H    CYS   3           HN       CYS   3  16.373  17.004  14.025
   14    HA   CYS   3           HA       CYS   3  18.290  17.797  16.058
   15    HB2  CYS   3           HB2      CYS   3  15.947  17.382  16.798
   16    HB3  CYS   3           HB1      CYS   3  16.041  15.733  16.150
   17    H    SER   4           HN       SER   4  19.789  17.039  14.089
   18    HA   SER   4           HA       SER   4  20.573  14.262  14.539
   19    HB2  SER   4           HB2      SER   4  20.512  15.321  12.243
   20    HB3  SER   4           HB1      SER   4  21.945  16.267  12.736
   21    HG   SER   4           HG       SER   4  21.719  13.687  11.960
   22    H    ARG   5           HN       ARG   5  23.293  14.288  14.595
   23    HA   ARG   5           HA       ARG   5  23.812  15.432  17.140
   24    HB2  ARG   5           HB2      ARG   5  24.672  13.245  16.464
   25    HB3  ARG   5           HB1      ARG   5  25.636  13.976  15.156
   26    HG2  ARG   5           HG2      ARG   5  26.949  15.279  16.912
   27    HG3  ARG   5           HG1      ARG   5  25.997  14.430  18.181
   28    HD2  ARG   5           HD2      ARG   5  26.924  12.225  17.411
   29    HD3  ARG   5           HD1      ARG   5  27.822  13.080  16.081
   30    HE   ARG   5           HE       ARG   5  28.473  14.310  18.640
   31   HH11  ARG   5          HH21      ARG   5  29.184  11.360  16.706
   32   HH12  ARG   5          HH22      ARG   5  30.650  11.058  17.599
   33   HH21  ARG   5          HH11      ARG   5  30.090  13.483  19.999
   34   HH22  ARG   5          HH12      ARG   5  31.238  12.335  19.339
   35    H    TRP   6           HN       TRP   6  24.851  16.341  13.807
   36    HA   TRP   6           HA       TRP   6  26.354  18.508  14.884
   37    HB2  TRP   6           HB2      TRP   6  25.960  17.390  12.103
   38    HB3  TRP   6           HB1      TRP   6  26.330  19.128  12.256
   39    HD1  TRP   6           HD1      TRP   6  28.482  16.141  12.047
   40    HE1  TRP   6           HE1      TRP   6  30.843  16.932  12.737
   41    HE3  TRP   6           HE3      TRP   6  27.222  20.573  14.106
   42    HZ2  TRP   6           HZ2      TRP   6  31.972  19.109  14.137
   43    HZ3  TRP   6           HZ3      TRP   6  28.978  22.009  15.035
   44    HH2  TRP   6           HH2      TRP   6  31.318  21.277  15.072
   45    H    ALA   7           HN       ALA   7  23.876  18.840  15.977
   46    HA   ALA   7           HA       ALA   7  22.708  21.012  14.476
   47    HB1  ALA   7           HB1      ALA   7  21.233  19.483  15.647
   48    HB2  ALA   7           HB2      ALA   7  21.097  21.166  16.270
   49    HB3  ALA   7           HB3      ALA   7  22.010  19.909  17.226
   50    H    ARG   8           HN       ARG   8  24.137  22.639  14.292
   51    HA   ARG   8           HA       ARG   8  25.771  23.630  16.417
   52    HB2  ARG   8           HB2      ARG   8  26.724  23.384  14.268
   53    HB3  ARG   8           HB1      ARG   8  25.280  24.005  13.427
   54    HG2  ARG   8           HG2      ARG   8  25.599  26.217  14.193
   55    HG3  ARG   8           HG1      ARG   8  27.044  25.771  15.203
   56    HD2  ARG   8           HD2      ARG   8  27.993  24.754  13.001
   57    HD3  ARG   8           HD1      ARG   8  26.804  25.776  12.099
   58    HE   ARG   8           HE       ARG   8  29.150  26.725  13.736
   59   HH11  ARG   8          HH21      ARG   8  26.058  27.841  12.266
   60   HH12  ARG   8          HH22      ARG   8  26.643  29.467  12.131
   61   HH21  ARG   8          HH11      ARG   8  29.920  28.734  13.108
   62   HH22  ARG   8          HH12      ARG   8  28.852  30.002  12.650
   63    H    ASP   9           HN       ASP   9  22.862  24.379  14.612
   64    HA   ASP   9           HA       ASP   9  22.497  26.982  15.610
   65    HB2  ASP   9           HB2      ASP   9  20.481  25.029  14.377
   66    HB3  ASP   9           HB1      ASP   9  20.152  26.774  14.695
   67    H    HIS  10           HN       HIS  10  20.825  27.766  17.045
   68    HA   HIS  10           HA       HIS  10  21.095  26.273  19.476
   69    HB2  HIS  10           HB2      HIS  10  19.892  28.253  20.534
   70    HB3  HIS  10           HB1      HIS  10  21.388  28.732  19.707
   71    HD1  HIS  10           HD1      HIS  10  17.907  29.502  19.610
   72    HD2  HIS  10           HD2      HIS  10  21.379  30.148  17.358
   73    HE1  HIS  10           HE1      HIS  10  17.564  31.637  18.153
   74    H    SER  11           HN       SER  11  18.264  27.370  17.532
   75    HA   SER  11           HA       SER  11  16.429  26.155  19.302
   76    HB2  SER  11           HB2      SER  11  14.751  26.768  17.549
   77    HB3  SER  11           HB1      SER  11  15.761  28.120  18.144
   78    HG   SER  11           HG       SER  11  16.319  26.622  15.815
   79    H    ARG  12           HN       ARG  12  17.258  23.916  19.314
   80    HA   ARG  12           HA       ARG  12  16.806  22.460  16.852
   81    HB2  ARG  12           HB2      ARG  12  17.309  21.027  19.505
   82    HB3  ARG  12           HB1      ARG  12  17.624  20.482  17.862
   83    HG2  ARG  12           HG2      ARG  12  19.607  22.035  17.691
   84    HG3  ARG  12           HG1      ARG  12  19.190  22.717  19.284
   85    HD2  ARG  12           HD2      ARG  12  19.812  19.733  18.791
   86    HD3  ARG  12           HD1      ARG  12  21.061  20.945  19.251
   87    HE   ARG  12           HE       ARG  12  19.236  19.657  21.051
   88   HH11  ARG  12          HH21      ARG  12  21.301  22.531  20.673
   89   HH12  ARG  12          HH22      ARG  12  21.278  22.752  22.396
   90   HH21  ARG  12          HH11      ARG  12  19.108  20.224  23.192
   91   HH22  ARG  12          HH12      ARG  12  20.251  21.433  23.753
   92    H    CYS  13           HN       CYS  13  15.127  20.673  16.633
   93    HA   CYS  13           HA       CYS  13  12.808  21.368  18.190
   94    HB2  CYS  13           HB2      CYS  13  12.958  19.209  16.052
   95    HB3  CYS  13           HB1      CYS  13  11.546  20.101  16.652
   96    H    CYS  14           HN       CYS  14  15.249  19.649  19.206
   97    HA   CYS  14           HA       CYS  14  14.445  17.012  19.166
   98    HB2  CYS  14           HB2      CYS  14  16.259  18.339  21.257
   99    HB3  CYS  14           HB1      CYS  14  16.223  16.606  20.748
  Start of MODEL   15
    1    H1   CYS   1           HT1      CYS   1  12.803  15.919  13.712
    2    H2   CYS   1           HT2      CYS   1  11.957  15.991  12.264
    3    H3   CYS   1           HT3      CYS   1  11.259  16.614  13.644
    4    HA   CYS   1           HA       CYS   1  12.132  18.285  12.129
    5    HB2  CYS   1           HB2      CYS   1  12.118  18.295  14.887
    6    HB3  CYS   1           HB1      CYS   1  13.801  18.637  14.658
    7    H    ASN   2           HN       ASN   2  14.634  19.559  12.394
    8    HA   ASN   2           HA       ASN   2  16.401  17.528  11.090
    9    HB2  ASN   2           HB2      ASN   2  17.421  20.361  11.354
   10    HB3  ASN   2           HB1      ASN   2  17.881  19.021  10.351
   11   HD21  ASN   2          HD21      ASN   2  15.749  21.849  10.266
   12   HD22  ASN   2          HD22      ASN   2  15.014  21.312   8.804
   13    H    CYS   3           HN       CYS   3  16.021  16.640  13.530
   14    HA   CYS   3           HA       CYS   3  17.906  17.712  15.397
   15    HB2  CYS   3           HB2      CYS   3  15.782  16.860  16.253
   16    HB3  CYS   3           HB1      CYS   3  16.176  15.250  15.617
   17    H    SER   4           HN       SER   4  19.754  17.440  13.807
   18    HA   SER   4           HA       SER   4  20.915  14.789  13.904
   19    HB2  SER   4           HB2      SER   4  22.070  17.383  12.752
   20    HB3  SER   4           HB1      SER   4  22.656  15.702  12.481
   21    HG   SER   4           HG       SER   4  21.038  15.267  11.263
   22    H    ARG   5           HN       ARG   5  23.061  14.482  14.733
   23    HA   ARG   5           HA       ARG   5  23.500  15.425  17.308
   24    HB2  ARG   5           HB2      ARG   5  25.327  13.967  15.341
   25    HB3  ARG   5           HB1      ARG   5  25.932  14.520  16.904
   26    HG2  ARG   5           HG2      ARG   5  24.457  13.177  18.193
   27    HG3  ARG   5           HG1      ARG   5  23.516  12.654  16.760
   28    HD2  ARG   5           HD2      ARG   5  25.340  11.345  15.908
   29    HD3  ARG   5           HD1      ARG   5  26.547  12.117  17.007
   30    HE   ARG   5           HE       ARG   5  24.303  10.280  17.911
   31   HH11  ARG   5          HH21      ARG   5  27.507  11.736  18.693
   32   HH12  ARG   5          HH22      ARG   5  27.337  11.332  20.365
   33   HH21  ARG   5          HH11      ARG   5  24.196   9.800  20.130
   34   HH22  ARG   5          HH12      ARG   5  25.454  10.363  21.155
   35    H    TRP   6           HN       TRP   6  25.011  16.421  14.251
   36    HA   TRP   6           HA       TRP   6  26.536  18.485  15.478
   37    HB2  TRP   6           HB2      TRP   6  26.307  17.383  12.730
   38    HB3  TRP   6           HB1      TRP   6  26.403  19.154  12.776
   39    HD1  TRP   6           HD1      TRP   6  28.908  16.348  13.055
   40    HE1  TRP   6           HE1      TRP   6  31.149  17.490  13.690
   41    HE3  TRP   6           HE3      TRP   6  27.107  20.852  14.433
   42    HZ2  TRP   6           HZ2      TRP   6  31.998  19.999  14.657
   43    HZ3  TRP   6           HZ3      TRP   6  28.652  22.577  15.247
   44    HH2  TRP   6           HH2      TRP   6  31.059  22.147  15.372
   45    H    ALA   7           HN       ALA   7  24.302  19.058  16.711
   46    HA   ALA   7           HA       ALA   7  22.787  21.048  15.376
   47    HB1  ALA   7           HB1      ALA   7  21.879  21.491  17.593
   48    HB2  ALA   7           HB2      ALA   7  23.082  20.347  18.325
   49    HB3  ALA   7           HB3      ALA   7  21.833  19.742  17.163
   50    H    ARG   8           HN       ARG   8  24.026  22.624  14.518
   51    HA   ARG   8           HA       ARG   8  26.169  23.953  15.928
   52    HB2  ARG   8           HB2      ARG   8  26.675  23.749  13.713
   53    HB3  ARG   8           HB1      ARG   8  24.984  23.693  13.186
   54    HG2  ARG   8           HG2      ARG   8  24.686  26.092  13.447
   55    HG3  ARG   8           HG1      ARG   8  26.436  26.279  13.924
   56    HD2  ARG   8           HD2      ARG   8  26.989  24.978  11.841
   57    HD3  ARG   8           HD1      ARG   8  25.290  25.155  11.243
   58    HE   ARG   8           HE       ARG   8  27.334  27.342  11.474
   59   HH11  ARG   8          HH21      ARG   8  23.772  27.154  11.485
   60   HH12  ARG   8          HH22      ARG   8  23.608  28.174  10.148
   61   HH21  ARG   8          HH11      ARG   8  27.029  28.679   9.663
   62   HH22  ARG   8          HH12      ARG   8  25.449  29.193   9.212
   63    H    ASP   9           HN       ASP   9  22.890  24.473  14.795
   64    HA   ASP   9           HA       ASP   9  22.784  27.145  15.850
   65    HB2  ASP   9           HB2      ASP   9  20.461  25.523  14.690
   66    HB3  ASP   9           HB1      ASP   9  20.625  27.320  14.751
   67    H    HIS  10           HN       HIS  10  21.336  27.827  17.554
   68    HA   HIS  10           HA       HIS  10  20.978  25.838  19.562
   69    HB2  HIS  10           HB2      HIS  10  19.872  27.520  20.948
   70    HB3  HIS  10           HB1      HIS  10  21.436  28.098  20.365
   71    HD1  HIS  10           HD1      HIS  10  19.346  29.985  21.380
   72    HD2  HIS  10           HD2      HIS  10  19.849  29.172  17.302
   73    HE1  HIS  10           HE1      HIS  10  18.919  32.172  20.042
   74    H    SER  11           HN       SER  11  18.989  26.912  17.010
   75    HA   SER  11           HA       SER  11  16.472  26.390  18.054
   76    HB2  SER  11           HB2      SER  11  17.396  26.391  15.125
   77    HB3  SER  11           HB1      SER  11  15.742  26.750  15.733
   78    HG   SER  11           HG       SER  11  16.622  28.526  16.801
   79    H    ARG  12           HN       ARG  12  17.708  24.099  18.735
   80    HA   ARG  12           HA       ARG  12  16.948  22.159  16.767
   81    HB2  ARG  12           HB2      ARG  12  18.058  20.422  17.845
   82    HB3  ARG  12           HB1      ARG  12  19.018  21.867  18.089
   83    HG2  ARG  12           HG2      ARG  12  17.313  21.430  20.509
   84    HG3  ARG  12           HG1      ARG  12  17.926  19.903  19.901
   85    HD2  ARG  12           HD2      ARG  12  20.273  20.832  19.754
   86    HD3  ARG  12           HD1      ARG  12  19.671  22.356  20.509
   87    HE   ARG  12           HE       ARG  12  19.183  21.122  22.565
   88   HH11  ARG  12          HH21      ARG  12  20.081  18.659  20.139
   89   HH12  ARG  12          HH22      ARG  12  20.518  17.531  21.382
   90   HH21  ARG  12          HH11      ARG  12  20.193  19.847  24.014
   91   HH22  ARG  12          HH12      ARG  12  20.608  18.195  23.635
   92    H    CYS  13           HN       CYS  13  15.172  20.580  16.886
   93    HA   CYS  13           HA       CYS  13  13.086  21.538  18.622
   94    HB2  CYS  13           HB2      CYS  13  12.793  19.344  16.556
   95    HB3  CYS  13           HB1      CYS  13  11.596  20.551  17.106
   96    H    CYS  14           HN       CYS  14  15.425  19.227  19.074
   97    HA   CYS  14           HA       CYS  14  14.343  16.876  18.682
   98    HB2  CYS  14           HB2      CYS  14  16.336  17.527  20.894
   99    HB3  CYS  14           HB1      CYS  14  16.130  15.953  20.052
  Start of MODEL   16
    1    H1   CYS   1           HT1      CYS   1  14.038  18.508  11.173
    2    H2   CYS   1           HT2      CYS   1  12.582  18.994  11.838
    3    H3   CYS   1           HT3      CYS   1  13.491  17.775  12.602
    4    HA   CYS   1           HA       CYS   1  14.273  20.585  12.205
    5    HB2  CYS   1           HB2      CYS   1  12.353  20.198  13.826
    6    HB3  CYS   1           HB1      CYS   1  13.449  19.246  14.840
    7    H    ASN   2           HN       ASN   2  16.129  21.261  13.466
    8    HA   ASN   2           HA       ASN   2  18.223  19.208  12.972
    9    HB2  ASN   2           HB2      ASN   2  19.017  22.081  13.613
   10    HB3  ASN   2           HB1      ASN   2  19.972  20.676  13.191
   11   HD21  ASN   2          HD21      ASN   2  17.115  22.500  11.724
   12   HD22  ASN   2          HD22      ASN   2  18.002  22.624  10.239
   13    H    CYS   3           HN       CYS   3  16.769  18.352  14.971
   14    HA   CYS   3           HA       CYS   3  18.698  18.283  17.158
   15    HB2  CYS   3           HB2      CYS   3  16.341  17.954  17.740
   16    HB3  CYS   3           HB1      CYS   3  16.244  16.585  16.618
   17    H    SER   4           HN       SER   4  20.023  18.004  14.801
   18    HA   SER   4           HA       SER   4  20.269  15.232  14.033
   19    HB2  SER   4           HB2      SER   4  21.812  16.338  12.278
   20    HB3  SER   4           HB1      SER   4  20.126  16.883  12.304
   21    HG   SER   4           HG       SER   4  22.380  18.259  13.268
   22    H    ARG   5           HN       ARG   5  22.647  14.299  14.020
   23    HA   ARG   5           HA       ARG   5  23.710  14.643  16.542
   24    HB2  ARG   5           HB2      ARG   5  25.271  13.135  16.159
   25    HB3  ARG   5           HB1      ARG   5  23.993  12.643  15.014
   26    HG2  ARG   5           HG2      ARG   5  25.377  13.914  13.195
   27    HG3  ARG   5           HG1      ARG   5  26.689  14.043  14.436
   28    HD2  ARG   5           HD2      ARG   5  26.852  11.624  14.646
   29    HD3  ARG   5           HD1      ARG   5  25.441  11.390  13.536
   30    HE   ARG   5           HE       ARG   5  26.762  12.013  11.669
   31   HH11  ARG   5          HH11      ARG   5  28.664  12.784  14.621
   32   HH12  ARG   5          HH12      ARG   5  30.134  12.854  13.740
   33   HH21  ARG   5          HH21      ARG   5  28.757  12.203  10.575
   34   HH22  ARG   5          HH22      ARG   5  30.157  12.739  11.406
   35    H    TRP   6           HN       TRP   6  24.631  16.268  13.505
   36    HA   TRP   6           HA       TRP   6  26.488  17.965  14.956
   37    HB2  TRP   6           HB2      TRP   6  26.232  17.129  12.182
   38    HB3  TRP   6           HB1      TRP   6  26.234  18.912  12.334
   39    HD1  TRP   6           HD1      TRP   6  28.841  16.133  12.458
   40    HE1  TRP   6           HE1      TRP   6  30.989  17.167  13.443
   41    HE3  TRP   6           HE3      TRP   6  26.935  20.533  14.021
   42    HZ2  TRP   6           HZ2      TRP   6  31.807  19.661  14.491
   43    HZ3  TRP   6           HZ3      TRP   6  28.412  22.204  15.004
   44    HH2  TRP   6           HH2      TRP   6  30.833  21.785  15.233
   45    H    ALA   7           HN       ALA   7  24.410  18.609  16.411
   46    HA   ALA   7           HA       ALA   7  22.637  20.437  15.068
   47    HB1  ALA   7           HB1      ALA   7  21.637  18.969  16.650
   48    HB2  ALA   7           HB2      ALA   7  21.617  20.640  17.306
   49    HB3  ALA   7           HB3      ALA   7  22.828  19.438  17.935
   50    H    ARG   8           HN       ARG   8  23.770  22.218  14.470
   51    HA   ARG   8           HA       ARG   8  25.540  23.495  16.401
   52    HB2  ARG   8           HB2      ARG   8  26.454  24.721  14.755
   53    HB3  ARG   8           HB1      ARG   8  26.239  23.061  14.153
   54    HG2  ARG   8           HG2      ARG   8  24.587  23.672  12.572
   55    HG3  ARG   8           HG1      ARG   8  24.257  25.270  13.317
   56    HD2  ARG   8           HD2      ARG   8  27.066  24.547  12.449
   57    HD3  ARG   8           HD1      ARG   8  25.853  25.168  11.206
   58    HE   ARG   8           HE       ARG   8  26.223  26.714  13.785
   59   HH11  ARG   8          HH11      ARG   8  27.201  26.557  10.358
   60   HH12  ARG   8          HH12      ARG   8  27.224  28.280  10.181
   61   HH21  ARG   8          HH21      ARG   8  26.013  28.978  13.399
   62   HH22  ARG   8          HH22      ARG   8  26.514  29.637  11.921
   63    H    ASP   9           HN       ASP   9  22.635  24.106  14.597
   64    HA   ASP   9           HA       ASP   9  22.338  26.774  15.566
   65    HB2  ASP   9           HB2      ASP   9  21.782  25.899  13.237
   66    HB3  ASP   9           HB1      ASP   9  20.330  25.120  13.946
   67    H    HIS  10           HN       HIS  10  20.159  27.528  16.213
   68    HA   HIS  10           HA       HIS  10  19.584  26.451  18.786
   69    HB2  HIS  10           HB2      HIS  10  17.948  28.686  17.472
   70    HB3  HIS  10           HB1      HIS  10  18.279  28.393  19.200
   71    HD1  HIS  10           HD1      HIS  10  21.239  28.409  19.457
   72    HD2  HIS  10           HD2      HIS  10  19.255  30.928  16.755
   73    HE1  HIS  10           HE1      HIS  10  22.585  30.611  19.260
   74    H    SER  11           HN       SER  11  18.336  25.790  15.709
   75    HA   SER  11           HA       SER  11  15.651  25.183  16.342
   76    HB2  SER  11           HB2      SER  11  15.754  24.166  14.012
   77    HB3  SER  11           HB1      SER  11  16.142  25.905  14.144
   78    HG   SER  11           HG       SER  11  17.672  24.831  12.871
   79    H    ARG  12           HN       ARG  12  16.613  23.968  18.248
   80    HA   ARG  12           HA       ARG  12  17.524  21.254  17.558
   81    HB2  ARG  12           HB2      ARG  12  18.996  22.594  18.994
   82    HB3  ARG  12           HB1      ARG  12  17.652  22.667  20.193
   83    HG2  ARG  12           HG2      ARG  12  17.869  20.139  20.399
   84    HG3  ARG  12           HG1      ARG  12  19.199  20.182  19.206
   85    HD2  ARG  12           HD2      ARG  12  20.585  21.557  20.727
   86    HD3  ARG  12           HD1      ARG  12  19.214  21.772  21.870
   87    HE   ARG  12           HE       ARG  12  20.867  19.331  21.482
   88   HH11  ARG  12          HH21      ARG  12  17.849  20.656  22.936
   89   HH12  ARG  12          HH22      ARG  12  17.675  19.330  24.025
   90   HH21  ARG  12          HH11      ARG  12  20.336  17.486  22.684
   91   HH22  ARG  12          HH12      ARG  12  19.009  17.499  23.791
   92    H    CYS  13           HN       CYS  13  15.003  21.214  16.987
   93    HA   CYS  13           HA       CYS  13  13.272  20.730  19.180
   94    HB2  CYS  13           HB2      CYS  13  12.504  19.637  16.457
   95    HB3  CYS  13           HB1      CYS  13  11.515  20.335  17.761
   96    H    CYS  14           HN       CYS  14  14.625  19.068  20.341
   97    HA   CYS  14           HA       CYS  14  14.630  16.450  19.084
   98    HB2  CYS  14           HB2      CYS  14  15.433  17.159  21.935
   99    HB3  CYS  14           HB1      CYS  14  15.752  15.648  20.993
  Start of MODEL   17
    1    H1   CYS   1           HT1      CYS   1  11.457  18.973  12.400
    2    H2   CYS   1           HT2      CYS   1  12.191  17.767  13.277
    3    H3   CYS   1           HT3      CYS   1  12.551  17.956  11.644
    4    HA   CYS   1           HA       CYS   1  13.427  20.218  12.214
    5    HB2  CYS   1           HB2      CYS   1  12.161  20.221  14.403
    6    HB3  CYS   1           HB1      CYS   1  13.338  19.070  15.048
    7    H    ASN   2           HN       ASN   2  15.694  20.589  12.680
    8    HA   ASN   2           HA       ASN   2  17.094  18.213  11.600
    9    HB2  ASN   2           HB2      ASN   2  18.962  20.339  11.572
   10    HB3  ASN   2           HB1      ASN   2  18.112  19.613  10.228
   11   HD21  ASN   2          HD21      ASN   2  17.507  22.151  12.849
   12   HD22  ASN   2          HD22      ASN   2  16.860  23.228  11.665
   13    H    CYS   3           HN       CYS   3  16.575  17.476  13.952
   14    HA   CYS   3           HA       CYS   3  18.854  18.096  15.676
   15    HB2  CYS   3           HB2      CYS   3  16.696  17.912  16.817
   16    HB3  CYS   3           HB1      CYS   3  16.429  16.333  16.115
   17    H    SER   4           HN       SER   4  20.227  17.227  13.697
   18    HA   SER   4           HA       SER   4  20.586  14.356  14.025
   19    HB2  SER   4           HB2      SER   4  20.694  15.463  11.780
   20    HB3  SER   4           HB1      SER   4  22.259  16.170  12.282
   21    HG   SER   4           HG       SER   4  22.397  14.113  11.165
   22    H    ARG   5           HN       ARG   5  23.386  14.228  13.777
   23    HA   ARG   5           HA       ARG   5  24.096  14.424  16.471
   24    HB2  ARG   5           HB2      ARG   5  24.954  12.698  14.933
   25    HB3  ARG   5           HB1      ARG   5  25.855  13.934  14.029
   26    HG2  ARG   5           HG2      ARG   5  27.061  14.480  16.284
   27    HG3  ARG   5           HG1      ARG   5  26.250  13.036  16.959
   28    HD2  ARG   5           HD2      ARG   5  28.253  13.111  14.609
   29    HD3  ARG   5           HD1      ARG   5  28.609  12.599  16.296
   30    HE   ARG   5           HE       ARG   5  26.681  10.846  15.899
   31   HH11  ARG   5          HH11      ARG   5  28.191  12.057  12.925
   32   HH12  ARG   5          HH12      ARG   5  28.412  10.468  12.268
   33   HH21  ARG   5          HH21      ARG   5  26.945   8.789  15.000
   34   HH22  ARG   5          HH22      ARG   5  27.378   8.664  13.323
   35    H    TRP   6           HN       TRP   6  24.929  16.563  13.720
   36    HA   TRP   6           HA       TRP   6  26.520  18.209  15.505
   37    HB2  TRP   6           HB2      TRP   6  26.539  17.715  12.629
   38    HB3  TRP   6           HB1      TRP   6  26.481  19.459  13.036
   39    HD1  TRP   6           HD1      TRP   6  29.184  17.056  12.500
   40    HE1  TRP   6           HE1      TRP   6  31.275  18.413  13.127
   41    HE3  TRP   6           HE3      TRP   6  27.008  20.666  15.286
   42    HZ2  TRP   6           HZ2      TRP   6  31.960  20.506  14.891
   43    HZ3  TRP   6           HZ3      TRP   6  28.417  22.327  16.407
   44    HH2  TRP   6           HH2      TRP   6  30.848  22.253  16.216
   45    H    ALA   7           HN       ALA   7  24.240  18.603  16.775
   46    HA   ALA   7           HA       ALA   7  22.573  20.500  15.404
   47    HB1  ALA   7           HB1      ALA   7  22.428  19.206  18.150
   48    HB2  ALA   7           HB2      ALA   7  21.597  18.684  16.633
   49    HB3  ALA   7           HB3      ALA   7  21.164  20.264  17.376
   50    H    ARG   8           HN       ARG   8  24.159  22.184  15.104
   51    HA   ARG   8           HA       ARG   8  25.199  23.532  17.453
   52    HB2  ARG   8           HB2      ARG   8  26.537  24.750  16.060
   53    HB3  ARG   8           HB1      ARG   8  26.563  23.031  15.545
   54    HG2  ARG   8           HG2      ARG   8  25.599  23.462  13.464
   55    HG3  ARG   8           HG1      ARG   8  24.768  24.954  13.971
   56    HD2  ARG   8           HD2      ARG   8  27.777  24.750  14.138
   57    HD3  ARG   8           HD1      ARG   8  27.007  25.203  12.518
   58    HE   ARG   8           HE       ARG   8  25.708  26.895  14.255
   59   HH11  ARG   8          HH21      ARG   8  29.257  26.535  13.580
   60   HH12  ARG   8          HH22      ARG   8  29.502  28.148  14.225
   61   HH21  ARG   8          HH11      ARG   8  26.471  28.570  15.646
   62   HH22  ARG   8          HH12      ARG   8  28.020  29.259  15.246
   63    H    ASP   9           HN       ASP   9  22.828  23.810  15.028
   64    HA   ASP   9           HA       ASP   9  22.257  26.510  15.093
   65    HB2  ASP   9           HB2      ASP   9  21.691  24.760  13.352
   66    HB3  ASP   9           HB1      ASP   9  20.345  24.198  14.399
   67    H    HIS  10           HN       HIS  10  20.260  27.608  15.751
   68    HA   HIS  10           HA       HIS  10  19.866  27.108  18.557
   69    HB2  HIS  10           HB2      HIS  10  18.501  29.346  16.985
   70    HB3  HIS  10           HB1      HIS  10  18.800  29.179  18.749
   71    HD1  HIS  10           HD1      HIS  10  19.810  31.662  17.506
   72    HD2  HIS  10           HD2      HIS  10  22.175  28.228  17.975
   73    HE1  HIS  10           HE1      HIS  10  22.284  32.385  17.735
   74    H    SER  11           HN       SER  11  18.308  26.112  15.721
   75    HA   SER  11           HA       SER  11  15.728  25.731  16.915
   76    HB2  SER  11           HB2      SER  11  15.208  24.489  14.816
   77    HB3  SER  11           HB1      SER  11  15.821  26.146  14.544
   78    HG   SER  11           HG       SER  11  17.762  25.350  13.948
   79    H    ARG  12           HN       ARG  12  16.910  24.574  18.838
   80    HA   ARG  12           HA       ARG  12  17.507  21.788  18.175
   81    HB2  ARG  12           HB2      ARG  12  18.957  22.784  19.888
   82    HB3  ARG  12           HB1      ARG  12  17.478  23.032  20.889
   83    HG2  ARG  12           HG2      ARG  12  17.204  20.498  20.929
   84    HG3  ARG  12           HG1      ARG  12  18.690  20.366  19.917
   85    HD2  ARG  12           HD2      ARG  12  20.084  21.261  21.749
   86    HD3  ARG  12           HD1      ARG  12  18.612  21.744  22.659
   87    HE   ARG  12           HE       ARG  12  18.095  19.443  23.135
   88   HH11  ARG  12          HH11      ARG  12  21.051  19.418  21.057
   89   HH12  ARG  12          HH12      ARG  12  21.255  17.720  21.325
   90   HH21  ARG  12          HH21      ARG  12  18.461  17.405  23.473
   91   HH22  ARG  12          HH22      ARG  12  19.865  16.568  22.844
   92    H    CYS  13           HN       CYS  13  15.344  21.118  17.449
   93    HA   CYS  13           HA       CYS  13  13.223  21.210  19.426
   94    HB2  CYS  13           HB2      CYS  13  12.847  19.843  16.770
   95    HB3  CYS  13           HB1      CYS  13  11.715  20.782  17.761
   96    H    CYS  14           HN       CYS  14  15.486  19.419  20.065
   97    HA   CYS  14           HA       CYS  14  15.049  16.937  18.873
   98    HB2  CYS  14           HB2      CYS  14  16.622  17.513  21.417
   99    HB3  CYS  14           HB1      CYS  14  16.689  16.044  20.366
  Start of MODEL   18
    1    H1   CYS   1           HT1      CYS   1  16.070  15.403  11.492
    2    H2   CYS   1           HT2      CYS   1  14.481  15.357  11.990
    3    H3   CYS   1           HT3      CYS   1  15.711  15.434  13.127
    4    HA   CYS   1           HA       CYS   1  15.311  17.576  11.180
    5    HB2  CYS   1           HB2      CYS   1  13.324  17.151  12.840
    6    HB3  CYS   1           HB1      CYS   1  14.373  17.767  14.100
    7    H    ASN   2           HN       ASN   2  15.808  19.335  13.544
    8    HA   ASN   2           HA       ASN   2  18.762  19.184  13.287
    9    HB2  ASN   2           HB2      ASN   2  17.662  21.497  14.840
   10    HB3  ASN   2           HB1      ASN   2  19.065  21.332  13.786
   11   HD21  ASN   2          HD21      ASN   2  17.555  23.672  13.423
   12   HD22  ASN   2          HD22      ASN   2  16.443  23.465  12.146
   13    H    CYS   3           HN       CYS   3  16.745  17.748  15.361
   14    HA   CYS   3           HA       CYS   3  18.585  17.923  17.600
   15    HB2  CYS   3           HB2      CYS   3  16.118  17.682  17.938
   16    HB3  CYS   3           HB1      CYS   3  16.189  16.095  17.125
   17    H    SER   4           HN       SER   4  19.388  17.099  14.849
   18    HA   SER   4           HA       SER   4  20.205  14.338  15.094
   19    HB2  SER   4           HB2      SER   4  19.357  15.273  12.963
   20    HB3  SER   4           HB1      SER   4  20.731  16.406  12.895
   21    HG   SER   4           HG       SER   4  21.103  14.639  11.675
   22    H    ARG   5           HN       ARG   5  22.732  14.259  14.149
   23    HA   ARG   5           HA       ARG   5  24.270  15.313  16.253
   24    HB2  ARG   5           HB2      ARG   5  24.821  13.179  15.175
   25    HB3  ARG   5           HB1      ARG   5  25.090  13.977  13.606
   26    HG2  ARG   5           HG2      ARG   5  26.980  15.286  14.616
   27    HG3  ARG   5           HG1      ARG   5  26.718  14.444  16.187
   28    HD2  ARG   5           HD2      ARG   5  27.373  12.272  15.159
   29    HD3  ARG   5           HD1      ARG   5  27.533  13.096  13.538
   30    HE   ARG   5           HE       ARG   5  29.079  14.635  15.358
   31   HH11  ARG   5          HH21      ARG   5  29.215  11.536  13.650
   32   HH12  ARG   5          HH22      ARG   5  30.929  11.433  13.714
   33   HH21  ARG   5          HH11      ARG   5  31.343  14.399  15.636
   34   HH22  ARG   5          HH12      ARG   5  32.137  13.034  14.947
   35    H    TRP   6           HN       TRP   6  23.776  16.383  12.902
   36    HA   TRP   6           HA       TRP   6  25.477  18.637  13.176
   37    HB2  TRP   6           HB2      TRP   6  23.690  17.532  11.002
   38    HB3  TRP   6           HB1      TRP   6  23.904  19.291  11.050
   39    HD1  TRP   6           HD1      TRP   6  25.896  16.514   9.582
   40    HE1  TRP   6           HE1      TRP   6  28.114  17.598   8.812
   41    HE3  TRP   6           HE3      TRP   6  25.537  20.855  12.119
   42    HZ2  TRP   6           HZ2      TRP   6  29.351  20.137   9.012
   43    HZ3  TRP   6           HZ3      TRP   6  27.198  22.641  11.689
   44    HH2  TRP   6           HH2      TRP   6  29.042  22.284  10.143
   45    H    ALA   7           HN       ALA   7  24.088  18.827  15.478
   46    HA   ALA   7           HA       ALA   7  22.077  20.866  15.015
   47    HB1  ALA   7           HB1      ALA   7  21.688  19.162  16.710
   48    HB2  ALA   7           HB2      ALA   7  21.768  20.819  17.406
   49    HB3  ALA   7           HB3      ALA   7  23.172  19.689  17.610
   50    H    ARG   8           HN       ARG   8  23.312  22.591  14.030
   51    HA   ARG   8           HA       ARG   8  25.715  23.574  15.261
   52    HB2  ARG   8           HB2      ARG   8  25.841  23.743  12.995
   53    HB3  ARG   8           HB1      ARG   8  24.089  23.852  12.753
   54    HG2  ARG   8           HG2      ARG   8  23.998  26.174  13.398
   55    HG3  ARG   8           HG1      ARG   8  25.791  26.206  13.701
   56    HD2  ARG   8           HD2      ARG   8  26.080  25.304  11.379
   57    HD3  ARG   8           HD1      ARG   8  24.304  25.555  11.044
   58    HE   ARG   8           HE       ARG   8  25.271  28.047  12.088
   59   HH11  ARG   8          HH21      ARG   8  25.508  26.140   9.075
   60   HH12  ARG   8          HH22      ARG   8  25.652  27.584   8.124
   61   HH21  ARG   8          HH11      ARG   8  25.139  29.785  10.805
   62   HH22  ARG   8          HH12      ARG   8  24.990  29.633   9.064
   63    H    ASP   9           HN       ASP   9  22.361  24.556  14.761
   64    HA   ASP   9           HA       ASP   9  22.830  26.944  16.342
   65    HB2  ASP   9           HB2      ASP   9  21.659  26.969  14.086
   66    HB3  ASP   9           HB1      ASP   9  20.305  26.061  14.840
   67    H    HIS  10           HN       HIS  10  21.348  27.564  18.068
   68    HA   HIS  10           HA       HIS  10  20.817  25.473  19.858
   69    HB2  HIS  10           HB2      HIS  10  19.629  28.288  20.113
   70    HB3  HIS  10           HB1      HIS  10  20.020  27.099  21.399
   71    HD1  HIS  10           HD1      HIS  10  22.938  26.433  20.833
   72    HD2  HIS  10           HD2      HIS  10  21.281  30.289  20.742
   73    HE1  HIS  10           HE1      HIS  10  24.685  28.109  21.779
   74    H    SER  11           HN       SER  11  18.736  26.836  17.393
   75    HA   SER  11           HA       SER  11  16.329  26.165  18.754
   76    HB2  SER  11           HB2      SER  11  15.186  26.925  16.712
   77    HB3  SER  11           HB1      SER  11  16.335  28.122  17.369
   78    HG   SER  11           HG       SER  11  17.758  27.649  15.754
   79    H    ARG  12           HN       ARG  12  17.143  23.866  19.022
   80    HA   ARG  12           HA       ARG  12  16.948  22.293  16.633
   81    HB2  ARG  12           HB2      ARG  12  17.130  20.994  19.374
   82    HB3  ARG  12           HB1      ARG  12  17.668  20.357  17.824
   83    HG2  ARG  12           HG2      ARG  12  19.665  21.866  17.822
   84    HG3  ARG  12           HG1      ARG  12  18.957  22.786  19.188
   85    HD2  ARG  12           HD2      ARG  12  18.950  20.677  20.535
   86    HD3  ARG  12           HD1      ARG  12  19.953  19.869  19.256
   87    HE   ARG  12           HE       ARG  12  21.520  22.032  19.694
   88   HH11  ARG  12          HH21      ARG  12  19.956  19.863  22.050
   89   HH12  ARG  12          HH22      ARG  12  20.994  20.412  23.353
   90   HH21  ARG  12          HH11      ARG  12  22.746  22.793  21.507
   91   HH22  ARG  12          HH12      ARG  12  22.592  21.876  23.007
   92    H    CYS  13           HN       CYS  13  15.426  20.393  16.278
   93    HA   CYS  13           HA       CYS  13  12.864  21.383  16.888
   94    HB2  CYS  13           HB2      CYS  13  13.489  18.810  15.392
   95    HB3  CYS  13           HB1      CYS  13  12.106  19.918  15.194
   96    H    CYS  14           HN       CYS  14  14.714  19.312  18.693
   97    HA   CYS  14           HA       CYS  14  12.893  17.174  19.138
   98    HB2  CYS  14           HB2      CYS  14  15.431  18.122  20.513
   99    HB3  CYS  14           HB1      CYS  14  14.285  17.231  21.488
  Start of MODEL   19
    1    H1   CYS   1           HT1      CYS   1  12.530  17.933  11.983
    2    H2   CYS   1           HT2      CYS   1  11.647  18.687  13.218
    3    H3   CYS   1           HT3      CYS   1  12.683  17.403  13.560
    4    HA   CYS   1           HA       CYS   1  13.474  20.095  12.626
    5    HB2  CYS   1           HB2      CYS   1  12.681  19.773  15.053
    6    HB3  CYS   1           HB1      CYS   1  14.014  18.657  15.294
    7    H    ASN   2           HN       ASN   2  15.766  20.412  12.370
    8    HA   ASN   2           HA       ASN   2  17.095  17.899  11.490
    9    HB2  ASN   2           HB2      ASN   2  18.633  20.517  11.257
   10    HB3  ASN   2           HB1      ASN   2  18.827  18.957  10.510
   11   HD21  ASN   2          HD21      ASN   2  16.374  21.704  10.562
   12   HD22  ASN   2          HD22      ASN   2  16.325  21.627   8.828
   13    H    CYS   3           HN       CYS   3  16.708  17.353  13.880
   14    HA   CYS   3           HA       CYS   3  18.873  18.216  15.595
   15    HB2  CYS   3           HB2      CYS   3  16.590  17.912  16.508
   16    HB3  CYS   3           HB1      CYS   3  16.662  16.188  16.128
   17    H    SER   4           HN       SER   4  20.105  17.387  13.559
   18    HA   SER   4           HA       SER   4  20.887  14.667  13.568
   19    HB2  SER   4           HB2      SER   4  22.321  17.095  12.340
   20    HB3  SER   4           HB1      SER   4  22.426  15.390  11.792
   21    HG   SER   4           HG       SER   4  20.979  16.745  10.578
   22    H    ARG   5           HN       ARG   5  23.552  14.330  13.783
   23    HA   ARG   5           HA       ARG   5  23.797  14.710  16.493
   24    HB2  ARG   5           HB2      ARG   5  24.619  12.767  15.358
   25    HB3  ARG   5           HB1      ARG   5  25.841  13.712  14.457
   26    HG2  ARG   5           HG2      ARG   5  26.921  14.308  16.671
   27    HG3  ARG   5           HG1      ARG   5  25.723  13.269  17.512
   28    HD2  ARG   5           HD2      ARG   5  26.593  11.248  16.280
   29    HD3  ARG   5           HD1      ARG   5  27.758  12.338  15.400
   30    HE   ARG   5           HE       ARG   5  27.783  12.500  18.390
   31   HH11  ARG   5          HH11      ARG   5  29.146  10.716  15.618
   32   HH12  ARG   5          HH12      ARG   5  30.748  10.665  16.284
   33   HH21  ARG   5          HH21      ARG   5  29.971  12.334  19.282
   34   HH22  ARG   5          HH22      ARG   5  31.044  11.203  18.507
   35    H    TRP   6           HN       TRP   6  25.558  16.453  13.886
   36    HA   TRP   6           HA       TRP   6  26.536  18.344  15.816
   37    HB2  TRP   6           HB2      TRP   6  27.073  17.837  12.963
   38    HB3  TRP   6           HB1      TRP   6  26.786  19.563  13.325
   39    HD1  TRP   6           HD1      TRP   6  29.740  17.322  13.503
   40    HE1  TRP   6           HE1      TRP   6  31.544  18.616  14.835
   41    HE3  TRP   6           HE3      TRP   6  26.803  20.856  15.550
   42    HZ2  TRP   6           HZ2      TRP   6  31.721  21.123  16.169
   43    HZ3  TRP   6           HZ3      TRP   6  27.808  22.657  16.876
   44    HH2  TRP   6           HH2      TRP   6  30.238  22.784  17.185
   45    H    ALA   7           HN       ALA   7  24.059  18.402  16.656
   46    HA   ALA   7           HA       ALA   7  22.468  20.259  15.239
   47    HB1  ALA   7           HB1      ALA   7  21.453  18.639  16.685
   48    HB2  ALA   7           HB2      ALA   7  21.098  20.308  17.245
   49    HB3  ALA   7           HB3      ALA   7  22.329  19.301  18.120
   50    H    ARG   8           HN       ARG   8  23.946  21.965  14.778
   51    HA   ARG   8           HA       ARG   8  25.262  23.312  16.953
   52    HB2  ARG   8           HB2      ARG   8  26.608  24.273  15.399
   53    HB3  ARG   8           HB1      ARG   8  26.106  22.714  14.663
   54    HG2  ARG   8           HG2      ARG   8  24.533  23.862  13.173
   55    HG3  ARG   8           HG1      ARG   8  24.976  25.467  13.844
   56    HD2  ARG   8           HD2      ARG   8  27.087  23.481  12.992
   57    HD3  ARG   8           HD1      ARG   8  26.307  24.492  11.682
   58    HE   ARG   8           HE       ARG   8  27.059  26.526  12.973
   59   HH11  ARG   8          HH11      ARG   8  28.872  23.532  13.641
   60   HH12  ARG   8          HH12      ARG   8  30.100  24.362  14.564
   61   HH21  ARG   8          HH21      ARG   8  29.028  27.479  13.434
   62   HH22  ARG   8          HH22      ARG   8  30.292  26.624  14.208
   63    H    ASP   9           HN       ASP   9  22.464  23.710  15.016
   64    HA   ASP   9           HA       ASP   9  22.255  26.535  15.197
   65    HB2  ASP   9           HB2      ASP   9  20.113  24.496  14.368
   66    HB3  ASP   9           HB1      ASP   9  20.138  26.256  13.963
   67    H    HIS  10           HN       HIS  10  20.334  27.686  16.026
   68    HA   HIS  10           HA       HIS  10  19.914  27.064  18.752
   69    HB2  HIS  10           HB2      HIS  10  18.293  29.116  17.142
   70    HB3  HIS  10           HB1      HIS  10  18.464  28.962  18.911
   71    HD1  HIS  10           HD1      HIS  10  19.242  31.586  17.748
   72    HD2  HIS  10           HD2      HIS  10  21.952  28.478  18.520
   73    HE1  HIS  10           HE1      HIS  10  21.503  32.621  18.515
   74    H    SER  11           HN       SER  11  18.091  26.381  15.868
   75    HA   SER  11           HA       SER  11  15.694  25.555  16.988
   76    HB2  SER  11           HB2      SER  11  17.142  24.533  14.480
   77    HB3  SER  11           HB1      SER  11  15.399  24.313  14.868
   78    HG   SER  11           HG       SER  11  16.813  26.647  14.185
   79    H    ARG  12           HN       ARG  12  16.732  24.458  18.930
   80    HA   ARG  12           HA       ARG  12  17.636  21.725  18.332
   81    HB2  ARG  12           HB2      ARG  12  19.009  23.074  19.891
   82    HB3  ARG  12           HB1      ARG  12  17.609  23.036  21.017
   83    HG2  ARG  12           HG2      ARG  12  17.933  20.505  21.132
   84    HG3  ARG  12           HG1      ARG  12  19.097  20.632  19.770
   85    HD2  ARG  12           HD2      ARG  12  20.560  22.106  21.278
   86    HD3  ARG  12           HD1      ARG  12  19.477  21.640  22.657
   87    HE   ARG  12           HE       ARG  12  20.065  19.166  21.686
   88   HH11  ARG  12          HH21      ARG  12  22.218  21.826  22.757
   89   HH12  ARG  12          HH22      ARG  12  23.570  20.756  22.803
   90   HH21  ARG  12          HH11      ARG  12  22.037  17.873  21.756
   91   HH22  ARG  12          HH12      ARG  12  23.477  18.693  22.297
   92    H    CYS  13           HN       CYS  13  15.232  21.621  17.580
   93    HA   CYS  13           HA       CYS  13  13.215  21.752  19.454
   94    HB2  CYS  13           HB2      CYS  13  12.673  20.205  16.923
   95    HB3  CYS  13           HB1      CYS  13  11.734  21.517  17.699
   96    H    CYS  14           HN       CYS  14  15.278  19.490  19.868
   97    HA   CYS  14           HA       CYS  14  14.483  17.235  18.618
   98    HB2  CYS  14           HB2      CYS  14  16.118  17.346  21.179
   99    HB3  CYS  14           HB1      CYS  14  16.197  16.100  19.886