*HEADER    CELL ADHESION                           03-MAR-02   1L3Y              
*TITLE     INTEGRIN EGF-LIKE MODULE 3 FROM THE BETA-2 SUBUNIT                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INTEGRIN BETA-2:CYSTEINE-RICH MODULE 3;                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 535-574;                                          
*COMPND   5 SYNONYM: CELL SURFACE ADHESION GLYCOPROTEINS LFA-                    
*COMPND   6 1/CR3/P150,95, CD18, BETA-SUBUNIT, COMPLEMENT RECEPTOR C3            
*COMPND   7 BETA-SUBUNIT;                                                        
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID                               
*KEYWDS    INTEGRIN, BETA-2 SUBUNIT, CELL ADHESION, CYSTEINE-RICH                
*KEYWDS   2 MODULE, EGF-LIKE MODULE                                              
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    N.BEGLOVA, S.C.BLACKLOW, J.TAKAGI, T.A.SPRINGER                       
*REVDAT   1   01-APR-02 1L3Y    0                                                

assign (resid 2 and name HB1) (resid 2 and name HN ) 3.4 1.6 0.6
assign (resid 2 and name HB2 ) (resid 2 and name HN ) 3.4 1.6 0.6
assign (resid 3 and name HB# ) (resid 2 and name HN ) 4.2 2.4 2.3
!
assign (resid 2 and name HB1) (resid 3 and name HN ) 3.4 1.6 0.6
assign (resid 2 and name HB2 ) (resid 3 and name HN ) 3.4 1.6 0.6
assign (resid 3 and name HB#) (resid 3 and name HN ) 2.6 0.8 0.9
assign (resid 3 and name HN ) (resid 4 and name HN ) 4.2 2.4 1.8
assign (resid 25 and name HA ) (resid 3 and name HN )  3.4 1.6 0.6
assign (resid 25 and name HB2 ) (resid 3 and name HN )  4.2 2.4 1.8
!
assign (resid 3 and name HB#) (resid 4 and name HN ) 3.4 1.6 1.1
assign (resid 4 and name HG2#) (resid 4 and name HN ) 3.4 1.6 1.1 
assign (resid 3 and name HA ) (resid 4 and name HN ) 2.6 0.8 0.4
assign (resid 4 and name HB ) (resid 4 and name HN ) 4.2 2.4 1.8
assign (resid 4 and name HN ) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 5 and name HG2#) (resid 4 and name HN ) 4.2 2.4 2.3
assign (resid 5 and name HG2#) (resid 26 and name HN ) 3.4 1.6 1.1
!
assign (resid 5 and name HG2#) (resid 5 and name HN ) 3.4 1.6 1.1
assign (resid 5 and name HG12 ) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 5 and name HB ) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 6 and name HB#) (resid 5 and name HN ) 3.4 1.6 1.1
assign (resid 5 and name HD1#) (resid 5 and name HN ) 4.2 2.4 2.3
assign (resid 5 and name HG11) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 6 and name HN ) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 4 and name HA ) (resid 5 and name HN ) 3.4 1.6 0.6
assign (resid 4 and name HG2#) (resid 5 and name HN ) 4.2 2.4 2.3
assign (resid 3 and name HB#) (resid  5 and name HN ) 4.2 2.4 2.3
!
assign (resid 6 and name HB#) (resid 6 and name HN ) 2.6 0.8 0.9
assign (resid 5 and name HA ) (resid 6 and name HN ) 2.6 0.8 0.4
assign (resid 5 and name HB ) (resid 6 and name HN ) 3.4 1.6 0.6
assign (resid 5 and name HG1# ) (resid 6 and name HN ) 4.2 2.4 2.3
!!assign (resid 5 and name HG2#) (resid 6 and name HN ) 3.4 1.6  1.1
assign (resid 5 and name HG2#) (resid 6 and name HN ) 4.2 2.4 2.3
assign (resid 6 and name HN ) (resid 7 and name HN ) 4.2 2.4 1.8
assign (resid 5 and name HD1#) (resid 6 and name HN ) 4.2 2.4 2.3
!
assign (resid 6 and name HB#) (resid 7 and name HN ) 3.4 1.6 1.1
assign (resid 7 and name HB2) (resid 7 and name HN ) 2.6 0.8 0.4
assign (resid 7 and name HB1) (resid 7 and name HN ) 3.4 1.6 0.6
assign (resid 6 and name HA ) (resid 7 and name HN ) 2.6 0.8 0.4
!
assign (resid 7 and name HB2) (resid 8 and name HN ) 3.4 1.6 0.6
assign (resid 7 and name HB1) (resid 8 and name HN ) 2.6 0.8 0.4
assign (resid 8 and name HG2 ) (resid 8 and name HN ) 3.4 1.6 0.6
assign (resid 8 and name HG1) (resid 8 and name HN ) 3.4 1.6 0.6
assign (resid 8 and name HB1 ) (resid 8 and name HN ) 3.4 1.6 0.6
assign (resid 8 and name HB2) (resid 8 and name HN ) 2.6 0.8 0.4
assign (resid 7 and name HA ) (resid 8 and name HN ) 2.6 0.8 0.4
assign (resid 38 and name HB#) (resid 8 and name HN ) 4.2 2.4 2.3
!
assign (resid 8 and name HG1) (resid 9 and name HN ) 4.2 2.4 1.8
assign (resid 8 and name HG2 ) (resid 9 and name HN ) 4.2 2.4 1.8
assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.4 1.6 0.6
assign (resid 8 and name HB1) (resid 9 and name HN ) 3.4 1.6 0.6
assign (resid 9 and name HG#) (resid 9 and name HN ) 2.6 0.8 0.9
assign (resid 9 and name HB2 ) (resid 9 and name HN ) 3.4 1.6 0.6
assign (resid 9 and name HB1) (resid 9 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HB#) (resid 9 and name HN ) 4.2 2.4 2.3
assign (resid 8 and name HA ) (resid 9 and name HN ) 2.6 0.8 0.4
assign (resid 9 and name HD1 ) (resid 9 and name HN ) 4.2 2.4 1.8
assign (resid 9 and name HN ) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 15 and name HN ) (resid 9 and name HN ) 4.2 2.4 1.8
assign (resid 14 and name HA ) (resid 9 and name HN ) 4.2 2.4 1.8
!
assign (resid 9 and name HB1 ) (resid 10 and name HN ) 2.6 0.8 0.4
assign (resid 9 and name HB2 ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HB#) (resid 10 and name HN ) 3.4 1.6 1.1
assign (resid 9 and name HG#) (resid 10 and name HN ) 3.4 1.6 1.1
assign (resid 10 and name HB1) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 9 and name HA ) (resid 10 and name HN ) 2.6 0.8 0.4
assign (resid 10 and name HB2 ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HN ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 16 and name HN ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 10 and name HD#) (resid 10 and name HN ) 4.2 2.4 2.3
assign (resid 10 and name HN ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 15 and name HN ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 15 and name HA ) (resid 10 and name HN ) 3.4 1.6 0.6
assign (resid 14 and name HA ) (resid 10 and name HN ) 3.4 1.6 0.6
!
assign (resid 10 and name HA ) (resid 11 and name HN ) 2.6 0.8 0.4
assign (resid 11 and name HB1) (resid 11 and name HN ) 4.2 2.4 1.8
assign (resid 10 and name HD#) (resid 11 and name HN ) 4.2 2.4 2.3
assign (resid 11 and name HN ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 11 and name HB2 ) (resid 11 and name HN ) 3.4 1.6 0.6
!
assign (resid 11 and name HA ) (resid 12 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HN ) (resid 12 and name HN ) 3.4 1.6 0.6
!
assign (resid 9 and name HB1) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HB2) (resid 13 and name HN ) 2.6 0.8 0.4
assign (resid 13 and name HB1) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HG1) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 12 and name HA2 ) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 12 and name HA1 ) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HG2 ) (resid 13 and name HN ) 3.4 1.6 0.6
assign (resid 11 and name HB2 ) (resid 13 and name HN ) 4.2 2.4 1.8
!
assign (resid 14 and name HB ) (resid 14 and name HN ) 3.4 1.6 0.6
assign (resid 14 and name HG#) (resid 14 and name HN ) 3.4 1.6 1.6
!
assign (resid 14 and name HA ) (resid 15 and name HN ) 2.6 0.8 0.4
assign (resid 14 and name HG#) (resid 15 and name HN ) 3.4 1.6 1.6
assign (resid 38 and name HB# ) (resid 15 and name HN ) 3.4 1.6 1.1
assign (resid 15 and name HB1) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 15 and name HB2 ) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 16 and name HN ) (resid 15 and name HN ) 3.4 1.6 0.6
assign (resid 9 and name HA ) (resid 15 and name HN ) 2.6 0.8 0.4
assign (resid 9 and name HG# ) (resid 15 and name HN ) 4.2 2.4 2.3
assign (resid 9 and name HB1 ) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 14 and name HB ) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 7  and name HB1 ) (resid 15 and name HN ) 4.2 2.4 1.8
assign (resid 7  and name HB2 ) (resid 15 and name HN ) 4.2 2.4 1.8
!
assign (resid 15 and name HB1 ) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 10 and name HA) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 11 and name HN ) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 17 and name HN ) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 9 and name HA ) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 14 and name HA ) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 10 and name HB2 ) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 10 and name HB1 ) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HN ) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 37 and name HN ) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 16 and name HN ) (resid 38 and name HN ) 4.2 2.4 1.8
assign (resid 13 and name HB2) (resid 16 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HB1) (resid 16 and name HN ) 4.2 2.4 1.8
assign (resid 38 and name HB#) (resid 16 and name HN ) 3.4 1.6 1.1
!
assign (resid 9 and name HA)  (resid 17 and name HN ) 4.2 2.4 1.8
assign (resid 16 and name HA1 ) (resid 17 and name HN ) 3.4 1.6 0.6
assign (resid 16 and name HA2 ) (resid 17 and name HN ) 3.4 1.6 0.6
assign (resid 13 and name HB2 ) (resid 17 and name HN ) 3.4 1.6 0.6
assign (resid 14 and name HA ) (resid 17 and name HN ) 4.2 2.4 1.8
assign (resid 15 and name HB1) (resid 17 and name HN ) 4.2 2.4 1.8
assign (resid 15 and name HB2 ) (resid 17 and name HN ) 4.2 2.4 1.8
assign (resid 38 and name HB#) (resid 17 and name HN ) 4.2 2.4 2.3
assign (resid 13 and name HB1) (resid 17 and name HN ) 3.4 1.6 0.6
!
!
assign (resid 20 and name HN ) (resid 19 and name HN ) 3.4 1.6 0.6
assign (resid 18 and name HA ) (resid 19 and name HN ) 3.4 1.6 0.6
assign (resid 18 and name HG#) (resid 19 and name HN ) 4.2 2.4 2.3
assign (resid 18 and name HB#) (resid 19 and name HN ) 4.2 2.4 2.3
assign (resid 17 and name HA1) (resid 19 and name HN ) 4.2 2.4 1.8
assign (resid 17 and name HA2) (resid 19 and name HN ) 4.2 2.4 1.8
!
assign (resid 20 and name HG1) (resid 20 and name HN ) 3.4 1.6 0.6
assign (resid 20 and name HG2 ) (resid 20 and name HN ) 3.4 1.6 0.6
assign (resid 20 and name HB1) (resid 20 and name HN ) 3.4 1.6 0.6
assign (resid 20 and name HB2 ) (resid 20 and name HN ) 2.6 0.8 0.4
assign (resid 19 and name HA2 ) (resid 20 and name HN ) 3.4 1.6 0.6
assign (resid 19 and name HA1 ) (resid 20 and name HN ) 3.4 1.6 0
assign (resid 18 and name HA ) (resid 20 and name HN ) 3.4 1.6 0.6
!!!!resid 18 and name HA = resid 7 and name HA = resid 22  and name HA
assign (resid 31 and name HD2 ) (resid 20 and name HN ) 4.2 2.4 1.8
assign (resid 20 and name HN ) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 21 and name HN ) (resid 20 and name HN ) 2.6 0.8 0.4
!
assign (resid 20 and name HG2 ) (resid 21 and name HN ) 4.2 2.4 1.8
assign (resid 20 and name HB1) (resid 21 and name HN ) 3.4 1.6 0.6
assign (resid 20 and name HB2 ) (resid 21 and name HN ) 3.4 1.6 0.6
assign (resid 20 and name HG1) (resid 21 and name HN ) 4.2 2.4 1.8
assign (resid 20 and name HA ) (resid 21 and name HN ) 3.4 1.6 0.6
assign (resid 31 and name HD2 ) (resid 21 and name HN ) 4.2 2.4 1.8
assign (resid 21 and name HN ) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 30 and name HA ) (resid 21 and name HN ) 4.2 2.4 1.8
!
assign (resid 22 and name HG ) (resid 22 and name HN ) 3.4 1.6 0.6
assign (resid 22 and name HB#) (resid 22 and name HN ) 2.6 0.8 0.9
assign (resid 22 and name HD#) (resid 22 and name HN ) 3.4 1.6 1.6
assign (resid 29 and name HN ) (resid 22 and name HN ) 3.4 1.6 0.6
assign (resid 21 and name HA2 ) (resid 22 and name HN ) 2.6 0.8 0.4
assign (resid 29 and name HB#) (resid 22 and name HN ) 3.4 1.6 1.1
assign (resid 31 and name HN ) (resid 22 and name HN ) 4.2 2.4 1.8
assign (resid 21 and name HA1 ) (resid 22 and name HN ) 2.6 0.8 0.4
assign (resid 30 and name HA ) (resid 22 and name HN ) 3.4 1.6 0.6
!
assign (resid 22 and name HD#) (resid 23 and name HN ) 3.4 1.6 1.6
assign (resid 22 and name HG ) (resid 23 and name HN ) 3.4 1.6 0.6
assign (resid 22 and name HB#) (resid 23 and name HN ) 3.4 1.6 1.1
assign (resid 23 and name HB1) (resid 23 and name HN ) 2.6 0.8 0.4
assign (resid 23 and name HB2 ) (resid 23 and name HN ) 3.4 1.6 0.6
assign (resid 22 and name HA ) (resid 23 and name HN ) 2.6 0.8 0.4
!
assign (resid 24 and name HB1) (resid 24 and name HN ) 3.4 1.6 0.6
assign (resid 24 and name HB2 ) (resid 24 and name HN ) 3.4 1.6 0.6
assign (resid 23 and name HB1) (resid 24 and name HN ) 4.2 2.4 1.8
assign (resid 23 and name HB2 ) (resid 24 and name HN ) 4.2 2.4 1.8
assign (resid 24 and name HN ) (resid 24 and name HD#) 3.4 1.6 1.1
assign (resid 24 and name HD#) (resid 24 and name HN ) 4.2 2.4 2.3
assign (resid 28 and name HA ) (resid 24 and name HN ) 3.4 1.6 0.6
assign (resid 24 and name HN ) (resid 26 and name HN ) 4.2 2.4 1.8
assign (resid 27 and name HN ) (resid 24 and name HN ) 3.4 1.6 0.6
assign (resid 27 and name HB#) (resid 24 and name HN ) 3.4 1.6 1.1
assign (resid 27 and name HA) (resid 24 and name HN ) 3.4 1.6 0.6
!
assign (resid 25 and name HB2 ) (resid 25 and name HN ) 4.2 2.4 1.8
assign (resid 26 and name HN ) (resid 25 and name HN ) 4.2 2.4 1.8
assign (resid 2 and name HB2 ) (resid 25 and name HN ) 4.2 2.4 1.8
assign (resid 2 and name HB1 ) (resid 25 and name HN ) 4.2 2.4 1.8
!
assign (resid 3 and name HB#) (resid 26 and name HN ) 4.2 2.4 2.3
assign (resid 25 and name HA ) (resid 26 and name HN ) 2.6 0.8 0.4
assign (resid 5 and name HB ) (resid 26 and name HN ) 3.4 1.6 0.6
!
assign (resid 26 and name HA2 ) (resid 27 and name HN ) 3.4 1.6 0.6
assign (resid 26 and name HA1 ) (resid 27 and name HN ) 3.4 1.6 0.6
assign (resid 27 and name HB#) (resid 27 and name HN ) 3.4 1.6 1.1
assign (resid 27 and name HG2 ) (resid 27 and name HN ) 4.2 2.4 1.8
assign (resid 27 and name HD#) (resid 27 and name HN ) 4.2 2.4 2.3
!!assign (resid 27 and name HG1) (resid 27 and name HN ) 3.4 1.6 0.6
assign (resid 27 and name HG1) (resid 27 and name HN ) 4.2 2.4 1.8
assign (resid 28 and name HN ) (resid 27 and name HN ) 4.2 2.4 1.8
!
assign (resid 28 and name HB#) (resid 28 and name HN ) 2.6 0.8 0.9
assign (resid 27 and name HA ) (resid 28 and name HN ) 2.6 0.8 0.4
assign (resid 27 and name HB#) (resid 28 and name HN ) 3.4 1.6 1.1
assign (resid 27 and name HG#) (resid 28 and name HN ) 4.2 2.4 2.3
!
assign (resid 24 and name HD#) (resid 29 and name HN ) 4.2 2.4 2.3
assign (resid 28 and name HB#) (resid 29 and name HN ) 3.4 1.6 1.1
assign (resid 28 and name HA ) (resid 29 and name HN ) 2.6 0.8 0.4
assign (resid 23 and name HA ) (resid 29 and name HN ) 3.4 1.6 0.6
assign (resid 29 and name HB#) (resid 29 and name HN ) 2.6 0.8 0.9
assign (resid 29 and name HG2 ) (resid 29 and name HN ) 4.2 2.4 1.8
assign (resid 29 and name HG1) (resid 29 and name HN ) 4.2 2.4 1.8
assign (resid 30 and name HN ) (resid 29 and name HN ) 3.4 1.6 0.6
!
assign (resid 30 and name HB2 ) (resid 30 and name HN ) 3.4 1.6 0.6
assign (resid 30 and name HB1) (resid 30 and name HN ) 3.4 1.6 0.6
assign (resid 29 and name HB#) (resid 30 and name HN ) 3.4 1.6 1.1
assign (resid 29 and name HG2 ) (resid 30 and name HN ) 4.2 2.4 1.8
assign (resid 29 and name HG1) (resid 30 and name HN ) 4.2 2.4 1.8
!
assign (resid 20 and name HA) (resid 31 and name HN ) 4.2 2.4 1.8
assign (resid 30 and name HB1) (resid 31 and name HN ) 3.4 1.6 0.6
assign (resid 30 and name HB2 ) (resid 31 and name HN ) 3.4 1.6 0.6
assign (resid 30 and name HA ) (resid 31 and name HN ) 2.6 0.8 0.4
assign (resid 31 and name HD2 ) (resid 31 and name HN ) 3.4 1.6 0.6
!!assign (resid 32 and name HD2 ) (resid 31 and name HN ) 4.2 2.4 1.8
assign (resid 32 and name HD# ) (resid 31 and name HN ) 4.2 2.4 2.3
assign (resid 21 and name HA2 ) (resid 31 and name HN ) 3.4 1.6 0.6
assign (resid 21 and name HA1 ) (resid 31 and name HN ) 3.4 1.6 0.6
assign (resid 39 and name HB1 ) (resid 31 and name HN ) 4.2 2.4 1.8
assign (resid 39 and name HB2 ) (resid 31 and name HN ) 4.2 2.4 1.8
assign (resid 34 and name HD# ) (resid 31 and name HN ) 4.2 2.4 2.3
!
!
assign (resid 32 and name HA ) (resid 33 and name HN ) 2.6 0.8 0.4
assign (resid 34 and name HN ) (resid 33 and name HN ) 3.4 1.6 0.6
assign (resid 32 and name HB2 ) (resid 33 and name HN ) 3.4 1.6 0.6
assign (resid 32 and name HB1) (resid 33 and name HN ) 4.2 2.4 1.8
!
assign (resid 33 and name HA1 ) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 33 and name HA2 ) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HB1) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HD#) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HN ) (resid 34 and name HD#) 3.4 1.6 1.1
assign (resid 32 and name HA ) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HB2 ) (resid 34 and name HN ) 3.4 1.6 0.6
assign (resid 30 and name HB2 ) (resid 34 and name HN ) 4.2 2.4 1.8
assign (resid 30 and name HB1) (resid 34 and name HN ) 4.2 2.4 1.8
!
assign (resid 34 and name HA ) (resid 35 and name HN ) 2.6 0.8 0.4
assign (resid 34 and name HB2 ) (resid 35 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HB1) (resid 35 and name HN ) 3.4 1.6 0.6
assign (resid 35 and name HG#) (resid 35 and name HN ) 3.4 1.6 1.1
assign (resid 35 and name HB2 ) (resid 35 and name HN ) 3.4 1.6 0.6
assign (resid 35 and name HB1) (resid 35 and name HN ) 3.4 1.6 0.6
assign (resid 34 and name HD#) (resid 35 and name HN ) 4.2 2.4 2.3
assign (resid 35 and name HN ) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 41 and name HB#) (resid 35 and name HN ) 3.4 1.6 1.1
assign (resid 39 and name HA ) (resid 35 and name HN ) 4.2 2.4 1.8
assign (resid 36 and name HN ) (resid 35 and name HN ) 4.2 2.4 1.8
assign (resid 34 and name HN ) (resid 35 and name HN ) 4.2 2.4 1.8
!!!!resid 39 and name HA = resid 16 and name HA2
!
assign (resid 35 and name HB1) (resid 36 and name HN ) 2.6 0.8 0.4
assign (resid 35 and name HB2 ) (resid 36 and name HN ) 2.6 0.8 0.4
!
assign (resid 36 and name HA2 ) (resid 37 and name HN ) 2.6 0.8 0.4
assign (resid 37 and name HB#) (resid 37 and name HN ) 2.6 0.8 0.9
assign (resid 38 and name HN ) (resid 37 and name HN ) 3.4 1.6 0.6
assign (resid 36 and name HN ) (resid 37 and name HN ) 4.2 2.4 1.8
assign (resid 37 and name HN ) (resid 40 and name HE22 ) 4.2 2.4 1.8
!
assign (resid 37 and name HA ) (resid 38 and name HN ) 3.4 1.6 0.6
assign (resid 37 and name HB#) (resid 38 and name HN ) 4.2 2.4 2.3
assign (resid 38 and name HB#) (resid 38 and name HN ) 2.6 0.8 0.9
assign (resid 40 and name HN ) (resid 38 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HN ) (resid 39 and name HN ) 2.6 0.8 0.4
assign (resid 40 and name HE22 ) (resid 38 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HN ) (resid 40 and name HE22 ) 3.4 1.6 0.6
assign (resid 36 and name HA2 ) (resid 38 and name HN ) 4.2 2.4 1.8
!
assign (resid 39 and name HB1) (resid 39 and name HN ) 3.4 1.6 0.6
assign (resid 39 and name HB2 ) (resid 39 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HA ) (resid 39 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HB#) (resid 39 and name HN ) 3.4 1.6 1.1
assign (resid 40 and name HN ) (resid 39 and name HN ) 3.4 1.6 0.6
assign (resid 37 and name HA ) (resid 39 and name HN ) 4.2 2.4 1.8
assign (resid 36 and name HA2 ) (resid 39 and name HN ) 4.2 2.4 1.8
assign (resid 36 and name HA1 ) (resid 39 and name HN ) 3.4 1.6 0.6
assign (resid 35 and name HN ) (resid 39 and name HN ) 4.2 2.4 1.8
assign (resid 37 and name HN ) (resid 39 and name HN ) 4.2 2.4 1.8
!
assign (resid 39 and name HA ) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HG2 ) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HG1) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 41 and name HN ) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HB2 ) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HB1) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 39 and name HB2 ) (resid 40 and name HN ) 4.2 2.4 1.8
assign (resid 39 and name HB1) (resid 40 and name HN ) 4.2 2.4 1.8
assign (resid 36 and name HA2 ) (resid 40 and name HN ) 4.2 2.4 1.8
assign (resid 36 and name HA1 ) (resid 40 and name HN ) 3.4 1.6 0.6
assign (resid 38 and name HB#) (resid 40 and name HN ) 3.4 1.6 1.1
assign (resid 41 and name HB#) (resid 40 and name HN ) 4.2 2.4 2.3
!
assign (resid 41 and name HB#) (resid 41 and name HN ) 2.6 0.8 0.9
assign (resid 40 and name HA ) (resid 41 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HG2 ) (resid 41 and name HN ) 4.2 2.4 1.8
assign (resid 39 and name HA ) (resid 41 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HG1) (resid 41 and name HN ) 3.4 1.6 0.6
assign (resid 40 and name HB1) (resid 41 and name HN ) 4.2 2.4 1.8
assign (resid 40 and name HB2) (resid 41 and name HN ) 4.2 2.4 1.8
!
assign  (resid 15 and name HB1 ) (resid 22 and name  HN) 4.2 2.4 1.8
assign  (resid 15 and name HB2 ) (resid 22 and name  HN) 4.2 2.4 1.8
!
!
assign (resid 2 and name SG ) (resid 25 and name SG) 2.02 0.05 0.05
assign (resid 2 and name SG ) (resid 25 and name CB) 2.99  0.05 0.05
assign (resid 2 and name CB ) (resid 25 and name SG) 2.99  0.05 0.05 
!
assign (resid 30 and name SG ) (resid 39 and name SG) 2.02 0.05 0.05
assign (resid 30 and name SG ) (resid 39 and name CB) 2.99  0.05 0.05 
assign (resid 30 and name CB ) (resid 39 and name SG) 2.99  0.05 0.05 
!
assign (resid 7  and name SG ) (resid 23 and name SG) 2.02 0.05 0.05
assign (resid 7  and name SG ) (resid 23 and name CB) 2.99  0.05 0.05
assign (resid 7  and name CB ) (resid 23 and name SG) 2.99  0.05 0.05
!
assign (resid 15  and name SG ) (resid 28 and name SG) 2.02 0.05 0.05
assign (resid 15  and name SG ) (resid 28 and name CB) 2.99  0.05 0.05
assign (resid 15  and name CB ) (resid 28 and name SG) 2.99  0.05 0.05
assign (resid 2 and name HB1 ) (resid 24 and name HA) 4.2 2.4 1.8
assign (resid 2 and name HB1 ) (resid 26 and name HA1) 4.2 2.4 1.8
assign (resid 19 and name HA2) (resid 31 and name HD2) 4.2 2.4 1.8
assign (resid 18 and name HA ) (resid 31 and name HE1) 4.2 2.4 1.8
assign (resid 10 and name HA ) (resid 10 and name HD#) 2.6 0.8 0.9
assign (resid 10 and name HA ) (resid 10 and name HE#) 4.2 2.4 2.3
assign (resid 31 and name HA ) (resid 31 and name HD1 ) 4.2 2.4 1.8
assign (resid 34 and name HA ) (resid 34 and name HD#) 2.6 0.8 0.9
assign (resid 31 and name HA ) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 20 and name HA ) (resid 34 and name HE#) 4.2 2.4 2.3
assign (resid 31 and name HA ) (resid 32 and name HD2 ) 2.6 0.8 0.4
assign (resid 31 and name HA ) (resid 32 and name HD1) 2.6 0.8 0.4
assign (resid 32 and name HA ) (resid 32 and name HG2 ) 3.4 1.6 0.6
assign (resid 32 and name HA ) (resid 32 and name HG1) 3.4 1.6 0.6
!!assign (resid 17 and name HA1 ) (resid 18 and name HD2 ) 2.6 0.8 0.4
assign (resid 17 and name HA1 ) (resid 18 and name HD2 ) 3.4 1.6 0.6
assign (resid 17 and name HA1 ) (resid 18 and name HD1) 3.4 1.6 0.6
assign (resid 17 and name HA2 ) (resid 18 and name HD2 ) 3.4 1.6 0.6
!!assign (resid 17 and name HA2 ) (resid 18 and name HD1) 2.6 0.8 0.4
assign (resid 17 and name HA2 ) (resid 18 and name HD1) 3.4 1.6 0.6
assign (resid 30 and name HA ) (resid 21 and name HA1 ) 3.4 1.6 0.6
assign (resid 30 and name HA ) (resid 21 and name HA2 ) 2.6 0.8 0.4
assign (resid 18 and name HA ) (resid 18 and name HD#) 4.2 2.4 2.3
assign (resid 22 and name HA ) (resid 22 and name HG ) 2.6 0.8 0.4
assign (resid 22 and name HA ) (resid 22 and name HD#) 3.4 1.6 1.6
assign (resid 20 and name HA ) (resid 20 and name HG1) 3.4 1.6 0.6
assign (resid 20 and name HA ) (resid 20 and name HG2 ) 3.4 1.6 0.6
assign (resid 40 and name HA ) (resid 40 and name HG2) 4.2 2.4 1.8
assign (resid 9 and name HA ) (resid 9 and name HB2 ) 2.6 0.8 0.4
assign (resid 9 and name HA ) (resid 9 and name HB1) 2.6 0.8 0.4
assign (resid 27 and name HA ) (resid 27 and name HG1) 4.2 2.4 1.8
assign (resid 27 and name HA ) (resid 27 and name HG2 ) 4.2 2.4 1.8
assign (resid 13 and name HA ) (resid 13 and name HG2 ) 4.2 2.4 1.8
assign (resid 13 and name HA ) (resid 13 and name HG1) 3.4 1.6 0.6
!!assign (resid 5 and name HA ) (resid 5 and name HG12 ) 3.4 1.6 0.6
assign (resid 5 and name HA ) (resid 5 and name HG12 ) 4.2 2.4 1.8
assign (resid 5 and name HA ) (resid 5 and name HG2#) 2.6 0.8 0.9
assign (resid 5 and name HA ) (resid 5 and name HD1#) 3.4 1.6 1.1
assign (resid 14 and name HA ) (resid 14 and name HG#) 2.6 0.8 1.4
assign (resid 18 and name HA ) (resid 18 and name HG#) 3.4 1.6 1.1
!!assign (resid 29 and name HA ) (resid 29 and name HD2 ) 3.4 1.6 0.6
assign (resid 29 and name HA ) (resid 29 and name HD2 ) 4.2 2.4 1.8
assign (resid 29 and name HA ) (resid 29 and name HD1) 4.2 2.4 1.8
!!assign (resid 29 and name HA ) (resid 29 and name HG2 ) 3.4 1.6 0.6
assign (resid 29 and name HA ) (resid 29 and name HG2 ) 4.2 2.4 1.8
assign (resid 8 and name HA ) (resid 8 and name HG2 ) 3.4 1.6 0.6
assign (resid 8 and name HA ) (resid 8 and name HG1) 3.4 1.6 0.6
assign (resid 8 and name HA ) (resid 9 and name HG#) 4.2 2.4 2.3
assign (resid 35 and name HA ) (resid 35 and name HG#) 3.4 1.6 1.1
assign (resid 4 and name HA ) (resid 4 and name HG2#) 2.6 0.8 0.9
assign (resid 33 and name HA1 ) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 30 and name HA ) (resid 31 and name HD1 ) 4.2 2.4 1.8
assign (resid 21 and name HA1 ) (resid 31 and name HD2) 4.2 2.4 2.3
assign (resid 16 and name HA1 ) (resid 10 and name HE#) 4.2 2.4 1.8
assign (resid 16 and name HA1 ) (resid 10 and name HD#) 3.4 1.6 1.1 
assign (resid 16 and name HA2 ) (resid 10 and name HD#) 3.4 1.6 1.1
assign (resid 16 and name HA2 ) (resid 10 and name HE#) 4.2 2.4 1.8
assign (resid 21 and name HA2 ) (resid 31 and name HD2) 4.2 2.4 2.3
assign (resid 32 and name HA ) (resid 33 and name HA2 ) 3.4 1.6 0.6
assign (resid 14 and name HA ) (resid 14 and name HG#) 2.6 0.8 1.4
assign (resid 2 and name HA ) (resid 25 and name HB2 ) 4.2 2.4 1.8
assign (resid 25 and name HA ) (resid 2 and name HB2 ) 3.4 1.6 0.6
assign (resid 25 and name HA ) (resid 2 and name HB1) 3.4 1.6 0.6
assign (resid 14 and name HA ) (resid 9 and name HG#) 3.4 1.6 1.1
assign (resid 31 and name HA ) (resid 32 and name HB2 ) 4.2 2.4 1.8
assign (resid 31 and name HA ) (resid 32 and name HB1 ) 4.2 2.4 1.8
assign (resid 31 and name HA ) (resid 32 and name HG2 ) 4.2 2.4 1.8
assign (resid 31 and name HA ) (resid 32 and name HG1) 3.4 1.6 0.6
assign (resid 5 and name HA ) (resid 5 and name HG11) 4.2 2.4 1.8
assign (resid 29 and name HA ) (resid 29 and name HG1) 4.2 2.4 1.8
assign (resid 21 and name HA1 ) (resid 15 and name HB2 ) 4.2 2.4 1.8
assign (resid 21 and name HA1 ) (resid 15 and name HB1) 4.2 2.4 1.8
assign (resid 35 and name HA ) (resid 30 and name HB1) 4.2 2.4 1.8
assign (resid 35 and name HA ) (resid 30 and name HB2) 4.2 2.4 1.8
assign (resid 26 and name HA2 ) (resid 5 and name HG2#) 3.4 1.6 1.1
assign (resid 26 and name HA1 ) (resid 5 and name HG2#) 4.2 2.4 1.8
assign (resid 17 and name HA2 ) (resid 13 and name HB1) 3.4 1.6 0.6
assign (resid 17 and name HA1 ) (resid 13 and name HB1) 3.4 1.6 0.6
assign (resid 17 and name HA1 ) (resid 13 and name HB2 ) 3.4 1.6 0.6
assign (resid 17 and name HA2 ) (resid 13 and name HB2 ) 3.4 1.6 0.6
assign (resid 29 and name HA ) (resid 28 and name HB#) 4.2 2.4 2.3
assign (resid 14 and name HA ) (resid 9 and name HB2) 3.4 1.6 0.6
assign (resid 39 and name HA ) (resid 38 and name HB#) 3.4 1.6 1.1
assign (resid 39 and name HA ) (resid 34 and name HB1) 4.2 2.4 1.8
assign (resid 39 and name HA ) (resid 34 and name HB2) 4.2 2.4 1.8
!assign (resid 16 and name HA2 ) (resid 13 and name HB1) 3.4 1.6 0.6
assign (resid 36 and name HA2 ) (resid 40 and name HE21 ) 4.2 2.4 1.8
assign (resid 36 and name HA1 ) (resid 40 and name HE21 ) 3.4 1.6 0.6
assign (resid 36 and name HA2 ) (resid 40 and name HE22 ) 4.2 2.4 1.8
assign (resid 36 and name HA1 ) (resid 40 and name HE22 ) 3.4 1.6 0.6
assign (resid 13 and name HA ) (resid 13 and name HE21 ) 3.4 1.6 0.6
assign (resid 38 and name HA ) (resid 15 and name HA ) 3.4 1.6 0.6
!assign (resid 16 and name HA1 ) (resid 15 and name HB2 ) 2.6 0.8 0.4
assign (resid 16 and name HA1 ) (resid 10 and name HB2 ) 3.4 1.6 0.6
assign (resid 16 and name HA2 ) (resid 10 and name HB1) 3.4 1.6 0.6
assign (resid 9 and name HA ) (resid 14 and name HA ) 3.4 1.6 0.6
assign (resid 16 and name HA1 ) (resid 10 and name HB1) 3.4 1.6 0.6
assign (resid 24 and name HA ) (resid 24 and name HD#) 2.6 0.8 0.9
assign (resid 40 and name HA ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 40 and name HA ) (resid 10 and name HE#) 4.2 2.4 2.3
assign (resid 20 and name HA ) (resid 34 and name HD#) 3.4 1.6 1.1
assign (resid 20 and name HA ) (resid 31 and name HD2 ) 3.4 1.6 0.6
assign (resid 26 and name HA2 ) (resid 5 and name HB ) 3.4 1.6 0.6
assign (resid 26 and name HA1 ) (resid 5 and name HB ) 4.2 2.4 1.8
assign (resid 22 and name HA ) (resid 15 and name HB2 ) 3.4 1.6 0.6
assign (resid 22 and name HA ) (resid 15 and name HB1) 3.4 1.6 0.6
assign (resid 26 and name HA2 ) (resid 5 and name HG2#) 4.2 2.4 2.3
assign (resid 26 and name HA1 ) (resid 5 and name HG2#) 4.2 2.4 2.3
! add resid 26 HA2,HA1 x resid 5 HD1#
assign (resid 26 and name HA2 ) (resid 5 and name HD1#) 4.2 2.4 2.3
assign (resid 26 and name HA1 ) (resid 5 and name HD1#) 4.2 2.4 2.3
assign (resid 6 and name HB#) (resid 6 and name HD21 ) 3.4 1.6 1.1
assign (resid 6 and name HB#) (resid 6 and name HD22 ) 3.4 1.6 1.1
assign (resid 5 and name HG2#) (resid 6 and name HD2# ) 4.2 2.4 2.8
assign (resid 5 and name HD1#) (resid 6 and name HD2# ) 4.2 2.4 2.8
assign (resid 10 and name HB2) (resid 10 and name HD#) 2.6 0.8 0.4
assign (resid 10 and name HB1) (resid 10 and name HE#) 3.4 1.6 1.1
assign (resid 10 and name HB1 ) (resid 10 and name HD#) 2.6 0.8 0.4
assign (resid 10 and name HB2 ) (resid 10 and name HE#) 3.4 1.6 1.1
assign (resid 40 and name HG1 ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 40 and name HG2 ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 40 and name HG1 ) (resid 10 and name HE#) 4.2 2.4 2.3
assign (resid 40 and name HG2 ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 11 and name HB1) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 11 and name HB2) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 11 and name HB1) (resid 11 and name HD22 ) 4.2 2.4 1.8
assign (resid 11 and name HB2 ) (resid 11 and name HD22 ) 4.2 2.4 1.8
!!assign (resid 11 and name HB1) (resid 11 and name HD21 ) 3.4 1.6 0.6
!!assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 3.4 1.6 0.6
assign (resid 11 and name HB1) (resid 11 and name HD21 ) 4.2 2.4 1.8
assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 4.2 2.4 1.8
!!!assign (resid 13 and name HG2 ) (resid 13 and name HE21 ) 3.4 1.6 0.6
!!!assign (resid 13 and name HG2 ) (resid 13 and name HE22 ) 4.2 2.4 1.8
assign (resid 31 and name HB1) (resid 31 and name HD2 ) 3.4 1.6 0.6
assign (resid 31 and name HB2 ) (resid 31 and name HD2 ) 3.4 1.6 0.6
assign (resid 20 and name HG2) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 20 and name HG1) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 20 and name HB1) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 20 and name HB2) (resid 31 and name HD2 ) 4.2 2.4 1.8
assign (resid 34 and name HB2 ) (resid 34 and name HD#) 3.4 1.6 0.6
assign (resid 34 and name HB1 ) (resid 34 and name HD#) 3.4 1.6 0.6
assign (resid 39 and name HB1) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 39 and name HB2) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 20 and name HG2) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 20 and name HB1) (resid 34 and name HD#) 4.2 2.4 2.3
assign (resid 20 and name HA) (resid 34 and name HZ) 4.2 2.4 1.8
assign (resid 20 and name HG1) (resid 34 and name HZ) 4.2 2.4 1.8 
assign (resid 40 and name HG1) (resid 40 and name HE22 ) 3.4 1.6 0.6
assign (resid 40 and name HG2 ) (resid 40 and name HE22 ) 3.4 1.6 0.6
assign (resid 40 and name HG2 ) (resid 40 and name HE21 ) 3.4 1.6 0.6
assign (resid 40 and name HG1) (resid 40 and name HE21 ) 3.4 1.6 0.6
assign (resid 20 and name HD2 ) (resid 20 and name HE ) 3.4 1.6 0.6
assign (resid 20 and name HD1 ) (resid 20 and name HE ) 3.4 1.6 0.6
assign (resid 20 and name HG2 ) (resid 20 and name HE ) 3.4 1.6 0.6
assign (resid 20 and name HB2 ) (resid 20 and name HE ) 3.4 1.6 0.6
assign (resid 20 and name HB1) (resid 20 and name HE ) 3.4 1.6 0.6
assign (resid 32 and name HD1) (resid 32 and name HB2 ) 3.4 1.6 0.6
assign (resid 32 and name HD2 ) (resid 32 and name HB2 ) 3.4 1.6 0.6
assign (resid 9 and name HB# ) (resid 9 and name HE ) 4.2 2.4 2.3
assign (resid 29 and name HD2 ) (resid 29 and name HE ) 3.4 1.6 0.6
assign (resid 20 and name HD2 ) (resid 20 and name HB1) 3.4 1.6 0.6
assign (resid 20 and name HD2 ) (resid 20 and name HB2 ) 3.4 1.6 0.6
assign (resid 20 and name HD1 ) (resid 20 and name HB1) 3.4 1.6 0.6
assign (resid 20 and name HD2 ) (resid 20 and name HB2 ) 3.4 1.6 0.6
assign (resid 29 and name HD1) (resid 29 and name HB2 ) 3.4 1.6 0.6
assign (resid 29 and name HD1) (resid 29 and name HB1) 3.4 1.6 0.6
assign (resid 29 and name HD2 ) (resid 29 and name HB2 ) 3.4 1.6 0.6
assign (resid 29 and name HD2 ) (resid 29 and name HB1) 3.4 1.6 0.6
!!assign (resid 18 and name HD1) (resid 18 and name HB#) 3.4 1.6 1.1
assign (resid 18 and name HD1) (resid 18 and name HB#) 4.2 2.4 2.3
assign (resid 18 and name HD2 ) (resid 18 and name HB#) 4.2 2.4 2.3
assign (resid 32 and name HD2) (resid 32 and name HB1) 3.4 1.6 0.6
assign (resid 4 and name HB ) (resid 4 and name HG2#) 3.4 1.6 1.1
!!assign (resid 31 and name HB2 ) (resid 34 and name HD#) 2.6 0.8 0.9
assign (resid 31 and name HB2 ) (resid 34 and name HD#) 4.2 2.4 2.3
!!assign (resid 31 and name HB1) (resid 34 and name HD#) 2.6 0.8 0.9
assign (resid 31 and name HB1) (resid 34 and name HD#) 4.2 2.4 2.3
!possible that resid 20 and name HD1 and HD2 x resid 34 and name QD#
assign (resid 22 and name HG ) (resid 24 and name HE#) 3.4 1.6 1.1
assign (resid 22 and name HD# ) (resid 24 and name HE#) 4.2 2.4 2.8
assign (resid 24 and name HB1) (resid 24 and name HE#) 4.2 2.4 2.8
assign (resid 24 and name HB2) (resid 24 and name HE#) 4.2 2.4 2.8
assign (resid 29 and name HB#) (resid 24 and name HD#) 4.2 2.4 2.8
assign (resid 29 and name HG2) (resid 24 and name HD#) 4.2 2.4 2.3
assign (resid 29 and name HG1) (resid 24 and name HD#) 4.2 2.4 2.3
assign (resid 29 and name HB#) (resid 24 and name HE#) 4.2 2.4 2.8
assign (resid 22 and name HB# ) (resid 24 and name HZ ) 4.2 2.4 1.8
assign (resid 32 and name HD2) (resid 31 and name HB1 ) 2.6 0.8 0.4
assign (resid 32 and name HD1 ) (resid 31 and name HB1 ) 3.4 1.6 0.6
assign (resid 30 and name HB2 ) (resid 34 and name HB1) 3.4 1.6 0.6
assign (resid 22 and name HB#) (resid 22 and name HD2#) 3.4 1.6 1.6
assign (resid 22 and name HB#) (resid 22 and name HD1#) 3.4 1.6 1.6
assign (resid 5 and name HB ) (resid 5 and name HD1#) 3.4 1.6 1.1
assign (resid 5 and name HB ) (resid 5 and name HG2#) 2.6 0.8 0.9
assign (resid 27 and name HD#) (resid 27 and name HG1) 2.6 0.8 0.9
assign (resid 27 and name HD#) (resid 27 and name HG2 ) 2.6 0.8 0.9
assign (resid 30 and name HB2 ) (resid 39 and name HB1) 3.4 1.6 0.6
assign (resid 20 and name HB1 ) (resid 39 and name HB1) 3.4 1.6 0.6
assign (resid 20 and name HB2 ) (resid 39 and name HB1) 4.2 2.4 1.8
assign (resid 7 and name HB1) (resid 14 and name HB ) 3.4 1.6 0.6
assign (resid 3 and name HB#) (resid 5 and name HG2#) 3.4 1.6 1.6
assign (resid 3 and name HB#) (resid 5 and name HD1#) 4.2 2.4 2.3
assign (resid 8 and name HB2) (resid 38 and name HB#) 2.6 0.8 0.9
assign (resid 8 and name HB1) (resid 38 and name HB#) 3.4 1.6 1.1
assign (resid 40 and name HG1) (resid 41 and name HB#) 3.4 1.6 1.1
assign (resid 35 and name HG#) (resid 41 and name HB#) 4.2 2.4 2.3
assign (resid 35 and name HB2 ) (resid 41 and name HB#) 3.4 1.6 1.1
assign (resid 35 and name HB1 ) (resid 41 and name HB#) 3.4 1.6 1.1
assign (resid 10 and name HB1 ) (resid 38 and name HB#) 2.6 0.8 0.9
assign (resid 10 and name HB2 ) (resid 38 and name HB#) 3.4 1.6 1.1
assign (resid 18 and name HB#) (resid 22 and name HD2#) 3.4 1.6 1.1
assign (resid 7 and name HB1) (resid 14 and name HG#)  3.4 1.6 1.6
assign (resid 7 and name HB2 ) (resid 14 and name HG#) 3.4 1.6 1.6
assign (resid 3 and name HB#) (resid 4 and name HG2#) 4.2 2.4 2.3
!!assign (resid 39 and name HB1) (resid 20 and name HB1) 3.4 1.6 0.6
!!assign (resid 39 and name HB1) (resid 20 and name HB2 ) 3.4 1.6 0.6
assign (resid 39 and name HB1) (resid 20 and name HB1) 4.2 2.4 1.8
assign (resid 39 and name HB1) (resid 20 and name HB2) 4.2 2.4 1.8
!resid 24 and name HB1 =resid 39 and name B1
!resid 20 and name HB2 =resid 22 and name HB#
!resid 20 and name HB1 =resid 22 and name HG
assign (resid 38 and name HB#) (resid 40 and name HE22 ) 3.4 1.6 1.1
assign (resid 30 and name HB2 ) (resid 34 and name HB2 ) 3.4 1.6 0.6
assign (resid 38 and name HB#) (resid 10 and name HD#) 3.4 1.6 1.6
assign (resid 40 and name HB1) (resid 10 and name HD#) 3.4 1.6 1.6
assign (resid 40 and name HB2) (resid 10 and name HD#) 3.4 1.6 1.6
!!assign (resid 13 and name HB2 ) (resid 10 and name HD#) 3.4 1.6 1.1
assign (resid 13 and name HB2 ) (resid 10 and name HD#) 4.2 2.4 2.3
assign (resid 13 and name HB1 ) (resid 10 and name HD#) 4.2 2.4 2.3
!!assign (resid 20 and name HD1) (resid 10 and name HD#) 3.4 1.6 1.1
assign (resid 15 and name HB#) (resid 10 and name HD#) 4.2 2.4 2.8
!resid 20 and name HD1=resid 15 and name HB2=resid 31 and name HB1
assign (resid 40 and name HB1 ) (resid 10 and name HE#) 3.4 1.6 1.1
assign (resid 40 and name HB2 ) (resid 10 and name HE#) 4.2 2.4 2.3
assign (resid 13 and name HB1) (resid 10 and name HE#) 4.2 2.4 2.3
!!assign (resid 13 and name HB2 ) (resid 10 and name HE#) 3.4 1.6 1.1
assign (resid 13 and name HB2 ) (resid 10 and name HE#) 4.2 2.4 2.3
assign (resid 15 and name HB#) (resid 10 and name HE#) 4.2 2.4 2.8
!resid 20 and name HD1=resid 15 and name HB2=resid 31 and name HB1
!!assign (resid 24 and name HB1) (resid 24 and name HD#) 2.6 0.8 0.9
assign (resid 24 and name HB1) (resid 24 and name HD#) 3.4 1.6 1.1
assign (resid 29 and name HB#) (resid 24 and name HD#) 3.4 1.6 1.6
assign (resid 38 and name HB#) (resid 10 and name HE#) 4.2 2.4 2.8
assign (resid 22 and name HD#) (resid 24 and name HZ ) 4.2 2.4 2.8
assign (resid 24 and name HB2 ) (resid 24 and name HD#) 3.4 1.6 1.1
!!assign (resid 22 and name HD2#) (resid 31 and name HE1 ) 3.4 1.6 1.1
!!assign (resid 22 and name HD1#) (resid 31 and name HE1 ) 3.4 1.6 1.1
assign (resid 22 and name HD2#) (resid 31 and name HE1 ) 4.2 2.4 2.3
assign (resid 22 and name HD1#) (resid 31 and name HE1 ) 4.2 2.4 2.3
!!assign (resid 22 and name HG ) (resid 31 and name HE1 ) 3.4 1.6 0.6
assign (resid 22 and name HG ) (resid 31 and name HE1 ) 4.2 2.4 1.8
assign (resid 22 and name HB#) (resid 31 and name HE1 ) 4.2 2.4 2.3
assign (resid 25 and name HB1) (resid 24 and name HD#) 3.4 1.6 1.1
assign (resid 25 and name HB2) (resid 24 and name HD#) 4.2 2.4 2.3
assign (resid 30 and name HB2 ) (resid 39 and name HB2 ) 3.4 1.6 0.6
assign (resid 23 and name HB1) (resid 15 and name HB2) 4.2 2.4 1.8
assign (resid 14 and name HG#) (resid 15 and name HB2 ) 4.2 2.4 2.3
assign (resid 14 and name HG#) (resid 15 and name HB1 ) 4.2 2.4 2.3
assign (resid 25 and name HB2 ) (resid 2 and name HB2) 3.4 1.6 0.6
assign (resid 25 and name HB2 ) (resid 2 and name HB1) 4.2 2.4 1.8
assign (resid 22  and name HN) (resid 29 and name O)  1.8 0.3 0.5
assign (resid 22  and name N) (resid 29 and name O)   2.8 0.4 0.5
assign (resid 24  and name HN) (resid 27 and name O)  1.8 0.3 0.5
assign (resid 24  and name N) (resid 27 and name O)  2.8 0.4 0.5
assign (resid 31  and name HN) (resid 20 and name O)  1.8 0.3 0.5
assign (resid 31  and name N) (resid 20 and name O) 2.8 0.4 0.5

{ J coupling = 12.2 }
assign (resid 3 and name c )
       (resid 4 and name n )
       (resid 4 and name ca )
       (resid 4 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 12.0 }
assign (resid 4 and name c )
       (resid 5 and name n )
       (resid 5 and name ca )
       (resid 5 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 10.2 }
assign (resid 5 and name c )
       (resid 6 and name n )
       (resid 6 and name ca )
       (resid 6 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 1.0 }
assign (resid 7 and name c )
       (resid 8 and name n )
       (resid 8 and name ca )
       (resid 8 and name c )
 1.0 -60.0 35.0 2
 
{ J coupling = 12.7 }
assign (resid 8 and name c )
       (resid 9 and name n )
       (resid 9 and name ca )
       (resid 9 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 10.1 }
assign (resid 9 and name c )
       (resid 10 and name n )
       (resid 10 and name ca )
       (resid 10 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 9.3 }
assign (resid 10 and name c )
       (resid 11 and name n )
       (resid 11 and name ca )
       (resid 11 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 13.5 }
assign (resid 12 and name c )
       (resid 13 and name n )
       (resid 13 and name ca )
       (resid 13 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 14.6 }
assign (resid 19 and name c )
       (resid 20 and name n )
       (resid 20 and name ca )
       (resid 20 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 9.6 }
assign (resid 22 and name c )
       (resid 23 and name n )
       (resid 23 and name ca )
       (resid 23 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 12.8 }
assign (resid 23 and name c )
       (resid 24 and name n )
       (resid 24 and name ca )
       (resid 24 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 1.0 }
assign (resid 24 and name c )
       (resid 25 and name n )
       (resid 25 and name ca )
       (resid 25 and name c )
 1.0 -60.0 35.0 2
 
{ J coupling = 13.2 }
assign (resid 26 and name c )
       (resid 27 and name n )
       (resid 27 and name ca )
       (resid 27 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 8.2 }
assign (resid 27 and name c )
       (resid 28 and name n )
       (resid 28 and name ca )
       (resid 28 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 13 }
assign (resid 28 and name c )
       (resid 29 and name n )
       (resid 29 and name ca )
       (resid 29 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 8.9 }
assign (resid 29 and name c )
       (resid 30 and name n )
       (resid 30 and name ca )
       (resid 30 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 13.3 }
assign (resid 33 and name c )
       (resid 34 and name n )
       (resid 34 and name ca )
       (resid 34 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 13.6 }
assign (resid 34 and name c )
       (resid 35 and name n )
       (resid 35 and name ca )
       (resid 35 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 1.0 }
assign (resid 36 and name c )
       (resid 37 and name n )
       (resid 37 and name ca )
       (resid 37 and name c )
 1.0 -60.0 35.0 2
 
{ J coupling = 13.0 }
assign (resid 37 and name c )
       (resid 38 and name n )
       (resid 38 and name ca )
       (resid 38 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 9.6 }
assign (resid 38 and name c )
       (resid 39 and name n )
       (resid 39 and name ca )
       (resid 39 and name c )
 1.0 -120.0 35.0 2 
 
{ J coupling = 11.9 }
assign (resid 40 and name c )
       (resid 41 and name n )
       (resid 41 and name ca )
       (resid 41 and name c )
 1.0 -120.0 35.0 2 
 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1          HT1       GLU   1  45.681   6.441  -1.138
    2   2H    GLU   1          HT2       GLU   1  45.100   5.591   0.235
    3   3H    GLU   1          HT3       GLU   1  46.558   6.489   0.334
    4    HA   GLU   1           HA       GLU   1  43.797   7.446   0.144
    5   1HB   GLU   1          HB2       GLU   1  46.088   7.572   2.058
    6   2HB   GLU   1          HB1       GLU   1  44.947   8.910   2.030
    7   1HG   GLU   1          HG2       GLU   1  43.679   6.282   2.118
    8   2HG   GLU   1          HG1       GLU   1  44.696   6.635   3.515
    9    H    CYS   2           HN       CYS   2  47.140   8.158  -0.615
   10    HA   CYS   2           HA       CYS   2  46.473  10.889  -1.401
   11   1HB   CYS   2          HB2       CYS   2  48.529  10.584  -0.138
   12   2HB   CYS   2          HB1       CYS   2  49.122   9.424  -1.319
   13    H    ASP   3           HN       ASP   3  47.282   7.788  -2.776
   14    HA   ASP   3           HA       ASP   3  46.544   8.785  -5.415
   15   1HB   ASP   3          HB2       ASP   3  49.264   7.857  -4.646
   16   2HB   ASP   3          HB1       ASP   3  48.642   7.292  -6.194
   17    H    THR   4           HN       THR   4  46.571   6.880  -7.024
   18    HA   THR   4           HA       THR   4  45.088   4.697  -5.809
   19    HB   THR   4           HB       THR   4  44.499   4.061  -8.044
   20    HG1  THR   4           HG1      THR   4  46.449   4.208  -9.092
   21   1HG2  THR   4          HG21      THR   4  43.228   5.806  -8.644
   22   2HG2  THR   4          HG22      THR   4  44.582   6.936  -8.634
   23   3HG2  THR   4          HG23      THR   4  43.800   6.485  -7.119
   24    H    ILE   5           HN       ILE   5  47.250   4.356  -4.670
   25    HA   ILE   5           HA       ILE   5  48.568   2.116  -5.851
   26    HB   ILE   5           HB       ILE   5  49.840   4.799  -5.506
   27   1HG1  ILE   5          HG12      ILE   5  49.540   2.761  -7.555
   28   2HG1  ILE   5          HG11      ILE   5  49.920   4.469  -7.717
   29   1HG2  ILE   5          HG21      ILE   5  52.069   3.833  -5.254
   30   2HG2  ILE   5          HG22      ILE   5  51.349   2.237  -5.052
   31   3HG2  ILE   5          HG23      ILE   5  51.041   3.501  -3.861
   32   1HD1  ILE   5          HD11      ILE   5  51.699   3.253  -8.688
   33   2HD1  ILE   5          HD12      ILE   5  51.826   2.188  -7.288
   34   3HD1  ILE   5          HD13      ILE   5  52.295   3.883  -7.153
   35    H    ASN   6           HN       ASN   6  50.010   1.179  -4.144
   36    HA   ASN   6           HA       ASN   6  49.547   2.125  -1.470
   37   1HB   ASN   6          HB2       ASN   6  47.992   0.642  -0.794
   38   2HB   ASN   6          HB1       ASN   6  47.611   0.583  -2.511
   39   1HD2  ASN   6          HD21      ASN   6  49.547  -0.938  -3.559
   40   2HD2  ASN   6          HD22      ASN   6  49.505  -2.534  -2.899
   41    H    CYS   7           HN       CYS   7  50.811   1.145   0.112
   42    HA   CYS   7           HA       CYS   7  53.379   0.793  -0.205
   43   1HB   CYS   7          HB2       CYS   7  51.808  -1.070   1.568
   44   2HB   CYS   7          HB1       CYS   7  53.504  -0.634   1.746
   45    H    GLU   8           HN       GLU   8  54.859  -0.474  -1.004
   46    HA   GLU   8           HA       GLU   8  54.036  -2.899  -2.423
   47   1HB   GLU   8          HB2       GLU   8  56.760  -1.641  -2.475
   48   2HB   GLU   8          HB1       GLU   8  56.062  -2.732  -3.650
   49   1HG   GLU   8          HG2       GLU   8  54.312  -0.710  -3.831
   50   2HG   GLU   8          HG1       GLU   8  55.754   0.184  -3.351
   51    H    ARG   9           HN       ARG   9  54.185  -4.711  -1.272
   52    HA   ARG   9           HA       ARG   9  56.011  -4.860   0.964
   53   1HB   ARG   9          HB2       ARG   9  54.111  -6.945  -0.068
   54   2HB   ARG   9          HB1       ARG   9  54.999  -7.023   1.439
   55   1HG   ARG   9          HG2       ARG   9  53.363  -5.950   2.470
   56   2HG   ARG   9          HG1       ARG   9  53.557  -4.578   1.379
   57   1HD   ARG   9          HD2       ARG   9  51.255  -5.618   1.460
   58   2HD   ARG   9          HD1       ARG   9  51.970  -5.437  -0.142
   59    HE   ARG   9           HE       ARG   9  52.432  -8.005   1.082
   60   1HH1  ARG   9          HH11      ARG   9  50.277  -6.109  -0.905
   61   2HH1  ARG   9          HH12      ARG   9  49.569  -7.491  -1.672
   62   1HH2  ARG   9          HH21      ARG   9  51.502  -9.821   0.074
   63   2HH2  ARG   9          HH22      ARG   9  50.263  -9.598  -1.118
   64    H    TYR  10           HN       TYR  10  57.826  -5.913   1.072
   65    HA   TYR  10           HA       TYR  10  58.941  -6.980  -1.368
   66   1HB   TYR  10          HB2       TYR  10  61.093  -6.686  -0.345
   67   2HB   TYR  10          HB1       TYR  10  60.135  -5.261  -0.007
   68    HD1  TYR  10           HD1      TYR  10  58.596  -5.772   2.255
   69    HD2  TYR  10           HD2      TYR  10  62.474  -7.247   1.362
   70    HE1  TYR  10           HE1      TYR  10  59.047  -5.967   4.628
   71    HE2  TYR  10           HE2      TYR  10  62.943  -7.453   3.763
   72    HH   TYR  10           HH       TYR  10  61.309  -5.979   6.099
   73    H    ASN  11           HN       ASN  11  57.925  -8.056   1.685
   74    HA   ASN  11           HA       ASN  11  58.215 -10.808   0.870
   75   1HB   ASN  11          HB2       ASN  11  59.807  -9.680   3.169
   76   2HB   ASN  11          HB1       ASN  11  59.436 -11.397   3.034
   77   1HD2  ASN  11          HD21      ASN  11  59.956 -12.306   0.789
   78   2HD2  ASN  11          HD22      ASN  11  61.493 -11.859   0.140
   79    H    GLY  12           HN       GLY  12  58.088  -9.671   4.209
   80   1HA   GLY  12          HA2       GLY  12  55.265 -10.535   4.293
   81   2HA   GLY  12          HA1       GLY  12  56.410 -10.909   5.573
   82    H    GLN  13           HN       GLN  13  57.257  -7.900   4.620
   83    HA   GLN  13           HA       GLN  13  55.550  -6.678   6.673
   84   1HB   GLN  13          HB2       GLN  13  58.277  -5.850   5.645
   85   2HB   GLN  13          HB1       GLN  13  57.342  -4.937   6.813
   86   1HG   GLN  13          HG2       GLN  13  59.161  -6.375   7.765
   87   2HG   GLN  13          HG1       GLN  13  57.559  -6.591   8.462
   88   1HE2  GLN  13          HE21      GLN  13  59.243  -7.892   5.621
   89   2HE2  GLN  13          HE22      GLN  13  58.935  -9.549   5.986
   90    H    VAL  14           HN       VAL  14  57.208  -4.360   4.932
   91    HA   VAL  14           HA       VAL  14  55.554  -4.095   2.644
   92    HB   VAL  14           HB       VAL  14  54.984  -1.677   4.119
   93   1HG1  VAL  14          HG11      VAL  14  53.015  -3.708   3.119
   94   2HG1  VAL  14          HG12      VAL  14  53.910  -2.636   2.041
   95   3HG1  VAL  14          HG13      VAL  14  52.822  -1.960   3.253
   96   1HG2  VAL  14          HG21      VAL  14  53.627  -4.070   5.323
   97   2HG2  VAL  14          HG22      VAL  14  53.585  -2.391   5.861
   98   3HG2  VAL  14          HG23      VAL  14  55.059  -3.339   6.046
   99    H    CYS  15           HN       CYS  15  57.084  -3.358   1.328
  100    HA   CYS  15           HA       CYS  15  58.595  -1.954   0.384
  101   1HB   CYS  15          HB2       CYS  15  57.409  -0.325   2.483
  102   2HB   CYS  15          HB1       CYS  15  59.075   0.108   2.163
  103    H    GLY  16           HN       GLY  16  59.521  -4.127   1.959
  104   1HA   GLY  16          HA2       GLY  16  61.477  -4.885   2.904
  105   2HA   GLY  16          HA1       GLY  16  62.230  -3.465   2.238
  106    H    GLY  17           HN       GLY  17  59.607  -3.657   4.571
  107   1HA   GLY  17          HA2       GLY  17  59.386  -2.944   6.729
  108   2HA   GLY  17          HA1       GLY  17  61.090  -3.302   6.930
  109    HA   PRO  18           HA       PRO  18  59.914   1.438   6.491
  110   1HB   PRO  18          HB2       PRO  18  59.688   2.017   9.190
  111   2HB   PRO  18          HB1       PRO  18  58.329   1.799   8.082
  112   1HG   PRO  18          HG2       PRO  18  59.540  -0.143  10.004
  113   2HG   PRO  18          HG1       PRO  18  57.833   0.124   9.603
  114   1HD   PRO  18          HD2       PRO  18  59.196  -1.962   8.613
  115   2HD   PRO  18          HD1       PRO  18  57.971  -1.113   7.646
  116    H    GLY  19           HN       GLY  19  61.803  -0.453   8.791
  117   1HA   GLY  19          HA2       GLY  19  63.647   1.427   9.642
  118   2HA   GLY  19          HA1       GLY  19  64.017  -0.275   9.397
  119    H    ARG  20           HN       ARG  20  63.522  -0.327   6.596
  120    HA   ARG  20           HA       ARG  20  65.958   0.996   5.680
  121   1HB   ARG  20          HB2       ARG  20  64.281  -1.158   4.383
  122   2HB   ARG  20          HB1       ARG  20  65.805  -0.540   3.765
  123   1HG   ARG  20          HG2       ARG  20  66.965  -1.912   5.053
  124   2HG   ARG  20          HG1       ARG  20  66.097  -1.392   6.495
  125   1HD   ARG  20          HD2       ARG  20  64.778  -3.260   4.578
  126   2HD   ARG  20          HD1       ARG  20  65.986  -3.881   5.703
  127    HE   ARG  20           HE       ARG  20  63.907  -2.271   6.897
  128   1HH1  ARG  20          HH11      ARG  20  64.946  -5.489   6.026
  129   2HH1  ARG  20          HH12      ARG  20  63.921  -6.268   7.183
  130   1HH2  ARG  20          HH21      ARG  20  62.559  -3.298   8.421
  131   2HH2  ARG  20          HH22      ARG  20  62.566  -5.026   8.541
  132    H    GLY  21           HN       GLY  21  62.529   0.632   4.811
  133   1HA   GLY  21          HA2       GLY  21  62.597   3.261   3.587
  134   2HA   GLY  21          HA1       GLY  21  62.258   1.942   2.484
  135    H    LEU  22           HN       LEU  22  60.721   4.299   3.673
  136    HA   LEU  22           HA       LEU  22  58.437   2.890   4.821
  137   1HB   LEU  22          HB2       LEU  22  59.576   5.594   5.006
  138   2HB   LEU  22          HB1       LEU  22  57.827   5.562   4.877
  139    HG   LEU  22           HG       LEU  22  57.908   3.876   6.782
  140   1HD1  LEU  22          HD11      LEU  22  60.643   5.084   7.099
  141   2HD1  LEU  22          HD12      LEU  22  60.298   3.406   6.683
  142   3HD1  LEU  22          HD13      LEU  22  59.835   4.035   8.265
  143   1HD2  LEU  22          HD21      LEU  22  57.048   6.121   7.044
  144   2HD2  LEU  22          HD22      LEU  22  58.685   6.742   7.252
  145   3HD2  LEU  22          HD23      LEU  22  57.991   5.664   8.462
  146    H    CYS  23           HN       CYS  23  56.478   2.826   3.879
  147    HA   CYS  23           HA       CYS  23  56.291   3.582   1.080
  148   1HB   CYS  23          HB2       CYS  23  55.147   1.622   1.172
  149   2HB   CYS  23          HB1       CYS  23  54.875   1.759   2.903
  150    H    PHE  24           HN       PHE  24  54.748   5.120   0.267
  151    HA   PHE  24           HA       PHE  24  53.170   6.566   2.233
  152   1HB   PHE  24          HB2       PHE  24  55.564   7.756   0.872
  153   2HB   PHE  24          HB1       PHE  24  54.211   8.773   1.349
  154    HD1  PHE  24           HD1      PHE  24  53.351   7.927   3.858
  155    HD2  PHE  24           HD2      PHE  24  57.292   7.955   2.276
  156    HE1  PHE  24           HE1      PHE  24  54.270   7.970   6.161
  157    HE2  PHE  24           HE2      PHE  24  58.231   8.001   4.566
  158    HZ   PHE  24           HZ       PHE  24  56.710   8.019   6.507
  159    H    CYS  25           HN       CYS  25  52.471   8.688   1.055
  160    HA   CYS  25           HA       CYS  25  50.403   8.324  -0.522
  161   1HB   CYS  25          HB2       CYS  25  50.677  10.492   0.095
  162   2HB   CYS  25          HB1       CYS  25  52.431  10.429  -0.120
  163    H    GLY  26           HN       GLY  26  50.624   6.594  -1.976
  164   1HA   GLY  26          HA2       GLY  26  51.068   5.561  -3.968
  165   2HA   GLY  26          HA1       GLY  26  51.179   7.184  -4.627
  166    H    LYS  27           HN       LYS  27  53.426   6.269  -2.132
  167    HA   LYS  27           HA       LYS  27  55.442   5.399  -3.990
  168   1HB   LYS  27          HB2       LYS  27  55.578   8.097  -2.674
  169   2HB   LYS  27          HB1       LYS  27  57.016   7.273  -3.251
  170   1HG   LYS  27          HG2       LYS  27  54.658   8.067  -4.942
  171   2HG   LYS  27          HG1       LYS  27  56.203   8.911  -4.858
  172   1HD   LYS  27          HD2       LYS  27  57.179   6.566  -5.489
  173   2HD   LYS  27          HD1       LYS  27  55.547   6.273  -6.092
  174   1HE   LYS  27          HE2       LYS  27  56.069   8.735  -7.122
  175   2HE   LYS  27          HE1       LYS  27  57.672   8.000  -7.147
  176   1HZ   LYS  27          HZ1       LYS  27  55.929   7.692  -9.102
  177   2HZ   LYS  27          HZ2       LYS  27  55.467   6.377  -8.144
  178   3HZ   LYS  27          HZ3       LYS  27  57.060   6.498  -8.700
  179    H    CYS  28           HN       CYS  28  57.713   5.834  -2.566
  180    HA   CYS  28           HA       CYS  28  57.365   4.894   0.144
  181   1HB   CYS  28          HB2       CYS  28  57.291   2.850  -1.396
  182   2HB   CYS  28          HB1       CYS  28  58.976   3.195  -1.766
  183    H    ARG  29           HN       ARG  29  58.581   6.449   1.048
  184    HA   ARG  29           HA       ARG  29  61.010   7.383  -0.196
  185   1HB   ARG  29          HB2       ARG  29  59.248   8.263   1.995
  186   2HB   ARG  29          HB1       ARG  29  60.956   8.598   2.243
  187   1HG   ARG  29          HG2       ARG  29  60.807  10.366   0.927
  188   2HG   ARG  29          HG1       ARG  29  60.316   9.332  -0.417
  189   1HD   ARG  29          HD2       ARG  29  58.156   9.917  -0.237
  190   2HD   ARG  29          HD1       ARG  29  58.191   9.879   1.524
  191    HE   ARG  29           HE       ARG  29  59.589  12.130   0.451
  192   1HH1  ARG  29          HH11      ARG  29  56.425  10.910   1.277
  193   2HH1  ARG  29          HH12      ARG  29  55.739  12.484   1.503
  194   1HH2  ARG  29          HH21      ARG  29  58.689  14.202   0.749
  195   2HH2  ARG  29          HH22      ARG  29  57.024  14.352   1.202
  196    H    CYS  30           HN       CYS  30  62.483   5.772  -0.113
  197    HA   CYS  30           HA       CYS  30  63.125   4.587   2.477
  198   1HB   CYS  30          HB2       CYS  30  64.844   3.627   0.382
  199   2HB   CYS  30          HB1       CYS  30  63.685   2.744   1.358
  200    H    HIS  31           HN       HIS  31  65.482   4.281   2.971
  201    HA   HIS  31           HA       HIS  31  66.772   6.873   2.823
  202   1HB   HIS  31          HB2       HIS  31  67.967   4.459   4.155
  203   2HB   HIS  31          HB1       HIS  31  68.136   6.158   4.584
  204    HD1  HIS  31           HD1      HIS  31  64.994   6.719   4.586
  205    HD2  HIS  31           HD2      HIS  31  66.966   3.677   6.617
  206    HE1  HIS  31           HE1      HIS  31  63.477   6.089   6.491
  207    HE2  HIS  31           HE2      HIS  31  64.659   4.198   7.664
  208    HA   PRO  32           HA       PRO  32  69.754   6.067  -0.311
  209   1HB   PRO  32          HB2       PRO  32  71.912   6.999   1.461
  210   2HB   PRO  32          HB1       PRO  32  71.345   7.676  -0.067
  211   1HG   PRO  32          HG2       PRO  32  70.862   8.899   2.271
  212   2HG   PRO  32          HG1       PRO  32  69.686   8.924   0.944
  213   1HD   PRO  32          HD2       PRO  32  69.698   7.265   3.434
  214   2HD   PRO  32          HD1       PRO  32  68.337   8.055   2.609
  215    H    GLY  33           HN       GLY  33  70.195   4.092  -0.773
  216   1HA   GLY  33          HA2       GLY  33  72.017   2.501  -0.783
  217   2HA   GLY  33          HA1       GLY  33  72.063   2.622   0.967
  218    H    PHE  34           HN       PHE  34  69.042   2.490  -0.763
  219    HA   PHE  34           HA       PHE  34  68.721  -0.339  -0.049
  220   1HB   PHE  34          HB2       PHE  34  66.829   1.915   0.632
  221   2HB   PHE  34          HB1       PHE  34  66.357   0.219   0.667
  222    HD1  PHE  34           HD1      PHE  34  68.602  -1.122   1.865
  223    HD2  PHE  34           HD2      PHE  34  66.930   2.679   2.796
  224    HE1  PHE  34           HE1      PHE  34  69.461  -1.312   4.163
  225    HE2  PHE  34           HE2      PHE  34  67.786   2.497   5.096
  226    HZ   PHE  34           HZ       PHE  34  69.054   0.499   5.782
  227    H    GLU  35           HN       GLU  35  67.201  -1.492  -1.316
  228    HA   GLU  35           HA       GLU  35  65.863  -0.154  -3.491
  229   1HB   GLU  35          HB2       GLU  35  68.354  -1.730  -3.886
  230   2HB   GLU  35          HB1       GLU  35  67.062  -1.964  -5.056
  231   1HG   GLU  35          HG2       GLU  35  67.807  -0.176  -6.121
  232   2HG   GLU  35          HG1       GLU  35  67.262   0.794  -4.753
  233    H    GLY  36           HN       GLY  36  66.992  -3.527  -3.397
  234   1HA   GLY  36          HA2       GLY  36  65.770  -5.490  -3.444
  235   2HA   GLY  36          HA1       GLY  36  64.873  -4.744  -2.123
  236    H    SER  37           HN       SER  37  62.965  -5.828  -2.867
  237    HA   SER  37           HA       SER  37  61.897  -5.182  -5.468
  238   1HB   SER  37          HB2       SER  37  61.413  -7.218  -3.710
  239   2HB   SER  37          HB1       SER  37  60.045  -6.158  -3.374
  240    HG   SER  37           HG       SER  37  59.855  -7.804  -5.137
  241    H    ALA  38           HN       ALA  38  62.249  -3.672  -2.542
  242    HA   ALA  38           HA       ALA  38  60.367  -1.551  -3.226
  243   1HB   ALA  38          HB1       ALA  38  58.992  -2.227  -1.602
  244   2HB   ALA  38          HB2       ALA  38  60.236  -1.658  -0.487
  245   3HB   ALA  38          HB3       ALA  38  60.183  -3.357  -0.958
  246    H    CYS  39           HN       CYS  39  62.171  -2.222  -0.281
  247    HA   CYS  39           HA       CYS  39  64.316  -0.501  -0.996
  248   1HB   CYS  39          HB2       CYS  39  62.764   0.340   1.431
  249   2HB   CYS  39          HB1       CYS  39  64.042   1.207   0.599
  250    H    GLN  40           HN       GLN  40  64.260  -3.198  -0.329
  251    HA   GLN  40           HA       GLN  40  65.170  -3.346   2.450
  252   1HB   GLN  40          HB2       GLN  40  64.900  -5.712   2.297
  253   2HB   GLN  40          HB1       GLN  40  63.479  -4.971   1.575
  254   1HG   GLN  40          HG2       GLN  40  65.474  -5.418  -0.431
  255   2HG   GLN  40          HG1       GLN  40  65.166  -6.902   0.452
  256   1HE2  GLN  40          HE21      GLN  40  62.926  -4.278  -0.237
  257   2HE2  GLN  40          HE22      GLN  40  61.862  -5.205  -1.222
  258    H    ALA  41           HN       ALA  41  66.375  -3.742  -0.821
  259    HA   ALA  41           HA       ALA  41  68.951  -4.676   0.192
  260   1HB   ALA  41          HB1       ALA  41  69.241  -5.677  -1.788
  261   2HB   ALA  41          HB2       ALA  41  68.678  -4.273  -2.694
  262   3HB   ALA  41          HB3       ALA  41  67.512  -5.398  -1.999
  Start of MODEL    2
    1   1H    GLU   1          HT1       GLU   1  49.624  13.131  -5.295
    2   2H    GLU   1          HT2       GLU   1  48.035  13.265  -5.927
    3   3H    GLU   1          HT3       GLU   1  49.386  13.651  -6.911
    4    HA   GLU   1           HA       GLU   1  48.273  11.462  -7.287
    5   1HB   GLU   1          HB2       GLU   1  50.935  12.373  -7.408
    6   2HB   GLU   1          HB1       GLU   1  51.023  10.729  -6.790
    7   1HG   GLU   1          HG2       GLU   1  49.927   9.858  -8.700
    8   2HG   GLU   1          HG1       GLU   1  49.484  11.468  -9.260
    9    H    CYS   2           HN       CYS   2  47.794  11.940  -4.456
   10    HA   CYS   2           HA       CYS   2  48.787   9.452  -3.253
   11   1HB   CYS   2          HB2       CYS   2  47.256  11.248  -1.511
   12   2HB   CYS   2          HB1       CYS   2  48.822  10.496  -1.249
   13    H    ASP   3           HN       ASP   3  47.466   7.762  -3.104
   14    HA   ASP   3           HA       ASP   3  44.732   7.878  -2.430
   15   1HB   ASP   3          HB2       ASP   3  44.811   8.810  -4.830
   16   2HB   ASP   3          HB1       ASP   3  45.136   7.151  -5.317
   17    H    THR   4           HN       THR   4  44.682   5.554  -4.679
   18    HA   THR   4           HA       THR   4  45.311   3.470  -2.778
   19    HB   THR   4           HB       THR   4  44.676   2.320  -5.277
   20    HG1  THR   4           HG1      THR   4  42.732   3.433  -5.766
   21   1HG2  THR   4          HG21      THR   4  43.726   2.205  -2.662
   22   2HG2  THR   4          HG22      THR   4  43.246   1.195  -4.027
   23   3HG2  THR   4          HG23      THR   4  42.338   2.660  -3.651
   24    H    ILE   5           HN       ILE   5  47.503   3.469  -2.573
   25    HA   ILE   5           HA       ILE   5  49.007   2.241  -4.693
   26    HB   ILE   5           HB       ILE   5  50.765   3.881  -4.829
   27   1HG1  ILE   5          HG12      ILE   5  50.955   5.096  -2.880
   28   2HG1  ILE   5          HG11      ILE   5  50.103   6.256  -3.884
   29   1HG2  ILE   5          HG21      ILE   5  48.135   5.265  -5.301
   30   2HG2  ILE   5          HG22      ILE   5  48.811   4.021  -6.353
   31   3HG2  ILE   5          HG23      ILE   5  49.660   5.551  -6.137
   32   1HD1  ILE   5          HD11      ILE   5  47.987   5.493  -2.861
   33   2HD1  ILE   5          HD12      ILE   5  49.103   6.265  -1.740
   34   3HD1  ILE   5          HD13      ILE   5  48.931   4.511  -1.747
   35    H    ASN   6           HN       ASN   6  48.945   0.672  -3.075
   36    HA   ASN   6           HA       ASN   6  50.223   1.193  -0.558
   37   1HB   ASN   6          HB2       ASN   6  49.554  -1.044  -0.003
   38   2HB   ASN   6          HB1       ASN   6  48.225  -0.232  -0.824
   39   1HD2  ASN   6          HD21      ASN   6  47.776  -0.754  -2.986
   40   2HD2  ASN   6          HD22      ASN   6  48.244  -2.277  -3.652
   41    H    CYS   7           HN       CYS   7  52.166   0.586   0.102
   42    HA   CYS   7           HA       CYS   7  54.285   0.423  -1.642
   43   1HB   CYS   7          HB2       CYS   7  54.518  -0.879   1.043
   44   2HB   CYS   7          HB1       CYS   7  55.677   0.130   0.194
   45    H    GLU   8           HN       GLU   8  55.841  -1.234  -2.031
   46    HA   GLU   8           HA       GLU   8  54.611  -3.766  -2.728
   47   1HB   GLU   8          HB2       GLU   8  57.434  -2.762  -3.091
   48   2HB   GLU   8          HB1       GLU   8  56.805  -4.250  -3.764
   49   1HG   GLU   8          HG2       GLU   8  55.286  -1.825  -4.439
   50   2HG   GLU   8          HG1       GLU   8  56.921  -1.907  -5.095
   51    H    ARG   9           HN       ARG   9  54.827  -5.600  -1.545
   52    HA   ARG   9           HA       ARG   9  56.338  -5.417   0.914
   53   1HB   ARG   9          HB2       ARG   9  54.655  -7.678  -0.118
   54   2HB   ARG   9          HB1       ARG   9  55.398  -7.608   1.473
   55   1HG   ARG   9          HG2       ARG   9  54.059  -5.578   1.941
   56   2HG   ARG   9          HG1       ARG   9  53.249  -5.798   0.390
   57   1HD   ARG   9          HD2       ARG   9  53.151  -7.552   2.824
   58   2HD   ARG   9          HD1       ARG   9  51.815  -6.773   1.977
   59    HE   ARG   9           HE       ARG   9  52.794  -8.425   0.099
   60   1HH1  ARG   9          HH11      ARG   9  51.907  -8.947   3.435
   61   2HH1  ARG   9          HH12      ARG   9  51.466 -10.602   3.187
   62   1HH2  ARG   9          HH21      ARG   9  52.213 -10.601  -0.227
   63   2HH2  ARG   9          HH22      ARG   9  51.639 -11.542   1.110
   64    H    TYR  10           HN       TYR  10  58.152  -6.250   1.335
   65    HA   TYR  10           HA       TYR  10  59.714  -7.461  -0.725
   66   1HB   TYR  10          HB2       TYR  10  61.619  -7.042   0.724
   67   2HB   TYR  10          HB1       TYR  10  60.611  -5.622   0.601
   68    HD1  TYR  10           HD1      TYR  10  58.615  -5.774   2.507
   69    HD2  TYR  10           HD2      TYR  10  62.557  -7.326   2.768
   70    HE1  TYR  10           HE1      TYR  10  58.510  -5.576   4.914
   71    HE2  TYR  10           HE2      TYR  10  62.462  -7.135   5.215
   72    HH   TYR  10           HH       TYR  10  60.274  -5.331   6.843
   73    H    ASN  11           HN       ASN  11  59.176  -8.315   2.617
   74    HA   ASN  11           HA       ASN  11  58.887 -11.097   1.936
   75   1HB   ASN  11          HB2       ASN  11  60.740 -11.861   3.392
   76   2HB   ASN  11          HB1       ASN  11  61.303 -10.944   1.998
   77   1HD2  ASN  11          HD21      ASN  11  63.106 -10.002   2.676
   78   2HD2  ASN  11          HD22      ASN  11  63.247  -9.005   4.081
   79    H    GLY  12           HN       GLY  12  56.954  -9.571   3.067
   80   1HA   GLY  12          HA2       GLY  12  55.687 -10.746   4.960
   81   2HA   GLY  12          HA1       GLY  12  57.048 -10.231   5.943
   82    H    GLN  13           HN       GLN  13  57.455  -7.665   5.018
   83    HA   GLN  13           HA       GLN  13  54.982  -6.345   5.909
   84   1HB   GLN  13          HB2       GLN  13  57.823  -5.278   5.929
   85   2HB   GLN  13          HB1       GLN  13  56.413  -4.420   6.514
   86   1HG   GLN  13          HG2       GLN  13  57.792  -5.415   8.306
   87   2HG   GLN  13          HG1       GLN  13  56.113  -5.948   8.313
   88   1HE2  GLN  13          HE21      GLN  13  55.692  -8.062   8.251
   89   2HE2  GLN  13          HE22      GLN  13  56.871  -9.305   8.026
   90    H    VAL  14           HN       VAL  14  55.580  -3.762   4.985
   91    HA   VAL  14           HA       VAL  14  55.455  -4.225   2.079
   92    HB   VAL  14           HB       VAL  14  54.400  -1.640   2.844
   93   1HG1  VAL  14          HG11      VAL  14  52.821  -2.126   1.274
   94   2HG1  VAL  14          HG12      VAL  14  52.709  -3.822   1.745
   95   3HG1  VAL  14          HG13      VAL  14  54.079  -3.260   0.786
   96   1HG2  VAL  14          HG21      VAL  14  52.397  -2.375   4.027
   97   2HG2  VAL  14          HG22      VAL  14  53.848  -2.726   4.965
   98   3HG2  VAL  14          HG23      VAL  14  53.028  -4.021   4.094
   99    H    CYS  15           HN       CYS  15  57.218  -3.649   1.102
  100    HA   CYS  15           HA       CYS  15  58.879  -2.355   0.274
  101   1HB   CYS  15          HB2       CYS  15  57.182  -0.464   1.579
  102   2HB   CYS  15          HB1       CYS  15  58.856  -0.011   1.842
  103    H    GLY  16           HN       GLY  16  59.557  -4.202   2.186
  104   1HA   GLY  16          HA2       GLY  16  61.231  -4.723   3.684
  105   2HA   GLY  16          HA1       GLY  16  62.096  -3.397   2.967
  106    H    GLY  17           HN       GLY  17  59.027  -3.137   4.618
  107   1HA   GLY  17          HA2       GLY  17  58.369  -2.093   6.542
  108   2HA   GLY  17          HA1       GLY  17  59.949  -2.485   7.197
  109    HA   PRO  18           HA       PRO  18  59.219   2.188   5.902
  110   1HB   PRO  18          HB2       PRO  18  58.722   3.105   8.481
  111   2HB   PRO  18          HB1       PRO  18  57.504   2.875   7.223
  112   1HG   PRO  18          HG2       PRO  18  58.254   1.077   9.488
  113   2HG   PRO  18          HG1       PRO  18  56.653   1.417   8.805
  114   1HD   PRO  18          HD2       PRO  18  57.947  -0.865   8.258
  115   2HD   PRO  18          HD1       PRO  18  56.968  -0.042   7.025
  116    H    GLY  19           HN       GLY  19  60.750   0.396   8.484
  117   1HA   GLY  19          HA2       GLY  19  62.588   2.247   9.436
  118   2HA   GLY  19          HA1       GLY  19  62.879   0.516   9.345
  119    H    ARG  20           HN       ARG  20  62.489   0.604   6.386
  120    HA   ARG  20           HA       ARG  20  65.106   1.758   5.679
  121   1HB   ARG  20          HB2       ARG  20  63.770  -0.497   4.204
  122   2HB   ARG  20          HB1       ARG  20  65.453  -0.004   4.136
  123   1HG   ARG  20          HG2       ARG  20  64.043  -1.355   6.430
  124   2HG   ARG  20          HG1       ARG  20  65.264  -2.055   5.368
  125   1HD   ARG  20          HD2       ARG  20  66.094   0.416   6.710
  126   2HD   ARG  20          HD1       ARG  20  65.764  -0.932   7.798
  127    HE   ARG  20           HE       ARG  20  67.406  -1.670   5.575
  128   1HH1  ARG  20          HH11      ARG  20  67.427  -0.242   8.761
  129   2HH1  ARG  20          HH12      ARG  20  69.081  -0.648   9.070
  130   1HH2  ARG  20          HH21      ARG  20  69.584  -2.206   5.981
  131   2HH2  ARG  20          HH22      ARG  20  70.306  -1.762   7.492
  132    H    GLY  21           HN       GLY  21  61.919   0.910   4.340
  133   1HA   GLY  21          HA2       GLY  21  62.009   3.403   2.814
  134   2HA   GLY  21          HA1       GLY  21  61.686   1.912   1.951
  135    H    LEU  22           HN       LEU  22  60.108   4.441   2.562
  136    HA   LEU  22           HA       LEU  22  57.684   3.072   3.460
  137   1HB   LEU  22          HB2       LEU  22  58.424   4.319   5.336
  138   2HB   LEU  22          HB1       LEU  22  58.817   5.711   4.344
  139    HG   LEU  22           HG       LEU  22  56.344   5.841   3.830
  140   1HD1  LEU  22          HD11      LEU  22  56.073   3.469   4.874
  141   2HD1  LEU  22          HD12      LEU  22  54.810   4.680   5.100
  142   3HD1  LEU  22          HD13      LEU  22  55.967   4.361   6.391
  143   1HD2  LEU  22          HD21      LEU  22  57.705   6.497   6.386
  144   2HD2  LEU  22          HD22      LEU  22  55.965   6.761   6.283
  145   3HD2  LEU  22          HD23      LEU  22  57.048   7.568   5.150
  146    H    CYS  23           HN       CYS  23  55.980   3.368   2.137
  147    HA   CYS  23           HA       CYS  23  56.244   5.385   0.025
  148   1HB   CYS  23          HB2       CYS  23  55.010   4.032  -1.404
  149   2HB   CYS  23          HB1       CYS  23  55.888   2.840  -0.455
  150    H    PHE  24           HN       PHE  24  54.297   6.563  -0.679
  151    HA   PHE  24           HA       PHE  24  52.108   6.553   1.217
  152   1HB   PHE  24          HB2       PHE  24  52.583   9.218   1.428
  153   2HB   PHE  24          HB1       PHE  24  53.045   8.020   2.626
  154    HD1  PHE  24           HD1      PHE  24  54.954   8.892   3.561
  155    HD2  PHE  24           HD2      PHE  24  54.632   8.717  -0.679
  156    HE1  PHE  24           HE1      PHE  24  57.314   9.545   3.365
  157    HE2  PHE  24           HE2      PHE  24  56.996   9.371  -0.882
  158    HZ   PHE  24           HZ       PHE  24  58.339   9.784   1.143
  159    H    CYS  25           HN       CYS  25  52.892   9.531  -0.361
  160    HA   CYS  25           HA       CYS  25  50.432   9.465  -1.782
  161   1HB   CYS  25          HB2       CYS  25  51.224  11.513  -0.793
  162   2HB   CYS  25          HB1       CYS  25  52.701  11.453  -1.752
  163    H    GLY  26           HN       GLY  26  51.159   7.435  -2.967
  164   1HA   GLY  26          HA2       GLY  26  51.214   6.766  -5.212
  165   2HA   GLY  26          HA1       GLY  26  51.948   8.298  -5.626
  166    H    LYS  27           HN       LYS  27  53.872   7.325  -3.144
  167    HA   LYS  27           HA       LYS  27  55.337   5.337  -4.633
  168   1HB   LYS  27          HB2       LYS  27  56.050   8.167  -4.690
  169   2HB   LYS  27          HB1       LYS  27  57.386   7.093  -4.303
  170   1HG   LYS  27          HG2       LYS  27  57.640   6.792  -6.487
  171   2HG   LYS  27          HG1       LYS  27  56.137   5.867  -6.453
  172   1HD   LYS  27          HD2       LYS  27  55.801   7.469  -8.130
  173   2HD   LYS  27          HD1       LYS  27  54.958   8.123  -6.724
  174   1HE   LYS  27          HE2       LYS  27  57.808   8.867  -7.198
  175   2HE   LYS  27          HE1       LYS  27  56.548   9.636  -8.160
  176   1HZ   LYS  27          HZ1       LYS  27  55.473  10.026  -5.843
  177   2HZ   LYS  27          HZ2       LYS  27  56.706  11.051  -6.383
  178   3HZ   LYS  27          HZ3       LYS  27  57.053   9.822  -5.273
  179    H    CYS  28           HN       CYS  28  57.341   4.636  -3.709
  180    HA   CYS  28           HA       CYS  28  57.264   4.698  -0.784
  181   1HB   CYS  28          HB2       CYS  28  57.095   2.480  -2.078
  182   2HB   CYS  28          HB1       CYS  28  58.804   2.709  -2.429
  183    H    ARG  29           HN       ARG  29  58.464   6.368  -0.176
  184    HA   ARG  29           HA       ARG  29  60.967   6.983  -1.466
  185   1HB   ARG  29          HB2       ARG  29  59.073   8.470  -0.113
  186   2HB   ARG  29          HB1       ARG  29  60.386   8.363   1.050
  187   1HG   ARG  29          HG2       ARG  29  60.447   9.524  -1.717
  188   2HG   ARG  29          HG1       ARG  29  60.737  10.341  -0.181
  189   1HD   ARG  29          HD2       ARG  29  62.588   8.239  -0.288
  190   2HD   ARG  29          HD1       ARG  29  62.589   8.957  -1.898
  191    HE   ARG  29           HE       ARG  29  62.740  11.101  -0.243
  192   1HH1  ARG  29          HH11      ARG  29  64.595   8.160  -0.554
  193   2HH1  ARG  29          HH12      ARG  29  66.068   8.884   0.001
  194   1HH2  ARG  29          HH21      ARG  29  64.675  12.053   0.486
  195   2HH2  ARG  29          HH22      ARG  29  66.113  11.093   0.592
  196    H    CYS  30           HN       CYS  30  62.375   5.362  -1.050
  197    HA   CYS  30           HA       CYS  30  62.733   4.435   1.664
  198   1HB   CYS  30          HB2       CYS  30  64.678   3.506  -0.335
  199   2HB   CYS  30          HB1       CYS  30  63.747   2.600   0.840
  200    H    HIS  31           HN       HIS  31  64.682   4.466   2.796
  201    HA   HIS  31           HA       HIS  31  66.025   6.973   2.664
  202   1HB   HIS  31          HB2       HIS  31  67.166   4.718   4.255
  203   2HB   HIS  31          HB1       HIS  31  66.967   6.411   4.694
  204    HD1  HIS  31           HD1      HIS  31  63.812   6.352   3.965
  205    HD2  HIS  31           HD2      HIS  31  65.849   3.822   6.558
  206    HE1  HIS  31           HE1      HIS  31  62.060   5.444   5.530
  207    HE2  HIS  31           HE2      HIS  31  63.345   4.029   7.174
  208    HA   PRO  32           HA       PRO  32  69.406   6.228  -0.036
  209   1HB   PRO  32          HB2       PRO  32  71.209   7.384   2.000
  210   2HB   PRO  32          HB1       PRO  32  70.901   7.910   0.344
  211   1HG   PRO  32          HG2       PRO  32  69.942   9.286   2.425
  212   2HG   PRO  32          HG1       PRO  32  69.005   9.102   0.931
  213   1HD   PRO  32          HD2       PRO  32  68.697   7.688   3.546
  214   2HD   PRO  32          HD1       PRO  32  67.451   8.281   2.427
  215    H    GLY  33           HN       GLY  33  70.098   4.313  -0.380
  216   1HA   GLY  33          HA2       GLY  33  71.893   2.781  -0.129
  217   2HA   GLY  33          HA1       GLY  33  71.865   3.061   1.603
  218    H    PHE  34           HN       PHE  34  69.229   2.288  -0.660
  219    HA   PHE  34           HA       PHE  34  68.929  -0.336   0.574
  220   1HB   PHE  34          HB2       PHE  34  66.813   1.815   0.630
  221   2HB   PHE  34          HB1       PHE  34  66.441   0.108   0.850
  222    HD1  PHE  34           HD1      PHE  34  68.729  -0.768   2.487
  223    HD2  PHE  34           HD2      PHE  34  66.375   2.771   2.699
  224    HE1  PHE  34           HE1      PHE  34  69.250  -0.571   4.882
  225    HE2  PHE  34           HE2      PHE  34  66.892   2.973   5.097
  226    HZ   PHE  34           HZ       PHE  34  68.332   1.302   6.190
  227    H    GLU  35           HN       GLU  35  67.570  -1.783  -0.624
  228    HA   GLU  35           HA       GLU  35  66.546  -0.939  -3.183
  229   1HB   GLU  35          HB2       GLU  35  69.172  -2.164  -2.948
  230   2HB   GLU  35          HB1       GLU  35  68.100  -3.121  -3.962
  231   1HG   GLU  35          HG2       GLU  35  67.755  -1.319  -5.453
  232   2HG   GLU  35          HG1       GLU  35  68.516  -0.173  -4.350
  233    H    GLY  36           HN       GLY  36  67.695  -4.185  -2.294
  234   1HA   GLY  36          HA2       GLY  36  66.521  -6.173  -2.153
  235   2HA   GLY  36          HA1       GLY  36  65.462  -5.243  -1.095
  236    H    SER  37           HN       SER  37  63.665  -6.494  -1.837
  237    HA   SER  37           HA       SER  37  62.899  -6.330  -4.622
  238   1HB   SER  37          HB2       SER  37  61.970  -7.750  -2.227
  239   2HB   SER  37          HB1       SER  37  60.646  -7.132  -3.216
  240    HG   SER  37           HG       SER  37  61.019  -8.751  -4.484
  241    H    ALA  38           HN       ALA  38  62.888  -4.369  -1.971
  242    HA   ALA  38           HA       ALA  38  61.025  -2.476  -3.163
  243   1HB   ALA  38          HB1       ALA  38  60.608  -2.218  -0.443
  244   2HB   ALA  38          HB2       ALA  38  60.592  -3.960  -0.722
  245   3HB   ALA  38          HB3       ALA  38  59.487  -2.912  -1.614
  246    H    CYS  39           HN       CYS  39  62.505  -2.614   0.033
  247    HA   CYS  39           HA       CYS  39  64.668  -0.936  -0.720
  248   1HB   CYS  39          HB2       CYS  39  62.992   0.262   1.435
  249   2HB   CYS  39          HB1       CYS  39  64.166   1.026   0.384
  250    H    GLN  40           HN       GLN  40  64.596  -3.498   0.373
  251    HA   GLN  40           HA       GLN  40  65.199  -3.158   3.215
  252   1HB   GLN  40          HB2       GLN  40  65.032  -5.526   3.427
  253   2HB   GLN  40          HB1       GLN  40  63.683  -4.992   2.435
  254   1HG   GLN  40          HG2       GLN  40  65.933  -5.655   0.779
  255   2HG   GLN  40          HG1       GLN  40  65.549  -6.988   1.856
  256   1HE2  GLN  40          HE21      GLN  40  63.314  -4.633   0.514
  257   2HE2  GLN  40          HE22      GLN  40  62.421  -5.755  -0.437
  258    H    ALA  41           HN       ALA  41  66.800  -4.012   0.207
  259    HA   ALA  41           HA       ALA  41  69.278  -4.571   1.661
  260   1HB   ALA  41          HB1       ALA  41  68.158  -5.851  -0.444
  261   2HB   ALA  41          HB2       ALA  41  69.874  -5.908  -0.038
  262   3HB   ALA  41          HB3       ALA  41  69.295  -4.784  -1.268
  Start of MODEL    3
    1   1H    GLU   1          HT1       GLU   1  50.907   9.850  -6.170
    2   2H    GLU   1          HT2       GLU   1  50.730  11.030  -7.403
    3   3H    GLU   1          HT3       GLU   1  49.375  10.106  -6.894
    4    HA   GLU   1           HA       GLU   1  50.872  11.852  -5.077
    5   1HB   GLU   1          HB2       GLU   1  49.006  12.509  -7.251
    6   2HB   GLU   1          HB1       GLU   1  48.550  13.185  -5.693
    7   1HG   GLU   1          HG2       GLU   1  50.825  14.160  -5.515
    8   2HG   GLU   1          HG1       GLU   1  51.148  13.590  -7.151
    9    H    CYS   2           HN       CYS   2  50.392   9.869  -3.760
   10    HA   CYS   2           HA       CYS   2  49.125   8.639  -2.301
   11   1HB   CYS   2          HB2       CYS   2  47.405  10.619  -1.239
   12   2HB   CYS   2          HB1       CYS   2  48.931  10.048  -0.578
   13    H    ASP   3           HN       ASP   3  46.523   8.946  -1.336
   14    HA   ASP   3           HA       ASP   3  44.305   8.645  -1.845
   15   1HB   ASP   3          HB2       ASP   3  44.717  10.417  -3.609
   16   2HB   ASP   3          HB1       ASP   3  44.945   9.099  -4.749
   17    H    THR   4           HN       THR   4  44.309   7.465  -4.908
   18    HA   THR   4           HA       THR   4  44.058   4.751  -3.969
   19    HB   THR   4           HB       THR   4  43.585   4.362  -6.487
   20    HG1  THR   4           HG1      THR   4  44.428   6.285  -7.279
   21   1HG2  THR   4          HG21      THR   4  41.454   6.126  -5.923
   22   2HG2  THR   4          HG22      THR   4  41.930   5.353  -4.410
   23   3HG2  THR   4          HG23      THR   4  41.489   4.367  -5.805
   24    H    ILE   5           HN       ILE   5  46.125   4.155  -3.400
   25    HA   ILE   5           HA       ILE   5  47.827   3.300  -5.522
   26    HB   ILE   5           HB       ILE   5  49.787   4.445  -4.886
   27   1HG1  ILE   5          HG12      ILE   5  49.843   4.335  -2.540
   28   2HG1  ILE   5          HG11      ILE   5  49.739   6.052  -2.883
   29   1HG2  ILE   5          HG21      ILE   5  47.583   6.485  -4.652
   30   2HG2  ILE   5          HG22      ILE   5  48.251   5.855  -6.159
   31   3HG2  ILE   5          HG23      ILE   5  49.263   6.811  -5.075
   32   1HD1  ILE   5          HD11      ILE   5  47.172   5.620  -2.610
   33   2HD1  ILE   5          HD12      ILE   5  48.215   5.883  -1.216
   34   3HD1  ILE   5          HD13      ILE   5  47.739   4.246  -1.662
   35    H    ASN   6           HN       ASN   6  49.792   2.215  -4.220
   36    HA   ASN   6           HA       ASN   6  48.970   1.294  -1.638
   37   1HB   ASN   6          HB2       ASN   6  48.283  -0.823  -2.140
   38   2HB   ASN   6          HB1       ASN   6  47.696   0.066  -3.541
   39   1HD2  ASN   6          HD21      ASN   6  49.895   0.380  -5.042
   40   2HD2  ASN   6          HD22      ASN   6  50.500  -1.149  -5.568
   41    H    CYS   7           HN       CYS   7  50.599   0.644  -0.408
   42    HA   CYS   7           HA       CYS   7  53.243   1.119  -1.181
   43   1HB   CYS   7          HB2       CYS   7  52.447  -0.663   1.114
   44   2HB   CYS   7          HB1       CYS   7  53.877   0.351   0.974
   45    H    GLU   8           HN       GLU   8  54.914  -0.163  -1.800
   46    HA   GLU   8           HA       GLU   8  54.235  -2.731  -2.955
   47   1HB   GLU   8          HB2       GLU   8  56.993  -1.534  -2.831
   48   2HB   GLU   8          HB1       GLU   8  56.346  -2.654  -4.018
   49   1HG   GLU   8          HG2       GLU   8  54.687  -0.533  -4.342
   50   2HG   GLU   8          HG1       GLU   8  56.193   0.269  -3.899
   51    H    ARG   9           HN       ARG   9  54.567  -4.653  -1.987
   52    HA   ARG   9           HA       ARG   9  56.118  -4.632   0.500
   53   1HB   ARG   9          HB2       ARG   9  54.147  -6.720  -0.403
   54   2HB   ARG   9          HB1       ARG   9  54.953  -6.636   1.160
   55   1HG   ARG   9          HG2       ARG   9  53.354  -5.342   1.959
   56   2HG   ARG   9          HG1       ARG   9  53.585  -4.173   0.658
   57   1HD   ARG   9          HD2       ARG   9  51.799  -6.600   0.664
   58   2HD   ARG   9          HD1       ARG   9  51.309  -4.909   0.603
   59    HE   ARG   9           HE       ARG   9  52.975  -5.690  -1.598
   60   1HH1  ARG   9          HH11      ARG   9  49.701  -5.598  -0.396
   61   2HH1  ARG   9          HH12      ARG   9  48.988  -5.640  -1.973
   62   1HH2  ARG   9          HH21      ARG   9  52.040  -5.747  -3.674
   63   2HH2  ARG   9          HH22      ARG   9  50.315  -5.726  -3.834
   64    H    TYR  10           HN       TYR  10  57.858  -5.743   0.761
   65    HA   TYR  10           HA       TYR  10  58.936  -7.244  -1.478
   66   1HB   TYR  10          HB2       TYR  10  61.049  -6.963  -0.461
   67   2HB   TYR  10          HB1       TYR  10  60.197  -5.478  -0.107
   68    HD1  TYR  10           HD1      TYR  10  58.688  -5.847   2.185
   69    HD2  TYR  10           HD2      TYR  10  62.400  -7.654   1.198
   70    HE1  TYR  10           HE1      TYR  10  59.209  -6.060   4.553
   71    HE2  TYR  10           HE2      TYR  10  62.927  -7.878   3.584
   72    HH   TYR  10           HH       TYR  10  61.565  -6.249   5.934
   73    H    ASN  11           HN       ASN  11  60.616  -8.895   0.406
   74    HA   ASN  11           HA       ASN  11  58.644 -11.006   0.728
   75   1HB   ASN  11          HB2       ASN  11  60.687 -12.415   1.218
   76   2HB   ASN  11          HB1       ASN  11  60.620 -11.701  -0.390
   77   1HD2  ASN  11          HD21      ASN  11  62.254 -11.784   2.639
   78   2HD2  ASN  11          HD22      ASN  11  63.573 -10.757   2.200
   79    H    GLY  12           HN       GLY  12  57.574  -9.955   2.608
   80   1HA   GLY  12          HA2       GLY  12  57.643 -11.077   4.925
   81   2HA   GLY  12          HA1       GLY  12  59.159 -10.215   5.080
   82    H    GLN  13           HN       GLN  13  58.020  -7.801   3.685
   83    HA   GLN  13           HA       GLN  13  55.928  -6.918   5.495
   84   1HB   GLN  13          HB2       GLN  13  58.389  -5.214   5.358
   85   2HB   GLN  13          HB1       GLN  13  57.121  -5.208   6.570
   86   1HG   GLN  13          HG2       GLN  13  58.797  -7.643   6.386
   87   2HG   GLN  13          HG1       GLN  13  59.545  -6.185   7.020
   88   1HE2  GLN  13          HE21      GLN  13  56.186  -7.187   7.366
   89   2HE2  GLN  13          HE22      GLN  13  56.227  -7.357   9.083
   90    H    VAL  14           HN       VAL  14  56.237  -4.180   5.052
   91    HA   VAL  14           HA       VAL  14  55.695  -4.027   2.172
   92    HB   VAL  14           HB       VAL  14  54.426  -1.981   2.651
   93   1HG1  VAL  14          HG11      VAL  14  52.798  -3.255   4.414
   94   2HG1  VAL  14          HG12      VAL  14  53.740  -4.601   3.774
   95   3HG1  VAL  14          HG13      VAL  14  52.833  -3.560   2.677
   96   1HG2  VAL  14          HG21      VAL  14  55.070  -0.856   4.482
   97   2HG2  VAL  14          HG22      VAL  14  55.661  -2.308   5.287
   98   3HG2  VAL  14          HG23      VAL  14  53.944  -1.911   5.335
   99    H    CYS  15           HN       CYS  15  57.450  -3.384   1.110
  100    HA   CYS  15           HA       CYS  15  58.962  -1.835   0.328
  101   1HB   CYS  15          HB2       CYS  15  57.578  -0.274   2.051
  102   2HB   CYS  15          HB1       CYS  15  59.160  -0.284   2.816
  103    H    GLY  16           HN       GLY  16  59.742  -4.238   1.534
  104   1HA   GLY  16          HA2       GLY  16  61.631  -5.229   2.415
  105   2HA   GLY  16          HA1       GLY  16  62.455  -3.744   2.061
  106    H    GLY  17           HN       GLY  17  59.665  -3.922   4.127
  107   1HA   GLY  17          HA2       GLY  17  59.380  -3.777   6.400
  108   2HA   GLY  17          HA1       GLY  17  61.084  -4.123   6.607
  109    HA   PRO  18           HA       PRO  18  59.670   0.628   6.834
  110   1HB   PRO  18          HB2       PRO  18  59.400  -0.020   9.732
  111   2HB   PRO  18          HB1       PRO  18  58.484   1.124   8.746
  112   1HG   PRO  18          HG2       PRO  18  57.415  -1.206   9.450
  113   2HG   PRO  18          HG1       PRO  18  57.143  -0.535   7.830
  114   1HD   PRO  18          HD2       PRO  18  58.937  -2.762   8.685
  115   2HD   PRO  18          HD1       PRO  18  57.998  -2.577   7.190
  116    H    GLY  19           HN       GLY  19  61.511  -1.523   8.949
  117   1HA   GLY  19          HA2       GLY  19  63.255   0.274  10.125
  118   2HA   GLY  19          HA1       GLY  19  63.668  -1.387   9.728
  119    H    ARG  20           HN       ARG  20  63.129  -0.703   6.807
  120    HA   ARG  20           HA       ARG  20  65.734   0.578   6.331
  121   1HB   ARG  20          HB2       ARG  20  64.204  -1.471   4.733
  122   2HB   ARG  20          HB1       ARG  20  65.605  -0.616   4.100
  123   1HG   ARG  20          HG2       ARG  20  66.960  -1.516   5.943
  124   2HG   ARG  20          HG1       ARG  20  65.553  -2.412   6.518
  125   1HD   ARG  20          HD2       ARG  20  66.289  -2.773   3.680
  126   2HD   ARG  20          HD1       ARG  20  67.395  -3.453   4.871
  127    HE   ARG  20           HE       ARG  20  64.747  -4.378   4.231
  128   1HH1  ARG  20          HH11      ARG  20  67.261  -4.329   6.653
  129   2HH1  ARG  20          HH12      ARG  20  66.697  -5.762   7.445
  130   1HH2  ARG  20          HH21      ARG  20  64.003  -6.260   5.276
  131   2HH2  ARG  20          HH22      ARG  20  64.849  -6.857   6.665
  132    H    GLY  21           HN       GLY  21  62.349   0.511   5.325
  133   1HA   GLY  21          HA2       GLY  21  62.436   3.250   4.555
  134   2HA   GLY  21          HA1       GLY  21  62.440   2.212   3.143
  135    H    LEU  22           HN       LEU  22  60.472   4.143   4.408
  136    HA   LEU  22           HA       LEU  22  58.176   2.461   4.963
  137   1HB   LEU  22          HB2       LEU  22  58.781   5.359   5.100
  138   2HB   LEU  22          HB1       LEU  22  57.116   4.806   5.100
  139    HG   LEU  22           HG       LEU  22  57.592   4.977   7.308
  140   1HD1  LEU  22          HD11      LEU  22  56.772   2.697   6.664
  141   2HD1  LEU  22          HD12      LEU  22  57.518   2.833   8.256
  142   3HD1  LEU  22          HD13      LEU  22  58.428   2.143   6.913
  143   1HD2  LEU  22          HD21      LEU  22  59.831   5.521   7.460
  144   2HD2  LEU  22          HD22      LEU  22  60.331   4.052   6.620
  145   3HD2  LEU  22          HD23      LEU  22  59.753   3.964   8.285
  146    H    CYS  23           HN       CYS  23  56.071   3.515   4.001
  147    HA   CYS  23           HA       CYS  23  56.415   3.893   1.110
  148   1HB   CYS  23          HB2       CYS  23  54.448   2.616   0.664
  149   2HB   CYS  23          HB1       CYS  23  55.418   1.649   1.768
  150    H    PHE  24           HN       PHE  24  55.097   5.592   0.166
  151    HA   PHE  24           HA       PHE  24  53.348   6.928   2.120
  152   1HB   PHE  24          HB2       PHE  24  55.880   8.005   1.050
  153   2HB   PHE  24          HB1       PHE  24  54.524   9.125   1.122
  154    HD1  PHE  24           HD1      PHE  24  57.292   8.164   2.801
  155    HD2  PHE  24           HD2      PHE  24  53.133   8.742   3.466
  156    HE1  PHE  24           HE1      PHE  24  57.733   8.461   5.211
  157    HE2  PHE  24           HE2      PHE  24  53.560   9.044   5.880
  158    HZ   PHE  24           HZ       PHE  24  55.860   8.910   6.750
  159    H    CYS  25           HN       CYS  25  52.542   9.015   1.162
  160    HA   CYS  25           HA       CYS  25  50.538   8.676  -0.572
  161   1HB   CYS  25          HB2       CYS  25  50.490  10.737   0.386
  162   2HB   CYS  25          HB1       CYS  25  52.243  10.916   0.322
  163    H    GLY  26           HN       GLY  26  50.743   7.527  -2.439
  164   1HA   GLY  26          HA2       GLY  26  51.030   7.568  -4.775
  165   2HA   GLY  26          HA1       GLY  26  52.280   8.783  -4.578
  166    H    LYS  27           HN       LYS  27  53.980   7.493  -2.749
  167    HA   LYS  27           HA       LYS  27  54.613   4.884  -3.857
  168   1HB   LYS  27          HB2       LYS  27  56.366   7.283  -4.256
  169   2HB   LYS  27          HB1       LYS  27  56.949   5.633  -4.404
  170   1HG   LYS  27          HG2       LYS  27  55.442   5.219  -6.249
  171   2HG   LYS  27          HG1       LYS  27  54.723   6.820  -6.055
  172   1HD   LYS  27          HD2       LYS  27  57.663   6.517  -6.546
  173   2HD   LYS  27          HD1       LYS  27  56.518   6.457  -7.887
  174   1HE   LYS  27          HE2       LYS  27  57.020   8.721  -5.969
  175   2HE   LYS  27          HE1       LYS  27  57.247   8.707  -7.718
  176   1HZ   LYS  27          HZ1       LYS  27  55.261   9.839  -7.418
  177   2HZ   LYS  27          HZ2       LYS  27  54.724   8.808  -6.188
  178   3HZ   LYS  27          HZ3       LYS  27  54.743   8.272  -7.792
  179    H    CYS  28           HN       CYS  28  56.942   4.268  -3.068
  180    HA   CYS  28           HA       CYS  28  56.842   4.400  -0.189
  181   1HB   CYS  28          HB2       CYS  28  57.813   2.559  -2.143
  182   2HB   CYS  28          HB1       CYS  28  59.157   3.006  -1.100
  183    H    ARG  29           HN       ARG  29  58.795   4.828   1.087
  184    HA   ARG  29           HA       ARG  29  60.720   6.628  -0.185
  185   1HB   ARG  29          HB2       ARG  29  58.607   7.662   1.181
  186   2HB   ARG  29          HB1       ARG  29  59.785   7.500   2.475
  187   1HG   ARG  29          HG2       ARG  29  60.820   9.336   1.807
  188   2HG   ARG  29          HG1       ARG  29  61.063   8.647   0.202
  189   1HD   ARG  29          HD2       ARG  29  58.348   9.636   0.778
  190   2HD   ARG  29          HD1       ARG  29  59.609  10.865   0.680
  191    HE   ARG  29           HE       ARG  29  59.625   8.989  -1.503
  192   1HH1  ARG  29          HH11      ARG  29  58.310  11.997  -0.316
  193   2HH1  ARG  29          HH12      ARG  29  57.943  12.603  -1.896
  194   1HH2  ARG  29          HH21      ARG  29  59.142   9.786  -3.580
  195   2HH2  ARG  29          HH22      ARG  29  58.415  11.349  -3.748
  196    H    CYS  30           HN       CYS  30  62.402   5.194   0.087
  197    HA   CYS  30           HA       CYS  30  62.943   4.232   2.804
  198   1HB   CYS  30          HB2       CYS  30  64.762   2.877   1.578
  199   2HB   CYS  30          HB1       CYS  30  63.088   2.403   1.349
  200    H    HIS  31           HN       HIS  31  65.200   4.250   3.550
  201    HA   HIS  31           HA       HIS  31  66.271   6.860   3.484
  202   1HB   HIS  31          HB2       HIS  31  67.858   4.443   4.321
  203   2HB   HIS  31          HB1       HIS  31  67.918   6.077   4.972
  204    HD1  HIS  31           HD1      HIS  31  64.724   6.249   5.301
  205    HD2  HIS  31           HD2      HIS  31  67.236   3.285   6.777
  206    HE1  HIS  31           HE1      HIS  31  63.492   5.227   7.240
  207    HE2  HIS  31           HE2      HIS  31  64.996   3.382   8.066
  208    HA   PRO  32           HA       PRO  32  68.944   6.935  -0.006
  209   1HB   PRO  32          HB2       PRO  32  71.138   7.953   1.674
  210   2HB   PRO  32          HB1       PRO  32  70.325   8.719   0.307
  211   1HG   PRO  32          HG2       PRO  32  69.924   9.568   2.818
  212   2HG   PRO  32          HG1       PRO  32  68.618   9.561   1.618
  213   1HD   PRO  32          HD2       PRO  32  69.146   7.644   3.854
  214   2HD   PRO  32          HD1       PRO  32  67.601   8.303   3.273
  215    H    GLY  33           HN       GLY  33  69.552   5.094  -0.754
  216   1HA   GLY  33          HA2       GLY  33  71.479   3.760  -1.234
  217   2HA   GLY  33          HA1       GLY  33  71.887   3.795   0.472
  218    H    PHE  34           HN       PHE  34  68.651   3.213  -0.790
  219    HA   PHE  34           HA       PHE  34  68.897   0.405   0.061
  220   1HB   PHE  34          HB2       PHE  34  66.828   2.435   0.760
  221   2HB   PHE  34          HB1       PHE  34  66.326   0.760   0.576
  222    HD1  PHE  34           HD1      PHE  34  67.579   3.162   2.813
  223    HD2  PHE  34           HD2      PHE  34  67.763  -0.987   1.884
  224    HE1  PHE  34           HE1      PHE  34  68.335   2.686   5.107
  225    HE2  PHE  34           HE2      PHE  34  68.519  -1.471   4.176
  226    HZ   PHE  34           HZ       PHE  34  68.805   0.367   5.790
  227    H    GLU  35           HN       GLU  35  67.628  -1.108  -1.036
  228    HA   GLU  35           HA       GLU  35  66.027  -0.314  -3.294
  229   1HB   GLU  35          HB2       GLU  35  68.550  -1.931  -3.751
  230   2HB   GLU  35          HB1       GLU  35  67.359  -1.507  -4.971
  231   1HG   GLU  35          HG2       GLU  35  67.893   0.909  -4.467
  232   2HG   GLU  35          HG1       GLU  35  69.263   0.312  -3.533
  233    H    GLY  36           HN       GLY  36  66.327  -2.999  -4.569
  234   1HA   GLY  36          HA2       GLY  36  65.986  -5.308  -3.824
  235   2HA   GLY  36          HA1       GLY  36  65.158  -4.649  -2.412
  236    H    SER  37           HN       SER  37  63.406  -6.141  -3.041
  237    HA   SER  37           HA       SER  37  61.961  -5.787  -5.451
  238   1HB   SER  37          HB2       SER  37  60.879  -6.701  -2.767
  239   2HB   SER  37          HB1       SER  37  60.148  -6.989  -4.345
  240    HG   SER  37           HG       SER  37  62.745  -7.897  -3.683
  241    H    ALA  38           HN       ALA  38  62.329  -4.054  -2.579
  242    HA   ALA  38           HA       ALA  38  60.472  -1.979  -3.451
  243   1HB   ALA  38          HB1       ALA  38  59.078  -2.543  -1.795
  244   2HB   ALA  38          HB2       ALA  38  60.305  -1.864  -0.725
  245   3HB   ALA  38          HB3       ALA  38  60.271  -3.599  -1.038
  246    H    CYS  39           HN       CYS  39  62.235  -2.430  -0.447
  247    HA   CYS  39           HA       CYS  39  64.415  -0.824  -1.268
  248   1HB   CYS  39          HB2       CYS  39  62.294   0.313   0.495
  249   2HB   CYS  39          HB1       CYS  39  63.968   0.809   0.719
  250    H    GLN  40           HN       GLN  40  64.233  -3.428  -0.313
  251    HA   GLN  40           HA       GLN  40  64.956  -3.469   2.487
  252   1HB   GLN  40          HB2       GLN  40  65.043  -5.876   2.230
  253   2HB   GLN  40          HB1       GLN  40  63.577  -5.256   1.479
  254   1HG   GLN  40          HG2       GLN  40  65.533  -5.268  -0.528
  255   2HG   GLN  40          HG1       GLN  40  65.694  -6.798   0.323
  256   1HE2  GLN  40          HE21      GLN  40  63.013  -4.706  -0.670
  257   2HE2  GLN  40          HE22      GLN  40  62.108  -5.952  -1.440
  258    H    ALA  41           HN       ALA  41  66.567  -3.664  -0.614
  259    HA   ALA  41           HA       ALA  41  69.075  -4.523   0.536
  260   1HB   ALA  41          HB1       ALA  41  68.587  -3.558  -2.273
  261   2HB   ALA  41          HB2       ALA  41  68.247  -5.203  -1.736
  262   3HB   ALA  41          HB3       ALA  41  69.898  -4.585  -1.689
  Start of MODEL    4
    1   1H    GLU   1          HT1       GLU   1  47.056  10.923   2.125
    2   2H    GLU   1          HT2       GLU   1  48.062   9.611   1.665
    3   3H    GLU   1          HT3       GLU   1  46.529   9.312   2.376
    4    HA   GLU   1           HA       GLU   1  46.269   8.918   0.132
    5   1HB   GLU   1          HB2       GLU   1  45.188  11.426   1.288
    6   2HB   GLU   1          HB1       GLU   1  44.971  11.212  -0.444
    7   1HG   GLU   1          HG2       GLU   1  43.029  10.379   0.622
    8   2HG   GLU   1          HG1       GLU   1  43.945   8.989   0.042
    9    H    CYS   2           HN       CYS   2  46.720   9.332  -2.027
   10    HA   CYS   2           HA       CYS   2  47.918  11.657  -3.029
   11   1HB   CYS   2          HB2       CYS   2  49.837  10.996  -1.653
   12   2HB   CYS   2          HB1       CYS   2  49.879   9.426  -2.446
   13    H    ASP   3           HN       ASP   3  47.584   8.156  -3.306
   14    HA   ASP   3           HA       ASP   3  46.780   8.463  -6.081
   15   1HB   ASP   3          HB2       ASP   3  48.830   6.340  -5.625
   16   2HB   ASP   3          HB1       ASP   3  48.458   7.238  -7.092
   17    H    THR   4           HN       THR   4  45.952   6.424  -6.997
   18    HA   THR   4           HA       THR   4  44.517   4.892  -4.978
   19    HB   THR   4           HB       THR   4  43.248   3.970  -6.806
   20    HG1  THR   4           HG1      THR   4  44.233   3.611  -8.602
   21   1HG2  THR   4          HG21      THR   4  42.158   5.798  -7.608
   22   2HG2  THR   4          HG22      THR   4  43.645   6.697  -7.904
   23   3HG2  THR   4          HG23      THR   4  43.029   6.527  -6.260
   24    H    ILE   5           HN       ILE   5  46.811   4.320  -4.334
   25    HA   ILE   5           HA       ILE   5  47.445   1.683  -5.250
   26    HB   ILE   5           HB       ILE   5  49.192   4.101  -5.682
   27   1HG1  ILE   5          HG12      ILE   5  47.878   2.135  -7.322
   28   2HG1  ILE   5          HG11      ILE   5  48.702   3.610  -7.808
   29   1HG2  ILE   5          HG21      ILE   5  51.175   2.729  -5.882
   30   2HG2  ILE   5          HG22      ILE   5  50.262   1.310  -5.369
   31   3HG2  ILE   5          HG23      ILE   5  50.512   2.649  -4.252
   32   1HD1  ILE   5          HD11      ILE   5  50.794   2.434  -7.966
   33   2HD1  ILE   5          HD12      ILE   5  49.569   1.579  -8.902
   34   3HD1  ILE   5          HD13      ILE   5  50.058   0.968  -7.321
   35    H    ASN   6           HN       ASN   6  49.266   0.910  -3.715
   36    HA   ASN   6           HA       ASN   6  49.437   2.443  -1.288
   37   1HB   ASN   6          HB2       ASN   6  47.977   1.316  -0.020
   38   2HB   ASN   6          HB1       ASN   6  47.268   0.872  -1.567
   39   1HD2  ASN   6          HD21      ASN   6  48.904  -1.016  -2.522
   40   2HD2  ASN   6          HD22      ASN   6  48.936  -2.393  -1.480
   41    H    CYS   7           HN       CYS   7  50.713   1.420   0.378
   42    HA   CYS   7           HA       CYS   7  53.210   1.038   0.074
   43   1HB   CYS   7          HB2       CYS   7  51.819  -1.123   1.628
   44   2HB   CYS   7          HB1       CYS   7  53.384  -0.390   1.950
   45    H    GLU   8           HN       GLU   8  54.767  -0.171  -0.739
   46    HA   GLU   8           HA       GLU   8  54.030  -2.426  -2.457
   47   1HB   GLU   8          HB2       GLU   8  56.745  -1.133  -2.197
   48   2HB   GLU   8          HB1       GLU   8  56.163  -2.144  -3.507
   49   1HG   GLU   8          HG2       GLU   8  54.512  -0.361  -4.060
   50   2HG   GLU   8          HG1       GLU   8  55.291   0.658  -2.850
   51    H    ARG   9           HN       ARG   9  54.478  -4.491  -1.855
   52    HA   ARG   9           HA       ARG   9  56.119  -4.813   0.549
   53   1HB   ARG   9          HB2       ARG   9  54.224  -6.819  -0.642
   54   2HB   ARG   9          HB1       ARG   9  55.092  -6.965   0.884
   55   1HG   ARG   9          HG2       ARG   9  53.828  -5.218   1.864
   56   2HG   ARG   9          HG1       ARG   9  53.108  -4.781   0.314
   57   1HD   ARG   9          HD2       ARG   9  52.704  -7.408   1.740
   58   2HD   ARG   9          HD1       ARG   9  51.570  -6.060   1.764
   59    HE   ARG   9           HE       ARG   9  50.964  -6.542  -0.420
   60   1HH1  ARG   9          HH11      ARG   9  53.625  -8.579   0.574
   61   2HH1  ARG   9          HH12      ARG   9  53.452  -9.663  -0.764
   62   1HH2  ARG   9          HH21      ARG   9  50.744  -7.969  -2.176
   63   2HH2  ARG   9          HH22      ARG   9  51.822  -9.317  -2.324
   64    H    TYR  10           HN       TYR  10  57.923  -5.801   0.558
   65    HA   TYR  10           HA       TYR  10  59.024  -6.802  -1.920
   66   1HB   TYR  10          HB2       TYR  10  61.162  -6.470  -0.959
   67   2HB   TYR  10          HB1       TYR  10  60.192  -5.117  -0.410
   68    HD1  TYR  10           HD1      TYR  10  58.726  -6.071   1.817
   69    HD2  TYR  10           HD2      TYR  10  62.681  -7.058   0.639
   70    HE1  TYR  10           HE1      TYR  10  59.258  -6.588   4.127
   71    HE2  TYR  10           HE2      TYR  10  63.242  -7.578   2.967
   72    HH   TYR  10           HH       TYR  10  61.858  -6.628   5.464
   73    H    ASN  11           HN       ASN  11  58.166  -7.880   1.198
   74    HA   ASN  11           HA       ASN  11  58.247 -10.639   0.378
   75   1HB   ASN  11          HB2       ASN  11  60.320  -9.480   2.128
   76   2HB   ASN  11          HB1       ASN  11  59.590 -10.966   2.728
   77   1HD2  ASN  11          HD21      ASN  11  61.977 -11.489   2.363
   78   2HD2  ASN  11          HD22      ASN  11  62.364 -12.199   0.836
   79    H    GLY  12           HN       GLY  12  58.467  -9.281   3.645
   80   1HA   GLY  12          HA2       GLY  12  55.606  -9.693   4.057
   81   2HA   GLY  12          HA1       GLY  12  56.694 -10.679   5.020
   82    H    GLN  13           HN       GLN  13  57.544  -7.425   4.131
   83    HA   GLN  13           HA       GLN  13  56.798  -6.448   6.801
   84   1HB   GLN  13          HB2       GLN  13  59.482  -5.811   5.574
   85   2HB   GLN  13          HB1       GLN  13  58.931  -5.474   7.212
   86   1HG   GLN  13          HG2       GLN  13  59.146  -8.291   6.229
   87   2HG   GLN  13          HG1       GLN  13  60.557  -7.425   6.831
   88   1HE2  GLN  13          HE21      GLN  13  58.173  -9.489   7.683
   89   2HE2  GLN  13          HE22      GLN  13  58.114  -9.191   9.383
   90    H    VAL  14           HN       VAL  14  56.184  -6.104   3.746
   91    HA   VAL  14           HA       VAL  14  55.716  -4.440   2.272
   92    HB   VAL  14           HB       VAL  14  53.786  -4.108   3.550
   93   1HG1  VAL  14          HG11      VAL  14  53.718  -2.893   5.682
   94   2HG1  VAL  14          HG12      VAL  14  55.471  -2.722   5.630
   95   3HG1  VAL  14          HG13      VAL  14  54.745  -4.323   5.766
   96   1HG2  VAL  14          HG21      VAL  14  55.050  -1.378   3.560
   97   2HG2  VAL  14          HG22      VAL  14  53.334  -1.770   3.448
   98   3HG2  VAL  14          HG23      VAL  14  54.419  -2.170   2.115
   99    H    CYS  15           HN       CYS  15  57.344  -3.507   1.270
  100    HA   CYS  15           HA       CYS  15  58.705  -1.796   0.634
  101   1HB   CYS  15          HB2       CYS  15  57.916  -0.681   3.302
  102   2HB   CYS  15          HB1       CYS  15  59.069   0.130   2.260
  103    H    GLY  16           HN       GLY  16  59.743  -4.177   1.724
  104   1HA   GLY  16          HA2       GLY  16  61.630  -5.051   2.709
  105   2HA   GLY  16          HA1       GLY  16  62.404  -3.698   1.929
  106    H    GLY  17           HN       GLY  17  60.242  -4.067   4.741
  107   1HA   GLY  17          HA2       GLY  17  60.619  -3.629   6.977
  108   2HA   GLY  17          HA1       GLY  17  62.307  -3.340   6.603
  109    HA   PRO  18           HA       PRO  18  59.797   0.719   7.031
  110   1HB   PRO  18          HB2       PRO  18  59.519   1.116   9.669
  111   2HB   PRO  18          HB1       PRO  18  58.347   0.169   8.744
  112   1HG   PRO  18          HG2       PRO  18  60.587  -0.772  10.492
  113   2HG   PRO  18          HG1       PRO  18  58.928  -1.388  10.370
  114   1HD   PRO  18          HD2       PRO  18  61.082  -2.545   9.132
  115   2HD   PRO  18          HD1       PRO  18  59.416  -2.677   8.542
  116    H    GLY  19           HN       GLY  19  62.332  -0.521   9.175
  117   1HA   GLY  19          HA2       GLY  19  63.516   1.879   9.932
  118   2HA   GLY  19          HA1       GLY  19  64.365   0.349   9.783
  119    H    ARG  20           HN       ARG  20  63.533   0.351   6.839
  120    HA   ARG  20           HA       ARG  20  65.788   1.990   5.937
  121   1HB   ARG  20          HB2       ARG  20  64.314  -0.074   4.313
  122   2HB   ARG  20          HB1       ARG  20  65.930   0.563   4.045
  123   1HG   ARG  20          HG2       ARG  20  66.334  -0.484   6.446
  124   2HG   ARG  20          HG1       ARG  20  64.996  -1.515   5.938
  125   1HD   ARG  20          HD2       ARG  20  66.784  -1.314   3.756
  126   2HD   ARG  20          HD1       ARG  20  67.748  -1.645   5.195
  127    HE   ARG  20           HE       ARG  20  66.031  -3.455   3.847
  128   1HH1  ARG  20          HH11      ARG  20  67.151  -2.568   7.030
  129   2HH1  ARG  20          HH12      ARG  20  66.909  -4.149   7.692
  130   1HH2  ARG  20          HH21      ARG  20  65.711  -5.536   4.716
  131   2HH2  ARG  20          HH22      ARG  20  66.092  -5.834   6.379
  132    H    GLY  21           HN       GLY  21  62.349   1.547   5.552
  133   1HA   GLY  21          HA2       GLY  21  61.945   4.167   4.575
  134   2HA   GLY  21          HA1       GLY  21  61.870   3.027   3.237
  135    H    LEU  22           HN       LEU  22  59.667   4.630   4.110
  136    HA   LEU  22           HA       LEU  22  57.971   2.635   5.405
  137   1HB   LEU  22          HB2       LEU  22  56.814   5.298   4.974
  138   2HB   LEU  22          HB1       LEU  22  56.741   4.251   6.380
  139    HG   LEU  22           HG       LEU  22  59.202   5.716   5.631
  140   1HD1  LEU  22          HD11      LEU  22  57.780   7.526   5.868
  141   2HD1  LEU  22          HD12      LEU  22  58.412   7.323   7.502
  142   3HD1  LEU  22          HD13      LEU  22  56.807   6.716   7.096
  143   1HD2  LEU  22          HD21      LEU  22  59.822   4.194   7.219
  144   2HD2  LEU  22          HD22      LEU  22  58.239   4.207   7.993
  145   3HD2  LEU  22          HD23      LEU  22  59.356   5.547   8.248
  146    H    CYS  23           HN       CYS  23  55.541   4.048   4.451
  147    HA   CYS  23           HA       CYS  23  55.512   3.577   1.597
  148   1HB   CYS  23          HB2       CYS  23  54.069   1.712   1.618
  149   2HB   CYS  23          HB1       CYS  23  55.275   1.367   2.848
  150    H    PHE  24           HN       PHE  24  54.136   5.065   0.647
  151    HA   PHE  24           HA       PHE  24  51.600   5.532   1.917
  152   1HB   PHE  24          HB2       PHE  24  52.166   8.180   1.755
  153   2HB   PHE  24          HB1       PHE  24  52.153   7.232   3.225
  154    HD1  PHE  24           HD1      PHE  24  53.827   7.661   4.641
  155    HD2  PHE  24           HD2      PHE  24  54.630   7.923   0.466
  156    HE1  PHE  24           HE1      PHE  24  56.121   8.369   5.140
  157    HE2  PHE  24           HE2      PHE  24  56.931   8.627   0.968
  158    HZ   PHE  24           HZ       PHE  24  57.663   8.869   3.301
  159    H    CYS  25           HN       CYS  25  52.816   8.188   0.100
  160    HA   CYS  25           HA       CYS  25  50.813   8.057  -1.799
  161   1HB   CYS  25          HB2       CYS  25  51.917  10.120  -1.459
  162   2HB   CYS  25          HB1       CYS  25  53.503   9.409  -1.734
  163    H    GLY  26           HN       GLY  26  50.852   5.765  -2.322
  164   1HA   GLY  26          HA2       GLY  26  51.405   3.948  -3.582
  165   2HA   GLY  26          HA1       GLY  26  51.698   5.143  -4.834
  166    H    LYS  27           HN       LYS  27  53.700   5.246  -1.975
  167    HA   LYS  27           HA       LYS  27  55.707   3.569  -3.143
  168   1HB   LYS  27          HB2       LYS  27  55.726   6.446  -3.532
  169   2HB   LYS  27          HB1       LYS  27  57.224   5.838  -2.840
  170   1HG   LYS  27          HG2       LYS  27  57.515   4.319  -4.691
  171   2HG   LYS  27          HG1       LYS  27  55.950   4.787  -5.360
  172   1HD   LYS  27          HD2       LYS  27  57.784   7.024  -4.856
  173   2HD   LYS  27          HD1       LYS  27  58.340   5.880  -6.078
  174   1HE   LYS  27          HE2       LYS  27  56.960   6.790  -7.558
  175   2HE   LYS  27          HE1       LYS  27  55.585   6.370  -6.539
  176   1HZ   LYS  27          HZ1       LYS  27  56.221   8.865  -7.190
  177   2HZ   LYS  27          HZ2       LYS  27  57.083   8.727  -5.741
  178   3HZ   LYS  27          HZ3       LYS  27  55.413   8.459  -5.759
  179    H    CYS  28           HN       CYS  28  57.790   3.616  -2.021
  180    HA   CYS  28           HA       CYS  28  57.353   3.800   0.874
  181   1HB   CYS  28          HB2       CYS  28  59.574   2.299  -0.523
  182   2HB   CYS  28          HB1       CYS  28  59.050   2.124   1.143
  183    H    ARG  29           HN       ARG  29  58.426   5.362   1.957
  184    HA   ARG  29           HA       ARG  29  60.374   6.951   0.517
  185   1HB   ARG  29          HB2       ARG  29  60.180   8.538   2.275
  186   2HB   ARG  29          HB1       ARG  29  58.569   7.936   1.957
  187   1HG   ARG  29          HG2       ARG  29  58.341   7.085   4.013
  188   2HG   ARG  29          HG1       ARG  29  59.991   6.490   4.064
  189   1HD   ARG  29          HD2       ARG  29  59.036   9.286   4.613
  190   2HD   ARG  29          HD1       ARG  29  59.770   8.161   5.748
  191    HE   ARG  29           HE       ARG  29  61.868   8.518   4.704
  192   1HH1  ARG  29          HH11      ARG  29  59.342  10.577   3.429
  193   2HH1  ARG  29          HH12      ARG  29  60.451  11.724   2.761
  194   1HH2  ARG  29          HH21      ARG  29  63.315  10.030   3.821
  195   2HH2  ARG  29          HH22      ARG  29  62.702  11.416   2.982
  196    H    CYS  30           HN       CYS  30  62.073   5.553   0.284
  197    HA   CYS  30           HA       CYS  30  63.282   4.410   2.666
  198   1HB   CYS  30          HB2       CYS  30  64.735   3.963   0.179
  199   2HB   CYS  30          HB1       CYS  30  64.103   2.812   1.336
  200    H    HIS  31           HN       HIS  31  65.575   4.531   3.019
  201    HA   HIS  31           HA       HIS  31  66.546   7.262   2.663
  202   1HB   HIS  31          HB2       HIS  31  68.121   5.306   4.241
  203   2HB   HIS  31          HB1       HIS  31  67.710   6.978   4.606
  204    HD1  HIS  31           HD1      HIS  31  64.624   6.725   4.568
  205    HD2  HIS  31           HD2      HIS  31  67.176   4.066   6.487
  206    HE1  HIS  31           HE1      HIS  31  63.223   5.607   6.334
  207    HE2  HIS  31           HE2      HIS  31  64.814   4.068   7.541
  208    HA   PRO  32           HA       PRO  32  69.691   6.491  -0.289
  209   1HB   PRO  32          HB2       PRO  32  71.741   7.484   1.594
  210   2HB   PRO  32          HB1       PRO  32  71.304   8.082  -0.008
  211   1HG   PRO  32          HG2       PRO  32  70.615   9.435   2.188
  212   2HG   PRO  32          HG1       PRO  32  69.521   9.330   0.796
  213   1HD   PRO  32          HD2       PRO  32  69.427   7.850   3.391
  214   2HD   PRO  32          HD1       PRO  32  68.099   8.531   2.430
  215    H    GLY  33           HN       GLY  33  70.192   4.534  -0.735
  216   1HA   GLY  33          HA2       GLY  33  72.043   2.976  -0.668
  217   2HA   GLY  33          HA1       GLY  33  72.002   3.085   1.083
  218    H    PHE  34           HN       PHE  34  69.223   2.767  -1.079
  219    HA   PHE  34           HA       PHE  34  68.896  -0.033  -0.355
  220   1HB   PHE  34          HB2       PHE  34  66.893   2.106   0.384
  221   2HB   PHE  34          HB1       PHE  34  66.526   0.385   0.380
  222    HD1  PHE  34           HD1      PHE  34  67.018   2.876   2.540
  223    HD2  PHE  34           HD2      PHE  34  68.759  -0.888   1.588
  224    HE1  PHE  34           HE1      PHE  34  67.877   2.695   4.839
  225    HE2  PHE  34           HE2      PHE  34  69.620  -1.076   3.884
  226    HZ   PHE  34           HZ       PHE  34  69.179   0.716   5.514
  227    H    GLU  35           HN       GLU  35  67.266  -1.129  -1.628
  228    HA   GLU  35           HA       GLU  35  66.045   0.307  -3.813
  229   1HB   GLU  35          HB2       GLU  35  68.348  -1.574  -4.231
  230   2HB   GLU  35          HB1       GLU  35  67.117  -1.384  -5.471
  231   1HG   GLU  35          HG2       GLU  35  67.579   1.033  -5.523
  232   2HG   GLU  35          HG1       GLU  35  68.862   0.790  -4.338
  233    H    GLY  36           HN       GLY  36  66.909  -3.119  -3.977
  234   1HA   GLY  36          HA2       GLY  36  65.535  -4.973  -4.121
  235   2HA   GLY  36          HA1       GLY  36  64.814  -4.311  -2.658
  236    H    SER  37           HN       SER  37  62.828  -5.357  -3.513
  237    HA   SER  37           HA       SER  37  61.596  -4.281  -5.866
  238   1HB   SER  37          HB2       SER  37  60.862  -6.194  -3.732
  239   2HB   SER  37          HB1       SER  37  59.511  -5.293  -4.417
  240    HG   SER  37           HG       SER  37  59.672  -6.928  -5.796
  241    H    ALA  38           HN       ALA  38  62.102  -3.304  -2.703
  242    HA   ALA  38           HA       ALA  38  60.344  -0.980  -3.001
  243   1HB   ALA  38          HB1       ALA  38  59.057  -1.976  -1.431
  244   2HB   ALA  38          HB2       ALA  38  60.288  -1.318  -0.350
  245   3HB   ALA  38          HB3       ALA  38  60.371  -3.005  -0.860
  246    H    CYS  39           HN       CYS  39  62.311  -2.087  -0.306
  247    HA   CYS  39           HA       CYS  39  64.509  -0.446  -1.014
  248   1HB   CYS  39          HB2       CYS  39  63.558   0.330   1.663
  249   2HB   CYS  39          HB1       CYS  39  64.359   1.282   0.430
  250    H    GLN  40           HN       GLN  40  64.352  -3.158  -0.631
  251    HA   GLN  40           HA       GLN  40  65.362  -3.714   2.047
  252   1HB   GLN  40          HB2       GLN  40  65.123  -6.034   1.517
  253   2HB   GLN  40          HB1       GLN  40  63.676  -5.206   0.960
  254   1HG   GLN  40          HG2       GLN  40  65.617  -5.282  -1.143
  255   2HG   GLN  40          HG1       GLN  40  65.369  -6.899  -0.500
  256   1HE2  GLN  40          HE21      GLN  40  63.048  -4.264  -0.682
  257   2HE2  GLN  40          HE22      GLN  40  61.969  -5.049  -1.770
  258    H    ALA  41           HN       ALA  41  66.509  -3.525  -1.251
  259    HA   ALA  41           HA       ALA  41  69.138  -4.523  -0.433
  260   1HB   ALA  41          HB1       ALA  41  69.213  -3.948  -3.160
  261   2HB   ALA  41          HB2       ALA  41  67.604  -4.609  -2.869
  262   3HB   ALA  41          HB3       ALA  41  69.032  -5.533  -2.408
  Start of MODEL    5
    1   1H    GLU   1          HT1       GLU   1  46.750   9.841   3.444
    2   2H    GLU   1          HT2       GLU   1  47.615  11.042   2.573
    3   3H    GLU   1          HT3       GLU   1  47.558   9.428   1.989
    4    HA   GLU   1           HA       GLU   1  45.313   9.573   1.488
    5   1HB   GLU   1          HB2       GLU   1  44.119  11.770   1.990
    6   2HB   GLU   1          HB1       GLU   1  44.456  10.728   3.365
    7   1HG   GLU   1          HG2       GLU   1  46.315  12.092   4.018
    8   2HG   GLU   1          HG1       GLU   1  46.163  13.070   2.558
    9    H    CYS   2           HN       CYS   2  46.973   9.575  -0.325
   10    HA   CYS   2           HA       CYS   2  46.939  12.160  -1.739
   11   1HB   CYS   2          HB2       CYS   2  49.197  11.318  -1.207
   12   2HB   CYS   2          HB1       CYS   2  48.854   9.840  -2.098
   13    H    ASP   3           HN       ASP   3  46.922   8.656  -2.382
   14    HA   ASP   3           HA       ASP   3  44.592   8.623  -3.910
   15   1HB   ASP   3          HB2       ASP   3  46.444   9.965  -5.345
   16   2HB   ASP   3          HB1       ASP   3  46.810   8.322  -5.860
   17    H    THR   4           HN       THR   4  45.703   6.704  -5.940
   18    HA   THR   4           HA       THR   4  45.742   4.379  -4.220
   19    HB   THR   4           HB       THR   4  45.496   3.089  -6.238
   20    HG1  THR   4           HG1      THR   4  46.949   4.168  -7.573
   21   1HG2  THR   4          HG21      THR   4  43.388   3.901  -5.790
   22   2HG2  THR   4          HG22      THR   4  43.641   4.403  -7.461
   23   3HG2  THR   4          HG23      THR   4  43.838   5.567  -6.152
   24    H    ILE   5           HN       ILE   5  47.689   4.353  -3.214
   25    HA   ILE   5           HA       ILE   5  49.972   3.518  -4.770
   26    HB   ILE   5           HB       ILE   5  51.477   5.152  -3.695
   27   1HG1  ILE   5          HG12      ILE   5  49.580   5.705  -1.952
   28   2HG1  ILE   5          HG11      ILE   5  50.745   6.931  -2.412
   29   1HG2  ILE   5          HG21      ILE   5  50.904   7.042  -5.187
   30   2HG2  ILE   5          HG22      ILE   5  49.349   6.283  -5.499
   31   3HG2  ILE   5          HG23      ILE   5  50.837   5.477  -5.992
   32   1HD1  ILE   5          HD11      ILE   5  48.343   6.855  -4.073
   33   2HD1  ILE   5          HD12      ILE   5  49.188   8.225  -3.350
   34   3HD1  ILE   5          HD13      ILE   5  48.073   7.265  -2.380
   35    H    ASN   6           HN       ASN   6  48.976   1.799  -3.427
   36    HA   ASN   6           HA       ASN   6  49.503   1.891  -0.609
   37   1HB   ASN   6          HB2       ASN   6  48.035   0.211  -2.501
   38   2HB   ASN   6          HB1       ASN   6  48.753  -0.669  -1.154
   39   1HD2  ASN   6          HD21      ASN   6  47.413   2.584  -1.378
   40   2HD2  ASN   6          HD22      ASN   6  46.202   2.370  -0.165
   41    H    CYS   7           HN       CYS   7  51.086   0.970   0.477
   42    HA   CYS   7           HA       CYS   7  53.586   0.637  -0.422
   43   1HB   CYS   7          HB2       CYS   7  52.171  -0.686   1.857
   44   2HB   CYS   7          HB1       CYS   7  53.853  -1.061   1.528
   45    H    GLU   8           HN       GLU   8  54.957  -0.943  -1.076
   46    HA   GLU   8           HA       GLU   8  53.735  -3.240  -2.419
   47   1HB   GLU   8          HB2       GLU   8  56.599  -2.249  -2.531
   48   2HB   GLU   8          HB1       GLU   8  55.875  -3.470  -3.568
   49   1HG   GLU   8          HG2       GLU   8  55.008  -0.590  -3.468
   50   2HG   GLU   8          HG1       GLU   8  56.136  -1.260  -4.647
   51    H    ARG   9           HN       ARG   9  55.446  -5.259  -2.296
   52    HA   ARG   9           HA       ARG   9  56.293  -5.447   0.496
   53   1HB   ARG   9          HB2       ARG   9  54.839  -7.685  -0.867
   54   2HB   ARG   9          HB1       ARG   9  55.376  -7.624   0.808
   55   1HG   ARG   9          HG2       ARG   9  53.690  -6.205   1.431
   56   2HG   ARG   9          HG1       ARG   9  53.484  -5.550  -0.194
   57   1HD   ARG   9          HD2       ARG   9  52.743  -8.002  -0.749
   58   2HD   ARG   9          HD1       ARG   9  52.439  -8.085   0.985
   59    HE   ARG   9           HE       ARG   9  50.631  -6.702   0.708
   60   1HH1  ARG   9          HH11      ARG   9  52.562  -6.653  -2.199
   61   2HH1  ARG   9          HH12      ARG   9  51.383  -5.779  -3.117
   62   1HH2  ARG   9          HH21      ARG   9  49.078  -5.553  -0.498
   63   2HH2  ARG   9          HH22      ARG   9  49.405  -5.154  -2.152
   64    H    TYR  10           HN       TYR  10  58.088  -6.281   0.902
   65    HA   TYR  10           HA       TYR  10  59.753  -7.325  -1.239
   66   1HB   TYR  10          HB2       TYR  10  61.606  -6.807   0.208
   67   2HB   TYR  10          HB1       TYR  10  60.488  -5.468   0.302
   68    HD1  TYR  10           HD1      TYR  10  58.701  -5.751   2.248
   69    HD2  TYR  10           HD2      TYR  10  62.540  -7.550   2.128
   70    HE1  TYR  10           HE1      TYR  10  58.725  -5.830   4.670
   71    HE2  TYR  10           HE2      TYR  10  62.567  -7.656   4.581
   72    HH   TYR  10           HH       TYR  10  60.867  -7.706   6.449
   73    H    ASN  11           HN       ASN  11  61.413  -8.729   0.884
   74    HA   ASN  11           HA       ASN  11  59.918 -11.219   0.765
   75   1HB   ASN  11          HB2       ASN  11  62.776 -10.627   1.545
   76   2HB   ASN  11          HB1       ASN  11  62.069 -12.240   1.526
   77   1HD2  ASN  11          HD21      ASN  11  61.265 -13.036  -0.523
   78   2HD2  ASN  11          HD22      ASN  11  62.025 -12.522  -1.986
   79    H    GLY  12           HN       GLY  12  58.377 -10.222   2.471
   80   1HA   GLY  12          HA2       GLY  12  58.224 -11.544   4.730
   81   2HA   GLY  12          HA1       GLY  12  59.506 -10.436   5.172
   82    H    GLN  13           HN       GLN  13  58.286  -8.152   3.728
   83    HA   GLN  13           HA       GLN  13  55.754  -7.751   5.108
   84   1HB   GLN  13          HB2       GLN  13  57.853  -5.654   5.486
   85   2HB   GLN  13          HB1       GLN  13  56.432  -5.977   6.467
   86   1HG   GLN  13          HG2       GLN  13  58.696  -7.932   6.376
   87   2HG   GLN  13          HG1       GLN  13  58.758  -6.517   7.416
   88   1HE2  GLN  13          HE21      GLN  13  56.331  -6.258   8.428
   89   2HE2  GLN  13          HE22      GLN  13  55.854  -7.660   9.317
   90    H    VAL  14           HN       VAL  14  55.842  -4.892   4.816
   91    HA   VAL  14           HA       VAL  14  55.622  -4.736   1.903
   92    HB   VAL  14           HB       VAL  14  54.102  -2.863   2.220
   93   1HG1  VAL  14          HG11      VAL  14  52.450  -4.218   3.868
   94   2HG1  VAL  14          HG12      VAL  14  53.596  -5.490   3.448
   95   3HG1  VAL  14          HG13      VAL  14  52.718  -4.641   2.177
   96   1HG2  VAL  14          HG21      VAL  14  53.392  -2.743   4.844
   97   2HG2  VAL  14          HG22      VAL  14  54.494  -1.619   4.050
   98   3HG2  VAL  14          HG23      VAL  14  55.135  -2.984   4.963
   99    H    CYS  15           HN       CYS  15  57.242  -3.784   0.911
  100    HA   CYS  15           HA       CYS  15  58.898  -2.320   0.378
  101   1HB   CYS  15          HB2       CYS  15  56.957  -0.757   1.425
  102   2HB   CYS  15          HB1       CYS  15  58.279  -0.405   2.527
  103    H    GLY  16           HN       GLY  16  59.793  -4.322   1.846
  104   1HA   GLY  16          HA2       GLY  16  61.443  -4.979   3.322
  105   2HA   GLY  16          HA1       GLY  16  62.164  -3.446   2.950
  106    H    GLY  17           HN       GLY  17  59.034  -3.817   4.452
  107   1HA   GLY  17          HA2       GLY  17  58.210  -3.296   6.520
  108   2HA   GLY  17          HA1       GLY  17  59.790  -3.700   7.163
  109    HA   PRO  18           HA       PRO  18  58.752   1.015   7.171
  110   1HB   PRO  18          HB2       PRO  18  58.300   0.681  10.060
  111   2HB   PRO  18          HB1       PRO  18  57.340   1.553   8.862
  112   1HG   PRO  18          HG2       PRO  18  56.496  -0.762   9.938
  113   2HG   PRO  18          HG1       PRO  18  56.142  -0.323   8.258
  114   1HD   PRO  18          HD2       PRO  18  58.199  -2.214   9.331
  115   2HD   PRO  18          HD1       PRO  18  57.164  -2.368   7.896
  116    H    GLY  19           HN       GLY  19  60.748  -1.228   8.840
  117   1HA   GLY  19          HA2       GLY  19  62.406   0.790  10.109
  118   2HA   GLY  19          HA1       GLY  19  62.700  -0.943  10.086
  119    H    ARG  20           HN       ARG  20  62.023   0.794   7.187
  120    HA   ARG  20           HA       ARG  20  64.784   1.140   6.407
  121   1HB   ARG  20          HB2       ARG  20  62.971  -0.784   4.929
  122   2HB   ARG  20          HB1       ARG  20  64.600  -0.328   4.448
  123   1HG   ARG  20          HG2       ARG  20  65.412  -1.294   6.611
  124   2HG   ARG  20          HG1       ARG  20  63.778  -1.901   6.879
  125   1HD   ARG  20          HD2       ARG  20  64.656  -3.737   5.883
  126   2HD   ARG  20          HD1       ARG  20  64.166  -2.868   4.432
  127    HE   ARG  20           HE       ARG  20  66.370  -2.643   3.878
  128   1HH1  ARG  20          HH11      ARG  20  66.145  -3.432   7.269
  129   2HH1  ARG  20          HH12      ARG  20  67.855  -3.607   7.473
  130   1HH2  ARG  20          HH21      ARG  20  68.624  -2.875   4.144
  131   2HH2  ARG  20          HH22      ARG  20  69.263  -3.291   5.698
  132    H    GLY  21           HN       GLY  21  61.371   1.095   5.473
  133   1HA   GLY  21          HA2       GLY  21  61.301   3.774   4.636
  134   2HA   GLY  21          HA1       GLY  21  61.547   2.760   3.225
  135    H    LEU  22           HN       LEU  22  59.341   4.159   3.100
  136    HA   LEU  22           HA       LEU  22  57.280   2.158   3.480
  137   1HB   LEU  22          HB2       LEU  22  55.788   4.295   4.066
  138   2HB   LEU  22          HB1       LEU  22  56.525   3.263   5.281
  139    HG   LEU  22           HG       LEU  22  58.250   5.363   4.309
  140   1HD1  LEU  22          HD11      LEU  22  56.037   6.501   4.243
  141   2HD1  LEU  22          HD12      LEU  22  57.171   7.212   5.391
  142   3HD1  LEU  22          HD13      LEU  22  55.871   6.169   5.967
  143   1HD2  LEU  22          HD21      LEU  22  58.296   3.705   6.400
  144   2HD2  LEU  22          HD22      LEU  22  57.512   5.090   7.161
  145   3HD2  LEU  22          HD23      LEU  22  59.100   5.275   6.416
  146    H    CYS  23           HN       CYS  23  55.114   3.329   2.541
  147    HA   CYS  23           HA       CYS  23  55.878   4.093  -0.181
  148   1HB   CYS  23          HB2       CYS  23  53.485   3.529  -0.732
  149   2HB   CYS  23          HB1       CYS  23  54.468   2.175  -0.189
  150    H    PHE  24           HN       PHE  24  55.088   5.984  -1.143
  151    HA   PHE  24           HA       PHE  24  53.639   7.731   0.744
  152   1HB   PHE  24          HB2       PHE  24  56.155   8.209  -0.720
  153   2HB   PHE  24          HB1       PHE  24  55.011   9.550  -0.695
  154    HD1  PHE  24           HD1      PHE  24  54.520  10.737   1.336
  155    HD2  PHE  24           HD2      PHE  24  57.066   7.337   1.297
  156    HE1  PHE  24           HE1      PHE  24  55.254  11.252   3.643
  157    HE2  PHE  24           HE2      PHE  24  57.813   7.836   3.592
  158    HZ   PHE  24           HZ       PHE  24  56.899   9.796   4.768
  159    H    CYS  25           HN       CYS  25  53.087   9.809  -0.474
  160    HA   CYS  25           HA       CYS  25  50.907   9.345  -2.113
  161   1HB   CYS  25          HB2       CYS  25  50.993  11.353  -0.923
  162   2HB   CYS  25          HB1       CYS  25  52.659  11.673  -1.402
  163    H    GLY  26           HN       GLY  26  52.030   7.770  -3.588
  164   1HA   GLY  26          HA2       GLY  26  52.130   8.262  -6.142
  165   2HA   GLY  26          HA1       GLY  26  53.634   9.047  -5.681
  166    H    LYS  27           HN       LYS  27  54.878   7.419  -4.001
  167    HA   LYS  27           HA       LYS  27  54.770   4.665  -4.918
  168   1HB   LYS  27          HB2       LYS  27  56.917   6.583  -5.670
  169   2HB   LYS  27          HB1       LYS  27  57.332   4.900  -5.381
  170   1HG   LYS  27          HG2       LYS  27  56.771   4.462  -7.482
  171   2HG   LYS  27          HG1       LYS  27  55.098   4.838  -7.064
  172   1HD   LYS  27          HD2       LYS  27  55.948   7.319  -7.429
  173   2HD   LYS  27          HD1       LYS  27  57.139   6.504  -8.446
  174   1HE   LYS  27          HE2       LYS  27  54.744   5.316  -9.153
  175   2HE   LYS  27          HE1       LYS  27  54.316   7.010  -8.919
  176   1HZ   LYS  27          HZ1       LYS  27  55.285   6.059 -11.191
  177   2HZ   LYS  27          HZ2       LYS  27  56.738   6.492 -10.443
  178   3HZ   LYS  27          HZ3       LYS  27  55.534   7.654 -10.685
  179    H    CYS  28           HN       CYS  28  56.942   3.544  -4.023
  180    HA   CYS  28           HA       CYS  28  56.890   4.016  -1.167
  181   1HB   CYS  28          HB2       CYS  28  57.261   1.746  -2.780
  182   2HB   CYS  28          HB1       CYS  28  58.810   2.015  -1.990
  183    H    ARG  29           HN       ARG  29  58.381   5.078  -0.045
  184    HA   ARG  29           HA       ARG  29  60.823   5.904  -1.448
  185   1HB   ARG  29          HB2       ARG  29  58.927   7.553  -0.525
  186   2HB   ARG  29          HB1       ARG  29  59.883   7.396   0.941
  187   1HG   ARG  29          HG2       ARG  29  61.199   8.989   0.159
  188   2HG   ARG  29          HG1       ARG  29  61.745   7.848  -1.070
  189   1HD   ARG  29          HD2       ARG  29  60.916  10.062  -1.927
  190   2HD   ARG  29          HD1       ARG  29  60.159   8.639  -2.640
  191    HE   ARG  29           HE       ARG  29  58.664   9.585  -0.421
  192   1HH1  ARG  29          HH11      ARG  29  59.363  10.271  -3.771
  193   2HH1  ARG  29          HH12      ARG  29  57.858  11.079  -4.050
  194   1HH2  ARG  29          HH21      ARG  29  56.682  10.649  -0.787
  195   2HH2  ARG  29          HH22      ARG  29  56.336  11.294  -2.356
  196    H    CYS  30           HN       CYS  30  62.370   4.557  -0.837
  197    HA   CYS  30           HA       CYS  30  62.580   3.596   1.891
  198   1HB   CYS  30          HB2       CYS  30  63.148   2.244  -0.237
  199   2HB   CYS  30          HB1       CYS  30  64.627   3.183  -0.285
  200    H    HIS  31           HN       HIS  31  64.522   3.913   3.176
  201    HA   HIS  31           HA       HIS  31  65.316   6.624   3.271
  202   1HB   HIS  31          HB2       HIS  31  66.601   4.244   4.624
  203   2HB   HIS  31          HB1       HIS  31  66.828   5.933   5.067
  204    HD1  HIS  31           HD1      HIS  31  63.660   6.546   4.718
  205    HD2  HIS  31           HD2      HIS  31  65.438   3.640   7.094
  206    HE1  HIS  31           HE1      HIS  31  61.981   6.030   6.517
  207    HE2  HIS  31           HE2      HIS  31  63.042   4.201   7.888
  208    HA   PRO  32           HA       PRO  32  68.784   6.962   0.593
  209   1HB   PRO  32          HB2       PRO  32  70.333   8.199   2.782
  210   2HB   PRO  32          HB1       PRO  32  69.875   8.869   1.213
  211   1HG   PRO  32          HG2       PRO  32  68.700   9.704   3.466
  212   2HG   PRO  32          HG1       PRO  32  67.785   9.534   1.957
  213   1HD   PRO  32          HD2       PRO  32  67.865   7.725   4.338
  214   2HD   PRO  32          HD1       PRO  32  66.484   8.201   3.329
  215    H    GLY  33           HN       GLY  33  69.851   5.285   0.028
  216   1HA   GLY  33          HA2       GLY  33  71.921   4.133   0.111
  217   2HA   GLY  33          HA1       GLY  33  71.869   4.201   1.863
  218    H    PHE  34           HN       PHE  34  69.087   3.335  -0.070
  219    HA   PHE  34           HA       PHE  34  69.406   0.536   0.789
  220   1HB   PHE  34          HB2       PHE  34  67.035   2.361   0.967
  221   2HB   PHE  34          HB1       PHE  34  66.791   0.625   0.799
  222    HD1  PHE  34           HD1      PHE  34  69.089  -0.340   2.452
  223    HD2  PHE  34           HD2      PHE  34  66.257   2.756   3.160
  224    HE1  PHE  34           HE1      PHE  34  69.392  -0.624   4.873
  225    HE2  PHE  34           HE2      PHE  34  66.558   2.477   5.581
  226    HZ   PHE  34           HZ       PHE  34  68.126   0.786   6.442
  227    H    GLU  35           HN       GLU  35  67.848  -0.941  -0.511
  228    HA   GLU  35           HA       GLU  35  67.256  -0.039  -3.188
  229   1HB   GLU  35          HB2       GLU  35  69.532  -1.915  -2.616
  230   2HB   GLU  35          HB1       GLU  35  68.657  -2.004  -4.138
  231   1HG   GLU  35          HG2       GLU  35  70.128   0.395  -3.072
  232   2HG   GLU  35          HG1       GLU  35  70.667  -0.674  -4.365
  233    H    GLY  36           HN       GLY  36  68.011  -3.398  -2.834
  234   1HA   GLY  36          HA2       GLY  36  66.694  -5.272  -2.698
  235   2HA   GLY  36          HA1       GLY  36  65.599  -4.319  -1.701
  236    H    SER  37           HN       SER  37  63.861  -5.446  -2.711
  237    HA   SER  37           HA       SER  37  63.358  -4.786  -5.522
  238   1HB   SER  37          HB2       SER  37  62.500  -6.919  -3.698
  239   2HB   SER  37          HB1       SER  37  61.164  -6.221  -4.613
  240    HG   SER  37           HG       SER  37  62.255  -7.990  -5.673
  241    H    ALA  38           HN       ALA  38  62.699  -3.868  -2.358
  242    HA   ALA  38           HA       ALA  38  60.746  -1.871  -3.223
  243   1HB   ALA  38          HB1       ALA  38  59.792  -3.974  -1.979
  244   2HB   ALA  38          HB2       ALA  38  59.232  -2.353  -1.570
  245   3HB   ALA  38          HB3       ALA  38  60.429  -3.155  -0.556
  246    H    CYS  39           HN       CYS  39  62.103  -2.908  -0.140
  247    HA   CYS  39           HA       CYS  39  63.874  -0.698  -0.019
  248   1HB   CYS  39          HB2       CYS  39  61.766   0.369   0.589
  249   2HB   CYS  39          HB1       CYS  39  61.517  -0.838   1.832
  250    H    GLN  40           HN       GLN  40  63.693  -3.729   0.282
  251    HA   GLN  40           HA       GLN  40  64.315  -4.293   3.014
  252   1HB   GLN  40          HB2       GLN  40  64.434  -6.544   2.377
  253   2HB   GLN  40          HB1       GLN  40  63.212  -5.843   1.327
  254   1HG   GLN  40          HG2       GLN  40  65.477  -5.526  -0.158
  255   2HG   GLN  40          HG1       GLN  40  65.783  -7.050   0.666
  256   1HE2  GLN  40          HE21      GLN  40  62.958  -5.471  -0.760
  257   2HE2  GLN  40          HE22      GLN  40  62.477  -6.821  -1.720
  258    H    ALA  41           HN       ALA  41  66.273  -3.749   0.132
  259    HA   ALA  41           HA       ALA  41  68.673  -4.662   1.461
  260   1HB   ALA  41          HB1       ALA  41  68.797  -3.116  -1.072
  261   2HB   ALA  41          HB2       ALA  41  68.043  -4.710  -1.096
  262   3HB   ALA  41          HB3       ALA  41  69.715  -4.533  -0.564
  Start of MODEL    6
    1   1H    GLU   1          HT1       GLU   1  46.494   6.996   2.516
    2   2H    GLU   1          HT2       GLU   1  47.472   8.341   2.936
    3   3H    GLU   1          HT3       GLU   1  47.596   7.642   1.375
    4    HA   GLU   1           HA       GLU   1  45.282   8.240   0.976
    5   1HB   GLU   1          HB2       GLU   1  45.632   9.934   3.451
    6   2HB   GLU   1          HB1       GLU   1  44.173   9.725   2.493
    7   1HG   GLU   1          HG2       GLU   1  44.129   7.343   3.178
    8   2HG   GLU   1          HG1       GLU   1  45.503   7.663   4.234
    9    H    CYS   2           HN       CYS   2  46.392   9.065  -0.801
   10    HA   CYS   2           HA       CYS   2  46.619  11.849  -0.981
   11   1HB   CYS   2          HB2       CYS   2  48.673  11.320   0.425
   12   2HB   CYS   2          HB1       CYS   2  49.336  10.529  -1.000
   13    H    ASP   3           HN       ASP   3  47.518   8.702  -2.240
   14    HA   ASP   3           HA       ASP   3  46.634   9.389  -4.869
   15   1HB   ASP   3          HB2       ASP   3  49.275  10.074  -4.298
   16   2HB   ASP   3          HB1       ASP   3  49.413   8.536  -5.144
   17    H    THR   4           HN       THR   4  48.272   7.403  -6.206
   18    HA   THR   4           HA       THR   4  46.957   5.010  -5.275
   19    HB   THR   4           HB       THR   4  47.806   3.985  -7.315
   20    HG1  THR   4           HG1      THR   4  49.781   4.750  -7.664
   21   1HG2  THR   4          HG21      THR   4  45.841   5.469  -7.570
   22   2HG2  THR   4          HG22      THR   4  46.819   5.319  -9.029
   23   3HG2  THR   4          HG23      THR   4  46.937   6.771  -8.034
   24    H    ILE   5           HN       ILE   5  47.890   3.920  -3.728
   25    HA   ILE   5           HA       ILE   5  50.763   3.474  -3.784
   26    HB   ILE   5           HB       ILE   5  50.457   3.928  -1.129
   27   1HG1  ILE   5          HG12      ILE   5  49.339   6.062  -0.806
   28   2HG1  ILE   5          HG11      ILE   5  48.939   6.138  -2.520
   29   1HG2  ILE   5          HG21      ILE   5  51.484   6.250  -1.819
   30   2HG2  ILE   5          HG22      ILE   5  51.551   5.463  -3.393
   31   3HG2  ILE   5          HG23      ILE   5  52.371   4.741  -2.009
   32   1HD1  ILE   5          HD11      ILE   5  46.981   5.271  -1.921
   33   2HD1  ILE   5          HD12      ILE   5  47.585   4.771  -0.343
   34   3HD1  ILE   5          HD13      ILE   5  47.844   3.746  -1.751
   35    H    ASN   6           HN       ASN   6  49.823   1.459  -4.383
   36    HA   ASN   6           HA       ASN   6  48.640  -0.086  -2.223
   37   1HB   ASN   6          HB2       ASN   6  48.098  -1.688  -3.916
   38   2HB   ASN   6          HB1       ASN   6  47.726  -0.092  -4.562
   39   1HD2  ASN   6          HD21      ASN   6  49.151   0.848  -6.067
   40   2HD2  ASN   6          HD22      ASN   6  50.166  -0.137  -7.058
   41    H    CYS   7           HN       CYS   7  50.945   0.660  -1.475
   42    HA   CYS   7           HA       CYS   7  53.341   0.112  -1.676
   43   1HB   CYS   7          HB2       CYS   7  51.991  -1.387   0.551
   44   2HB   CYS   7          HB1       CYS   7  53.617  -0.710   0.551
   45    H    GLU   8           HN       GLU   8  54.870  -1.254  -2.176
   46    HA   GLU   8           HA       GLU   8  54.143  -3.935  -3.070
   47   1HB   GLU   8          HB2       GLU   8  56.828  -2.561  -3.220
   48   2HB   GLU   8          HB1       GLU   8  56.332  -3.998  -4.095
   49   1HG   GLU   8          HG2       GLU   8  55.202  -1.233  -4.468
   50   2HG   GLU   8          HG1       GLU   8  56.356  -2.032  -5.534
   51    H    ARG   9           HN       ARG   9  54.586  -5.709  -1.887
   52    HA   ARG   9           HA       ARG   9  55.966  -5.308   0.636
   53   1HB   ARG   9          HB2       ARG   9  54.501  -7.735  -0.353
   54   2HB   ARG   9          HB1       ARG   9  55.137  -7.508   1.265
   55   1HG   ARG   9          HG2       ARG   9  53.239  -6.552   1.881
   56   2HG   ARG   9          HG1       ARG   9  53.464  -5.297   0.661
   57   1HD   ARG   9          HD2       ARG   9  51.537  -6.111  -0.171
   58   2HD   ARG   9          HD1       ARG   9  52.591  -7.331  -0.884
   59    HE   ARG   9           HE       ARG   9  51.639  -7.994   1.750
   60   1HH1  ARG   9          HH11      ARG   9  50.970  -8.154  -1.671
   61   2HH1  ARG   9          HH12      ARG   9  49.916  -9.520  -1.528
   62   1HH2  ARG   9          HH21      ARG   9  50.249  -9.789   1.941
   63   2HH2  ARG   9          HH22      ARG   9  49.505 -10.447   0.521
   64    H    TYR  10           HN       TYR  10  57.852  -6.103   1.185
   65    HA   TYR  10           HA       TYR  10  59.412  -7.362  -0.888
   66   1HB   TYR  10          HB2       TYR  10  61.347  -6.817   0.382
   67   2HB   TYR  10          HB1       TYR  10  60.288  -5.440   0.378
   68    HD1  TYR  10           HD1      TYR  10  58.721  -5.295   2.532
   69    HD2  TYR  10           HD2      TYR  10  62.404  -7.392   2.276
   70    HE1  TYR  10           HE1      TYR  10  59.068  -4.964   4.929
   71    HE2  TYR  10           HE2      TYR  10  62.745  -7.109   4.691
   72    HH   TYR  10           HH       TYR  10  61.482  -4.978   6.477
   73    H    ASN  11           HN       ASN  11  60.993  -8.572   1.581
   74    HA   ASN  11           HA       ASN  11  59.865 -11.169   1.133
   75   1HB   ASN  11          HB2       ASN  11  62.392 -10.329   1.509
   76   2HB   ASN  11          HB1       ASN  11  62.011 -10.855   3.144
   77   1HD2  ASN  11          HD21      ASN  11  63.928 -12.015   1.402
   78   2HD2  ASN  11          HD22      ASN  11  63.435 -13.643   1.096
   79    H    GLY  12           HN       GLY  12  57.763 -10.587   2.221
   80   1HA   GLY  12          HA2       GLY  12  56.556 -11.671   3.972
   81   2HA   GLY  12          HA1       GLY  12  57.947 -11.473   5.015
   82    H    GLN  13           HN       GLN  13  57.979  -8.516   3.992
   83    HA   GLN  13           HA       GLN  13  55.887  -7.634   5.866
   84   1HB   GLN  13          HB2       GLN  13  58.558  -6.390   5.236
   85   2HB   GLN  13          HB1       GLN  13  57.361  -5.683   6.308
   86   1HG   GLN  13          HG2       GLN  13  59.195  -6.849   7.484
   87   2HG   GLN  13          HG1       GLN  13  57.590  -7.446   7.882
   88   1HE2  GLN  13          HE21      GLN  13  59.812  -8.126   5.203
   89   2HE2  GLN  13          HE22      GLN  13  59.871  -9.830   5.460
   90    H    VAL  14           HN       VAL  14  56.963  -4.813   4.829
   91    HA   VAL  14           HA       VAL  14  55.627  -4.755   2.251
   92    HB   VAL  14           HB       VAL  14  54.313  -2.696   3.048
   93   1HG1  VAL  14          HG11      VAL  14  53.016  -4.507   2.424
   94   2HG1  VAL  14          HG12      VAL  14  52.527  -4.246   4.097
   95   3HG1  VAL  14          HG13      VAL  14  53.657  -5.538   3.702
   96   1HG2  VAL  14          HG21      VAL  14  54.014  -2.268   5.262
   97   2HG2  VAL  14          HG22      VAL  14  55.650  -2.923   5.329
   98   3HG2  VAL  14          HG23      VAL  14  54.273  -3.947   5.736
   99    H    CYS  15           HN       CYS  15  56.994  -3.737   0.974
  100    HA   CYS  15           HA       CYS  15  58.368  -2.177   0.101
  101   1HB   CYS  15          HB2       CYS  15  56.743  -0.724   1.975
  102   2HB   CYS  15          HB1       CYS  15  58.359  -0.041   1.932
  103    H    GLY  16           HN       GLY  16  59.632  -4.126   1.633
  104   1HA   GLY  16          HA2       GLY  16  61.668  -4.536   2.636
  105   2HA   GLY  16          HA1       GLY  16  62.141  -2.952   2.098
  106    H    GLY  17           HN       GLY  17  59.347  -3.105   4.071
  107   1HA   GLY  17          HA2       GLY  17  58.889  -2.537   6.229
  108   2HA   GLY  17          HA1       GLY  17  60.496  -3.103   6.640
  109    HA   PRO  18           HA       PRO  18  59.762   1.770   6.576
  110   1HB   PRO  18          HB2       PRO  18  59.591   1.326   9.512
  111   2HB   PRO  18          HB1       PRO  18  58.731   2.488   8.495
  112   1HG   PRO  18          HG2       PRO  18  57.500   0.314   9.429
  113   2HG   PRO  18          HG1       PRO  18  57.170   0.925   7.798
  114   1HD   PRO  18          HD2       PRO  18  58.790  -1.430   8.650
  115   2HD   PRO  18          HD1       PRO  18  57.770  -1.218   7.213
  116    H    GLY  19           HN       GLY  19  61.493  -0.519   8.635
  117   1HA   GLY  19          HA2       GLY  19  63.485   1.050   9.700
  118   2HA   GLY  19          HA1       GLY  19  63.731  -0.613   9.185
  119    H    ARG  20           HN       ARG  20  63.064   0.065   6.394
  120    HA   ARG  20           HA       ARG  20  65.544   1.484   5.678
  121   1HB   ARG  20          HB2       ARG  20  64.229  -0.633   3.983
  122   2HB   ARG  20          HB1       ARG  20  65.849   0.027   3.831
  123   1HG   ARG  20          HG2       ARG  20  65.115  -1.399   6.337
  124   2HG   ARG  20          HG1       ARG  20  65.446  -2.336   4.879
  125   1HD   ARG  20          HD2       ARG  20  67.378  -0.204   5.519
  126   2HD   ARG  20          HD1       ARG  20  67.344  -1.570   6.630
  127    HE   ARG  20           HE       ARG  20  68.139  -1.608   3.829
  128   1HH1  ARG  20          HH11      ARG  20  67.454  -3.427   6.734
  129   2HH1  ARG  20          HH12      ARG  20  68.322  -4.829   6.206
  130   1HH2  ARG  20          HH21      ARG  20  69.275  -3.454   3.139
  131   2HH2  ARG  20          HH22      ARG  20  69.354  -4.845   4.169
  132    H    GLY  21           HN       GLY  21  62.142   0.999   5.024
  133   1HA   GLY  21          HA2       GLY  21  61.910   3.591   3.850
  134   2HA   GLY  21          HA1       GLY  21  61.782   2.325   2.639
  135    H    LEU  22           HN       LEU  22  59.782   4.272   3.546
  136    HA   LEU  22           HA       LEU  22  57.711   2.375   4.352
  137   1HB   LEU  22          HB2       LEU  22  56.582   4.267   5.541
  138   2HB   LEU  22          HB1       LEU  22  58.054   3.667   6.292
  139    HG   LEU  22           HG       LEU  22  58.608   5.730   4.404
  140   1HD1  LEU  22          HD11      LEU  22  56.661   6.877   4.784
  141   2HD1  LEU  22          HD12      LEU  22  57.658   7.513   6.093
  142   3HD1  LEU  22          HD13      LEU  22  56.482   6.240   6.418
  143   1HD2  LEU  22          HD21      LEU  22  59.838   4.711   6.537
  144   2HD2  LEU  22          HD22      LEU  22  59.071   6.102   7.302
  145   3HD2  LEU  22          HD23      LEU  22  60.168   6.338   5.942
  146    H    CYS  23           HN       CYS  23  55.495   3.151   3.837
  147    HA   CYS  23           HA       CYS  23  55.412   4.029   1.084
  148   1HB   CYS  23          HB2       CYS  23  53.885   2.351   2.749
  149   2HB   CYS  23          HB1       CYS  23  52.835   3.697   2.340
  150    H    PHE  24           HN       PHE  24  54.713   6.051   0.369
  151    HA   PHE  24           HA       PHE  24  53.587   7.811   2.452
  152   1HB   PHE  24          HB2       PHE  24  56.031   8.202   0.878
  153   2HB   PHE  24          HB1       PHE  24  54.935   9.581   0.862
  154    HD1  PHE  24           HD1      PHE  24  53.801   9.737   3.446
  155    HD2  PHE  24           HD2      PHE  24  57.719   8.546   2.317
  156    HE1  PHE  24           HE1      PHE  24  54.630  10.333   5.694
  157    HE2  PHE  24           HE2      PHE  24  58.564   9.138   4.555
  158    HZ   PHE  24           HZ       PHE  24  57.013  10.028   6.249
  159    H    CYS  25           HN       CYS  25  53.036   9.969   1.284
  160    HA   CYS  25           HA       CYS  25  50.664   9.736   0.043
  161   1HB   CYS  25          HB2       CYS  25  51.148  11.862   0.739
  162   2HB   CYS  25          HB1       CYS  25  52.808  11.789   0.147
  163    H    GLY  26           HN       GLY  26  50.717   8.002  -1.449
  164   1HA   GLY  26          HA2       GLY  26  50.642   7.198  -3.591
  165   2HA   GLY  26          HA1       GLY  26  51.105   8.798  -4.149
  166    H    LYS  27           HN       LYS  27  53.399   7.692  -1.923
  167    HA   LYS  27           HA       LYS  27  54.907   6.113  -3.807
  168   1HB   LYS  27          HB2       LYS  27  55.445   8.972  -3.376
  169   2HB   LYS  27          HB1       LYS  27  56.854   7.922  -3.321
  170   1HG   LYS  27          HG2       LYS  27  56.917   8.121  -5.535
  171   2HG   LYS  27          HG1       LYS  27  55.513   7.052  -5.565
  172   1HD   LYS  27          HD2       LYS  27  54.101   8.717  -6.121
  173   2HD   LYS  27          HD1       LYS  27  54.905   9.885  -5.069
  174   1HE   LYS  27          HE2       LYS  27  56.805   9.593  -6.936
  175   2HE   LYS  27          HE1       LYS  27  55.384   9.239  -7.917
  176   1HZ   LYS  27          HZ1       LYS  27  54.480  11.395  -6.841
  177   2HZ   LYS  27          HZ2       LYS  27  55.573  11.506  -8.126
  178   3HZ   LYS  27          HZ3       LYS  27  56.110  11.735  -6.539
  179    H    CYS  28           HN       CYS  28  56.511   4.898  -2.945
  180    HA   CYS  28           HA       CYS  28  56.698   4.890  -0.032
  181   1HB   CYS  28          HB2       CYS  28  56.488   2.816  -1.756
  182   2HB   CYS  28          HB1       CYS  28  58.243   2.921  -1.636
  183    H    ARG  29           HN       ARG  29  58.237   6.083   0.883
  184    HA   ARG  29           HA       ARG  29  60.610   6.784  -0.661
  185   1HB   ARG  29          HB2       ARG  29  59.533   7.955   1.907
  186   2HB   ARG  29          HB1       ARG  29  60.946   8.536   1.039
  187   1HG   ARG  29          HG2       ARG  29  58.512   8.368  -0.584
  188   2HG   ARG  29          HG1       ARG  29  58.433   9.517   0.753
  189   1HD   ARG  29          HD2       ARG  29  59.857  10.934  -0.235
  190   2HD   ARG  29          HD1       ARG  29  60.945   9.637  -0.727
  191    HE   ARG  29           HE       ARG  29  59.932   9.604  -2.781
  192   1HH1  ARG  29          HH11      ARG  29  57.948  11.427  -0.564
  193   2HH1  ARG  29          HH12      ARG  29  56.882  12.009  -1.799
  194   1HH2  ARG  29          HH21      ARG  29  58.531  10.366  -4.407
  195   2HH2  ARG  29          HH22      ARG  29  57.213  11.405  -3.981
  196    H    CYS  30           HN       CYS  30  62.095   5.260  -0.447
  197    HA   CYS  30           HA       CYS  30  62.681   4.161   2.198
  198   1HB   CYS  30          HB2       CYS  30  64.340   3.184  -0.011
  199   2HB   CYS  30          HB1       CYS  30  63.422   2.292   1.188
  200    H    HIS  31           HN       HIS  31  64.671   4.354   3.194
  201    HA   HIS  31           HA       HIS  31  66.027   6.752   2.949
  202   1HB   HIS  31          HB2       HIS  31  67.251   4.206   4.013
  203   2HB   HIS  31          HB1       HIS  31  67.660   5.857   4.462
  204    HD1  HIS  31           HD1      HIS  31  64.697   6.845   4.872
  205    HD2  HIS  31           HD2      HIS  31  66.341   3.381   6.476
  206    HE1  HIS  31           HE1      HIS  31  63.299   6.309   6.893
  207    HE2  HIS  31           HE2      HIS  31  64.266   4.168   7.804
  208    HA   PRO  32           HA       PRO  32  68.740   6.416  -0.516
  209   1HB   PRO  32          HB2       PRO  32  70.824   7.756   1.080
  210   2HB   PRO  32          HB1       PRO  32  70.029   8.289  -0.404
  211   1HG   PRO  32          HG2       PRO  32  69.513   9.448   1.960
  212   2HG   PRO  32          HG1       PRO  32  68.256   9.239   0.727
  213   1HD   PRO  32          HD2       PRO  32  68.752   7.657   3.217
  214   2HD   PRO  32          HD1       PRO  32  67.214   8.173   2.493
  215    H    GLY  33           HN       GLY  33  69.582   4.606  -1.075
  216   1HA   GLY  33          HA2       GLY  33  71.595   3.340  -1.238
  217   2HA   GLY  33          HA1       GLY  33  71.843   3.557   0.484
  218    H    PHE  34           HN       PHE  34  68.763   2.703  -0.956
  219    HA   PHE  34           HA       PHE  34  69.082  -0.063  -0.035
  220   1HB   PHE  34          HB2       PHE  34  66.826   1.810   0.691
  221   2HB   PHE  34          HB1       PHE  34  66.729   0.065   0.887
  222    HD1  PHE  34           HD1      PHE  34  69.684  -0.257   1.751
  223    HD2  PHE  34           HD2      PHE  34  66.555   2.349   2.990
  224    HE1  PHE  34           HE1      PHE  34  70.734  -0.054   3.963
  225    HE2  PHE  34           HE2      PHE  34  67.603   2.554   5.206
  226    HZ   PHE  34           HZ       PHE  34  69.695   1.353   5.695
  227    H    GLU  35           HN       GLU  35  67.860  -1.596  -1.146
  228    HA   GLU  35           HA       GLU  35  66.153  -0.668  -3.320
  229   1HB   GLU  35          HB2       GLU  35  67.291  -2.070  -4.973
  230   2HB   GLU  35          HB1       GLU  35  68.377  -0.882  -4.307
  231   1HG   GLU  35          HG2       GLU  35  69.282  -2.614  -2.786
  232   2HG   GLU  35          HG1       GLU  35  68.283  -3.797  -3.627
  233    H    GLY  36           HN       GLY  36  66.502  -3.544  -4.380
  234   1HA   GLY  36          HA2       GLY  36  65.793  -5.723  -3.638
  235   2HA   GLY  36          HA1       GLY  36  64.948  -4.941  -2.300
  236    H    SER  37           HN       SER  37  63.123  -6.294  -3.026
  237    HA   SER  37           HA       SER  37  61.864  -5.750  -5.532
  238   1HB   SER  37          HB2       SER  37  60.265  -6.691  -3.186
  239   2HB   SER  37          HB1       SER  37  60.228  -7.244  -4.860
  240    HG   SER  37           HG       SER  37  62.372  -8.152  -4.390
  241    H    ALA  38           HN       ALA  38  62.218  -4.179  -2.595
  242    HA   ALA  38           HA       ALA  38  60.394  -2.045  -3.360
  243   1HB   ALA  38          HB1       ALA  38  60.008  -3.872  -1.145
  244   2HB   ALA  38          HB2       ALA  38  58.911  -2.662  -1.811
  245   3HB   ALA  38          HB3       ALA  38  60.119  -2.195  -0.614
  246    H    CYS  39           HN       CYS  39  62.025  -2.766  -0.324
  247    HA   CYS  39           HA       CYS  39  64.213  -1.053  -0.907
  248   1HB   CYS  39          HB2       CYS  39  62.776  -0.173   1.534
  249   2HB   CYS  39          HB1       CYS  39  63.820   0.735   0.455
  250    H    GLN  40           HN       GLN  40  63.665  -3.823  -0.042
  251    HA   GLN  40           HA       GLN  40  64.371  -4.127   2.686
  252   1HB   GLN  40          HB2       GLN  40  64.537  -6.465   2.218
  253   2HB   GLN  40          HB1       GLN  40  63.185  -5.824   1.293
  254   1HG   GLN  40          HG2       GLN  40  65.325  -5.593  -0.435
  255   2HG   GLN  40          HG1       GLN  40  65.599  -7.127   0.382
  256   1HE2  GLN  40          HE21      GLN  40  62.648  -5.455  -0.585
  257   2HE2  GLN  40          HE22      GLN  40  62.027  -6.744  -1.548
  258    H    ALA  41           HN       ALA  41  66.249  -3.868  -0.251
  259    HA   ALA  41           HA       ALA  41  68.693  -4.723   1.036
  260   1HB   ALA  41          HB1       ALA  41  69.588  -3.778  -1.270
  261   2HB   ALA  41          HB2       ALA  41  67.887  -3.940  -1.708
  262   3HB   ALA  41          HB3       ALA  41  68.791  -5.347  -1.152
  Start of MODEL    7
    1   1H    GLU   1          HT1       GLU   1  47.976  15.141  -0.648
    2   2H    GLU   1          HT2       GLU   1  46.956  15.486   0.688
    3   3H    GLU   1          HT3       GLU   1  46.309  15.448  -0.901
    4    HA   GLU   1           HA       GLU   1  47.235  13.240   0.783
    5   1HB   GLU   1          HB2       GLU   1  44.781  14.379   0.327
    6   2HB   GLU   1          HB1       GLU   1  44.793  13.074  -0.850
    7   1HG   GLU   1          HG2       GLU   1  45.519  11.589   1.119
    8   2HG   GLU   1          HG1       GLU   1  44.956  12.918   2.131
    9    H    CYS   2           HN       CYS   2  46.691  11.091  -0.428
   10    HA   CYS   2           HA       CYS   2  47.606  11.213  -3.213
   11   1HB   CYS   2          HB2       CYS   2  49.341  10.573  -1.220
   12   2HB   CYS   2          HB1       CYS   2  48.714   8.978  -1.632
   13    H    ASP   3           HN       ASP   3  47.755   8.473  -3.694
   14    HA   ASP   3           HA       ASP   3  45.626   6.988  -2.684
   15   1HB   ASP   3          HB2       ASP   3  44.207   8.677  -3.669
   16   2HB   ASP   3          HB1       ASP   3  44.950   8.404  -5.240
   17    H    THR   4           HN       THR   4  48.233   7.197  -4.681
   18    HA   THR   4           HA       THR   4  47.643   4.811  -6.238
   19    HB   THR   4           HB       THR   4  50.356   5.231  -6.493
   20    HG1  THR   4           HG1      THR   4  49.165   7.795  -6.334
   21   1HG2  THR   4          HG21      THR   4  49.633   5.228  -8.582
   22   2HG2  THR   4          HG22      THR   4  49.291   6.947  -8.388
   23   3HG2  THR   4          HG23      THR   4  48.023   5.756  -8.097
   24    H    ILE   5           HN       ILE   5  47.151   4.111  -3.888
   25    HA   ILE   5           HA       ILE   5  49.409   3.262  -2.357
   26    HB   ILE   5           HB       ILE   5  48.021   3.108  -0.582
   27   1HG1  ILE   5          HG12      ILE   5  46.751   1.143  -1.442
   28   2HG1  ILE   5          HG11      ILE   5  45.734   2.278  -0.571
   29   1HG2  ILE   5          HG21      ILE   5  47.595   5.291  -1.792
   30   2HG2  ILE   5          HG22      ILE   5  46.404   4.814  -0.583
   31   3HG2  ILE   5          HG23      ILE   5  46.055   4.595  -2.297
   32   1HD1  ILE   5          HD11      ILE   5  45.954   2.450  -3.539
   33   2HD1  ILE   5          HD12      ILE   5  44.654   2.992  -2.478
   34   3HD1  ILE   5          HD13      ILE   5  44.884   1.270  -2.783
   35    H    ASN   6           HN       ASN   6  50.423   1.834  -3.490
   36    HA   ASN   6           HA       ASN   6  49.310  -0.820  -3.603
   37   1HB   ASN   6          HB2       ASN   6  49.033   0.900  -5.755
   38   2HB   ASN   6          HB1       ASN   6  50.446  -0.063  -6.184
   39   1HD2  ASN   6          HD21      ASN   6  47.145  -0.317  -4.990
   40   2HD2  ASN   6          HD22      ASN   6  46.767  -1.805  -5.785
   41    H    CYS   7           HN       CYS   7  51.266   0.415  -2.095
   42    HA   CYS   7           HA       CYS   7  53.855   0.539  -2.648
   43   1HB   CYS   7          HB2       CYS   7  52.894  -1.133  -0.332
   44   2HB   CYS   7          HB1       CYS   7  54.350  -0.150  -0.409
   45    H    GLU   8           HN       GLU   8  55.650  -0.759  -2.836
   46    HA   GLU   8           HA       GLU   8  55.157  -3.426  -3.920
   47   1HB   GLU   8          HB2       GLU   8  57.857  -2.134  -3.701
   48   2HB   GLU   8          HB1       GLU   8  57.302  -3.315  -4.872
   49   1HG   GLU   8          HG2       GLU   8  56.883  -1.683  -6.300
   50   2HG   GLU   8          HG1       GLU   8  55.684  -1.027  -5.187
   51    H    ARG   9           HN       ARG   9  55.360  -5.163  -2.636
   52    HA   ARG   9           HA       ARG   9  56.699  -4.798  -0.077
   53   1HB   ARG   9          HB2       ARG   9  55.046  -7.149  -0.967
   54   2HB   ARG   9          HB1       ARG   9  55.616  -6.813   0.663
   55   1HG   ARG   9          HG2       ARG   9  53.968  -5.351   1.077
   56   2HG   ARG   9          HG1       ARG   9  54.018  -4.674  -0.553
   57   1HD   ARG   9          HD2       ARG   9  52.717  -7.263   0.283
   58   2HD   ARG   9          HD1       ARG   9  51.893  -5.774  -0.177
   59    HE   ARG   9           HE       ARG   9  53.596  -6.616  -2.264
   60   1HH1  ARG   9          HH11      ARG   9  50.583  -7.454  -0.714
   61   2HH1  ARG   9          HH12      ARG   9  49.912  -8.185  -2.133
   62   1HH2  ARG   9          HH21      ARG   9  52.714  -7.576  -4.132
   63   2HH2  ARG   9          HH22      ARG   9  51.121  -8.254  -4.074
   64    H    TYR  10           HN       TYR  10  58.482  -5.663   0.505
   65    HA   TYR  10           HA       TYR  10  60.017  -7.152  -1.424
   66   1HB   TYR  10          HB2       TYR  10  61.899  -6.651  -0.112
   67   2HB   TYR  10          HB1       TYR  10  60.873  -5.242   0.045
   68    HD1  TYR  10           HD1      TYR  10  59.055  -5.655   2.058
   69    HD2  TYR  10           HD2      TYR  10  62.981  -7.248   1.791
   70    HE1  TYR  10           HE1      TYR  10  59.125  -5.841   4.482
   71    HE2  TYR  10           HE2      TYR  10  63.071  -7.432   4.235
   72    HH   TYR  10           HH       TYR  10  61.423  -5.924   6.268
   73    H    ASN  11           HN       ASN  11  58.459  -7.684   1.561
   74    HA   ASN  11           HA       ASN  11  58.599 -10.543   1.228
   75   1HB   ASN  11          HB2       ASN  11  60.525  -9.270   2.865
   76   2HB   ASN  11          HB1       ASN  11  59.393 -10.071   3.950
   77   1HD2  ASN  11          HD21      ASN  11  62.248 -10.532   2.797
   78   2HD2  ASN  11          HD22      ASN  11  62.242 -12.226   2.456
   79    H    GLY  12           HN       GLY  12  58.116  -8.604   4.172
   80   1HA   GLY  12          HA2       GLY  12  55.229  -9.029   3.982
   81   2HA   GLY  12          HA1       GLY  12  56.056  -9.757   5.348
   82    H    GLN  13           HN       GLN  13  57.378  -6.778   4.277
   83    HA   GLN  13           HA       GLN  13  55.978  -5.376   6.471
   84   1HB   GLN  13          HB2       GLN  13  58.727  -4.604   5.517
   85   2HB   GLN  13          HB1       GLN  13  57.936  -4.214   7.044
   86   1HG   GLN  13          HG2       GLN  13  58.945  -6.926   6.218
   87   2HG   GLN  13          HG1       GLN  13  59.704  -5.835   7.376
   88   1HE2  GLN  13          HE21      GLN  13  57.720  -8.455   7.038
   89   2HE2  GLN  13          HE22      GLN  13  56.948  -8.426   8.584
   90    H    VAL  14           HN       VAL  14  56.821  -5.428   3.169
   91    HA   VAL  14           HA       VAL  14  56.199  -4.131   1.430
   92    HB   VAL  14           HB       VAL  14  54.796  -2.125   3.124
   93   1HG1  VAL  14          HG11      VAL  14  54.282  -1.536   1.041
   94   2HG1  VAL  14          HG12      VAL  14  53.146  -2.883   1.084
   95   3HG1  VAL  14          HG13      VAL  14  54.747  -3.101   0.378
   96   1HG2  VAL  14          HG21      VAL  14  52.800  -3.894   2.784
   97   2HG2  VAL  14          HG22      VAL  14  53.768  -3.798   4.256
   98   3HG2  VAL  14          HG23      VAL  14  54.147  -5.007   3.029
   99    H    CYS  15           HN       CYS  15  58.265  -3.466   0.998
  100    HA   CYS  15           HA       CYS  15  59.469  -1.556   0.307
  101   1HB   CYS  15          HB2       CYS  15  57.779  -0.115   1.594
  102   2HB   CYS  15          HB1       CYS  15  58.861  -0.292   2.967
  103    H    GLY  16           HN       GLY  16  60.249  -3.961   1.670
  104   1HA   GLY  16          HA2       GLY  16  62.094  -4.834   2.724
  105   2HA   GLY  16          HA1       GLY  16  62.910  -3.376   2.233
  106    H    GLY  17           HN       GLY  17  60.199  -3.756   4.482
  107   1HA   GLY  17          HA2       GLY  17  60.105  -3.520   6.778
  108   2HA   GLY  17          HA1       GLY  17  61.858  -3.462   6.810
  109    HA   PRO  18           HA       PRO  18  59.654   0.853   7.200
  110   1HB   PRO  18          HB2       PRO  18  59.961   0.486  10.114
  111   2HB   PRO  18          HB1       PRO  18  58.591   1.124   9.200
  112   1HG   PRO  18          HG2       PRO  18  58.497  -1.294  10.347
  113   2HG   PRO  18          HG1       PRO  18  57.718  -0.976   8.786
  114   1HD   PRO  18          HD2       PRO  18  60.311  -2.357   9.367
  115   2HD   PRO  18          HD1       PRO  18  59.056  -2.766   8.179
  116    H    GLY  19           HN       GLY  19  62.075  -0.618   9.366
  117   1HA   GLY  19          HA2       GLY  19  63.588   1.592   9.994
  118   2HA   GLY  19          HA1       GLY  19  64.256  -0.022   9.797
  119    H    ARG  20           HN       ARG  20  63.510  -0.172   6.973
  120    HA   ARG  20           HA       ARG  20  65.733   1.401   5.919
  121   1HB   ARG  20          HB2       ARG  20  64.194  -0.958   4.837
  122   2HB   ARG  20          HB1       ARG  20  65.382  -0.080   3.893
  123   1HG   ARG  20          HG2       ARG  20  66.375  -2.051   4.818
  124   2HG   ARG  20          HG1       ARG  20  67.093  -0.621   5.557
  125   1HD   ARG  20          HD2       ARG  20  64.752  -1.696   6.959
  126   2HD   ARG  20          HD1       ARG  20  66.149  -2.765   6.914
  127    HE   ARG  20           HE       ARG  20  66.719  -0.048   7.702
  128   1HH1  ARG  20          HH11      ARG  20  65.887  -3.263   8.781
  129   2HH1  ARG  20          HH12      ARG  20  66.504  -3.019  10.380
  130   1HH2  ARG  20          HH21      ARG  20  67.531   0.271   9.804
  131   2HH2  ARG  20          HH22      ARG  20  67.437  -1.014  10.961
  132    H    GLY  21           HN       GLY  21  62.265   1.042   5.667
  133   1HA   GLY  21          HA2       GLY  21  61.890   3.598   4.574
  134   2HA   GLY  21          HA1       GLY  21  61.847   2.432   3.262
  135    H    LEU  22           HN       LEU  22  59.705   4.117   4.091
  136    HA   LEU  22           HA       LEU  22  57.786   2.093   4.968
  137   1HB   LEU  22          HB2       LEU  22  56.508   4.401   5.600
  138   2HB   LEU  22          HB1       LEU  22  57.410   3.409   6.732
  139    HG   LEU  22           HG       LEU  22  58.996   5.320   5.227
  140   1HD1  LEU  22          HD11      LEU  22  57.341   6.453   7.442
  141   2HD1  LEU  22          HD12      LEU  22  56.747   6.463   5.781
  142   3HD1  LEU  22          HD13      LEU  22  58.248   7.296   6.187
  143   1HD2  LEU  22          HD21      LEU  22  59.568   5.736   7.821
  144   2HD2  LEU  22          HD22      LEU  22  60.286   4.447   6.855
  145   3HD2  LEU  22          HD23      LEU  22  58.909   4.101   7.901
  146    H    CYS  23           HN       CYS  23  55.443   3.504   4.473
  147    HA   CYS  23           HA       CYS  23  55.539   4.325   1.677
  148   1HB   CYS  23          HB2       CYS  23  55.130   1.775   1.943
  149   2HB   CYS  23          HB1       CYS  23  53.533   2.249   2.510
  150    H    PHE  24           HN       PHE  24  53.820   5.675   1.032
  151    HA   PHE  24           HA       PHE  24  51.601   6.039   2.847
  152   1HB   PHE  24          HB2       PHE  24  52.284   8.672   2.793
  153   2HB   PHE  24          HB1       PHE  24  52.563   7.587   4.142
  154    HD1  PHE  24           HD1      PHE  24  54.340   8.334   0.906
  155    HD2  PHE  24           HD2      PHE  24  54.574   7.874   5.133
  156    HE1  PHE  24           HE1      PHE  24  56.729   8.848   0.839
  157    HE2  PHE  24           HE2      PHE  24  56.967   8.383   5.065
  158    HZ   PHE  24           HZ       PHE  24  58.047   8.877   2.922
  159    H    CYS  25           HN       CYS  25  52.570   8.823   1.011
  160    HA   CYS  25           HA       CYS  25  50.217   8.894  -0.463
  161   1HB   CYS  25          HB2       CYS  25  51.332  10.934  -0.368
  162   2HB   CYS  25          HB1       CYS  25  52.896  10.212  -0.704
  163    H    GLY  26           HN       GLY  26  49.983   6.699  -1.129
  164   1HA   GLY  26          HA2       GLY  26  50.262   4.903  -2.517
  165   2HA   GLY  26          HA1       GLY  26  50.313   6.156  -3.743
  166    H    LYS  27           HN       LYS  27  52.878   5.923  -1.338
  167    HA   LYS  27           HA       LYS  27  54.521   4.361  -3.087
  168   1HB   LYS  27          HB2       LYS  27  54.457   7.070  -3.571
  169   2HB   LYS  27          HB1       LYS  27  55.907   6.866  -2.599
  170   1HG   LYS  27          HG2       LYS  27  56.824   5.315  -4.168
  171   2HG   LYS  27          HG1       LYS  27  55.314   5.270  -5.079
  172   1HD   LYS  27          HD2       LYS  27  56.708   6.699  -6.311
  173   2HD   LYS  27          HD1       LYS  27  55.645   7.782  -5.411
  174   1HE   LYS  27          HE2       LYS  27  57.324   8.564  -4.104
  175   2HE   LYS  27          HE1       LYS  27  58.173   7.019  -4.087
  176   1HZ   LYS  27          HZ1       LYS  27  58.413   9.247  -5.938
  177   2HZ   LYS  27          HZ2       LYS  27  58.484   7.705  -6.628
  178   3HZ   LYS  27          HZ3       LYS  27  59.582   8.140  -5.418
  179    H    CYS  28           HN       CYS  28  56.301   3.479  -2.255
  180    HA   CYS  28           HA       CYS  28  56.578   3.690   0.620
  181   1HB   CYS  28          HB2       CYS  28  57.018   1.501   0.495
  182   2HB   CYS  28          HB1       CYS  28  56.841   1.583  -1.249
  183    H    ARG  29           HN       ARG  29  57.819   5.219   1.372
  184    HA   ARG  29           HA       ARG  29  60.038   6.242  -0.204
  185   1HB   ARG  29          HB2       ARG  29  58.168   7.639   0.899
  186   2HB   ARG  29          HB1       ARG  29  59.063   7.385   2.390
  187   1HG   ARG  29          HG2       ARG  29  60.922   8.561   1.586
  188   2HG   ARG  29          HG1       ARG  29  60.323   8.529  -0.069
  189   1HD   ARG  29          HD2       ARG  29  59.677  10.632   0.413
  190   2HD   ARG  29          HD1       ARG  29  58.298   9.814   1.140
  191    HE   ARG  29           HE       ARG  29  58.991  10.610   3.151
  192   1HH1  ARG  29          HH11      ARG  29  61.764  10.462   1.038
  193   2HH1  ARG  29          HH12      ARG  29  62.840  11.170   2.196
  194   1HH2  ARG  29          HH21      ARG  29  60.404  11.543   4.675
  195   2HH2  ARG  29          HH22      ARG  29  62.068  11.783   4.261
  196    H    CYS  30           HN       CYS  30  61.762   4.982   0.100
  197    HA   CYS  30           HA       CYS  30  62.545   4.225   2.812
  198   1HB   CYS  30          HB2       CYS  30  64.409   2.980   1.521
  199   2HB   CYS  30          HB1       CYS  30  62.770   2.354   1.436
  200    H    HIS  31           HN       HIS  31  64.881   4.387   3.363
  201    HA   HIS  31           HA       HIS  31  65.732   7.102   3.072
  202   1HB   HIS  31          HB2       HIS  31  67.473   4.926   4.194
  203   2HB   HIS  31          HB1       HIS  31  67.368   6.615   4.674
  204    HD1  HIS  31           HD1      HIS  31  64.318   6.788   5.156
  205    HD2  HIS  31           HD2      HIS  31  66.741   3.702   6.526
  206    HE1  HIS  31           HE1      HIS  31  63.090   5.783   7.107
  207    HE2  HIS  31           HE2      HIS  31  64.526   3.852   7.850
  208    HA   PRO  32           HA       PRO  32  68.459   6.929  -0.370
  209   1HB   PRO  32          HB2       PRO  32  70.588   8.201   1.215
  210   2HB   PRO  32          HB1       PRO  32  69.760   8.792  -0.228
  211   1HG   PRO  32          HG2       PRO  32  69.299   9.869   2.185
  212   2HG   PRO  32          HG1       PRO  32  68.009   9.695   0.982
  213   1HD   PRO  32          HD2       PRO  32  68.578   8.031   3.402
  214   2HD   PRO  32          HD1       PRO  32  67.020   8.566   2.739
  215    H    GLY  33           HN       GLY  33  69.163   5.054  -0.931
  216   1HA   GLY  33          HA2       GLY  33  71.246   3.839  -1.206
  217   2HA   GLY  33          HA1       GLY  33  71.458   3.925   0.533
  218    H    PHE  34           HN       PHE  34  68.296   3.289  -0.746
  219    HA   PHE  34           HA       PHE  34  68.612   0.439  -0.080
  220   1HB   PHE  34          HB2       PHE  34  66.399   2.332   0.684
  221   2HB   PHE  34          HB1       PHE  34  66.176   0.587   0.688
  222    HD1  PHE  34           HD1      PHE  34  66.835   3.258   2.728
  223    HD2  PHE  34           HD2      PHE  34  68.279  -0.657   1.898
  224    HE1  PHE  34           HE1      PHE  34  67.811   3.144   4.983
  225    HE2  PHE  34           HE2      PHE  34  69.256  -0.780   4.153
  226    HZ   PHE  34           HZ       PHE  34  69.023   1.124   5.698
  227    H    GLU  35           HN       GLU  35  67.357  -1.039  -1.287
  228    HA   GLU  35           HA       GLU  35  65.650  -0.057  -3.392
  229   1HB   GLU  35          HB2       GLU  35  68.416  -1.009  -3.912
  230   2HB   GLU  35          HB1       GLU  35  67.169  -1.543  -5.028
  231   1HG   GLU  35          HG2       GLU  35  66.742   1.189  -4.701
  232   2HG   GLU  35          HG1       GLU  35  68.490   0.997  -4.823
  233    H    GLY  36           HN       GLY  36  67.367  -3.081  -3.844
  234   1HA   GLY  36          HA2       GLY  36  66.671  -5.272  -3.643
  235   2HA   GLY  36          HA1       GLY  36  65.572  -4.724  -2.376
  236    H    SER  37           HN       SER  37  63.808  -5.901  -3.004
  237    HA   SER  37           HA       SER  37  62.783  -5.580  -5.721
  238   1HB   SER  37          HB2       SER  37  62.657  -7.833  -4.763
  239   2HB   SER  37          HB1       SER  37  61.765  -7.215  -3.373
  240    HG   SER  37           HG       SER  37  60.035  -7.480  -4.514
  241    H    ALA  38           HN       ALA  38  62.839  -3.977  -2.916
  242    HA   ALA  38           HA       ALA  38  60.504  -2.368  -3.530
  243   1HB   ALA  38          HB1       ALA  38  59.645  -2.457  -1.314
  244   2HB   ALA  38          HB2       ALA  38  60.998  -3.445  -0.769
  245   3HB   ALA  38          HB3       ALA  38  59.812  -4.114  -1.885
  246    H    CYS  39           HN       CYS  39  62.471  -2.633  -0.607
  247    HA   CYS  39           HA       CYS  39  64.169  -0.515  -1.393
  248   1HB   CYS  39          HB2       CYS  39  61.934  -0.006   0.491
  249   2HB   CYS  39          HB1       CYS  39  63.470   0.803   0.767
  250    H    GLN  40           HN       GLN  40  64.671  -3.157  -0.611
  251    HA   GLN  40           HA       GLN  40  65.784  -2.887   2.101
  252   1HB   GLN  40          HB2       GLN  40  65.886  -5.308   2.158
  253   2HB   GLN  40          HB1       GLN  40  64.268  -4.792   1.700
  254   1HG   GLN  40          HG2       GLN  40  66.106  -5.287  -0.537
  255   2HG   GLN  40          HG1       GLN  40  65.682  -6.701   0.412
  256   1HE2  GLN  40          HE21      GLN  40  64.393  -7.685  -1.072
  257   2HE2  GLN  40          HE22      GLN  40  62.899  -7.020  -1.636
  258    H    ALA  41           HN       ALA  41  66.683  -3.599  -1.217
  259    HA   ALA  41           HA       ALA  41  69.459  -4.043  -0.416
  260   1HB   ALA  41          HB1       ALA  41  69.680  -5.334  -2.242
  261   2HB   ALA  41          HB2       ALA  41  68.731  -4.250  -3.256
  262   3HB   ALA  41          HB3       ALA  41  67.920  -5.380  -2.172
  Start of MODEL    8
    1   1H    GLU   1          HT1       GLU   1  46.384  10.722   3.077
    2   2H    GLU   1          HT2       GLU   1  47.122  11.889   2.057
    3   3H    GLU   1          HT3       GLU   1  47.850  10.349   2.271
    4    HA   GLU   1           HA       GLU   1  46.228   9.272   1.081
    5   1HB   GLU   1          HB2       GLU   1  44.465  10.811   2.249
    6   2HB   GLU   1          HB1       GLU   1  44.631  11.798   0.804
    7   1HG   GLU   1          HG2       GLU   1  43.862  10.044  -0.591
    8   2HG   GLU   1          HG1       GLU   1  43.964   8.870   0.720
    9    H    CYS   2           HN       CYS   2  46.437   9.073  -1.110
   10    HA   CYS   2           HA       CYS   2  47.199  11.400  -2.689
   11   1HB   CYS   2          HB2       CYS   2  49.326  10.486  -1.861
   12   2HB   CYS   2          HB1       CYS   2  48.923   8.912  -2.535
   13    H    ASP   3           HN       ASP   3  47.085   7.840  -2.993
   14    HA   ASP   3           HA       ASP   3  44.859   7.901  -4.767
   15   1HB   ASP   3          HB2       ASP   3  45.960   7.232  -6.805
   16   2HB   ASP   3          HB1       ASP   3  46.698   8.727  -6.241
   17    H    THR   4           HN       THR   4  45.444   5.493  -6.178
   18    HA   THR   4           HA       THR   4  45.109   3.588  -4.013
   19    HB   THR   4           HB       THR   4  44.998   2.053  -6.225
   20    HG1  THR   4           HG1      THR   4  44.322   3.175  -7.958
   21   1HG2  THR   4          HG21      THR   4  42.867   1.858  -5.674
   22   2HG2  THR   4          HG22      THR   4  42.533   3.530  -6.127
   23   3HG2  THR   4          HG23      THR   4  43.116   3.155  -4.505
   24    H    ILE   5           HN       ILE   5  47.196   3.584  -3.130
   25    HA   ILE   5           HA       ILE   5  49.025   1.781  -4.417
   26    HB   ILE   5           HB       ILE   5  50.965   3.190  -4.372
   27   1HG1  ILE   5          HG12      ILE   5  50.808   4.776  -2.695
   28   2HG1  ILE   5          HG11      ILE   5  50.467   5.761  -4.106
   29   1HG2  ILE   5          HG21      ILE   5  50.480   4.654  -6.217
   30   2HG2  ILE   5          HG22      ILE   5  48.763   4.652  -5.815
   31   3HG2  ILE   5          HG23      ILE   5  49.536   3.175  -6.388
   32   1HD1  ILE   5          HD11      ILE   5  48.490   4.677  -2.131
   33   2HD1  ILE   5          HD12      ILE   5  48.049   5.463  -3.644
   34   3HD1  ILE   5          HD13      ILE   5  48.931   6.360  -2.411
   35    H    ASN   6           HN       ASN   6  48.257   0.662  -2.609
   36    HA   ASN   6           HA       ASN   6  48.854   1.647   0.017
   37   1HB   ASN   6          HB2       ASN   6  47.712  -0.322   0.784
   38   2HB   ASN   6          HB1       ASN   6  46.805   0.397  -0.542
   39   1HD2  ASN   6          HD21      ASN   6  46.895  -0.578  -2.598
   40   2HD2  ASN   6          HD22      ASN   6  47.266  -2.256  -2.769
   41    H    CYS   7           HN       CYS   7  51.129   1.838  -0.463
   42    HA   CYS   7           HA       CYS   7  53.299   1.270  -0.349
   43   1HB   CYS   7          HB2       CYS   7  52.094  -0.620   1.626
   44   2HB   CYS   7          HB1       CYS   7  53.793  -0.169   1.587
   45    H    GLU   8           HN       GLU   8  54.943  -0.117  -0.936
   46    HA   GLU   8           HA       GLU   8  54.117  -2.389  -2.589
   47   1HB   GLU   8          HB2       GLU   8  56.897  -1.232  -2.322
   48   2HB   GLU   8          HB1       GLU   8  56.275  -2.244  -3.616
   49   1HG   GLU   8          HG2       GLU   8  55.367   0.567  -3.036
   50   2HG   GLU   8          HG1       GLU   8  56.530   0.107  -4.278
   51    H    ARG   9           HN       ARG   9  54.540  -4.484  -1.980
   52    HA   ARG   9           HA       ARG   9  56.025  -4.795   0.521
   53   1HB   ARG   9          HB2       ARG   9  54.249  -6.806  -0.820
   54   2HB   ARG   9          HB1       ARG   9  55.008  -6.977   0.755
   55   1HG   ARG   9          HG2       ARG   9  53.458  -5.714   1.774
   56   2HG   ARG   9          HG1       ARG   9  53.341  -4.582   0.428
   57   1HD   ARG   9          HD2       ARG   9  51.303  -6.066   0.994
   58   2HD   ARG   9          HD1       ARG   9  51.776  -5.872  -0.693
   59    HE   ARG   9           HE       ARG   9  52.174  -8.113  -0.771
   60   1HH1  ARG   9          HH11      ARG   9  52.286  -7.107   2.569
   61   2HH1  ARG   9          HH12      ARG   9  52.477  -8.716   3.177
   62   1HH2  ARG   9          HH21      ARG   9  52.422 -10.229   0.026
   63   2HH2  ARG   9          HH22      ARG   9  52.554 -10.490   1.732
   64    H    TYR  10           HN       TYR  10  57.831  -5.758   0.684
   65    HA   TYR  10           HA       TYR  10  59.174  -6.665  -1.698
   66   1HB   TYR  10          HB2       TYR  10  61.193  -6.311  -0.511
   67   2HB   TYR  10          HB1       TYR  10  60.131  -5.004  -0.036
   68    HD1  TYR  10           HD1      TYR  10  62.523  -7.017   1.161
   69    HD2  TYR  10           HD2      TYR  10  58.518  -5.927   2.051
   70    HE1  TYR  10           HE1      TYR  10  62.904  -7.545   3.519
   71    HE2  TYR  10           HE2      TYR  10  58.874  -6.458   4.404
   72    HH   TYR  10           HH       TYR  10  61.391  -6.566   5.913
   73    H    ASN  11           HN       ASN  11  57.977  -7.894   1.238
   74    HA   ASN  11           HA       ASN  11  58.261 -10.610   0.317
   75   1HB   ASN  11          HB2       ASN  11  60.112  -9.484   2.269
   76   2HB   ASN  11          HB1       ASN  11  59.271 -10.903   2.886
   77   1HD2  ASN  11          HD21      ASN  11  61.995 -10.873   2.456
   78   2HD2  ASN  11          HD22      ASN  11  62.377 -11.946   1.157
   79    H    GLY  12           HN       GLY  12  58.025  -9.573   3.683
   80   1HA   GLY  12          HA2       GLY  12  55.249 -10.575   3.700
   81   2HA   GLY  12          HA1       GLY  12  56.339 -10.636   5.078
   82    H    GLN  13           HN       GLN  13  57.184  -7.797   4.129
   83    HA   GLN  13           HA       GLN  13  54.995  -6.395   5.497
   84   1HB   GLN  13          HB2       GLN  13  57.874  -5.501   5.239
   85   2HB   GLN  13          HB1       GLN  13  56.633  -4.803   6.271
   86   1HG   GLN  13          HG2       GLN  13  57.329  -6.107   7.900
   87   2HG   GLN  13          HG1       GLN  13  56.732  -7.489   6.994
   88   1HE2  GLN  13          HE21      GLN  13  58.151  -8.826   5.977
   89   2HE2  GLN  13          HE22      GLN  13  59.864  -8.721   6.172
   90    H    VAL  14           HN       VAL  14  55.925  -3.789   4.778
   91    HA   VAL  14           HA       VAL  14  55.525  -3.867   1.871
   92    HB   VAL  14           HB       VAL  14  54.158  -1.862   1.995
   93   1HG1  VAL  14          HG11      VAL  14  52.652  -3.532   1.971
   94   2HG1  VAL  14          HG12      VAL  14  52.330  -2.999   3.622
   95   3HG1  VAL  14          HG13      VAL  14  53.402  -4.368   3.330
   96   1HG2  VAL  14          HG21      VAL  14  54.969  -1.939   4.834
   97   2HG2  VAL  14          HG22      VAL  14  53.302  -1.462   4.510
   98   3HG2  VAL  14          HG23      VAL  14  54.634  -0.560   3.787
   99    H    CYS  15           HN       CYS  15  57.431  -3.375   1.083
  100    HA   CYS  15           HA       CYS  15  59.031  -1.916   0.324
  101   1HB   CYS  15          HB2       CYS  15  57.446  -0.156   1.574
  102   2HB   CYS  15          HB1       CYS  15  58.871  -0.065   2.603
  103    H    GLY  16           HN       GLY  16  59.670  -4.124   1.751
  104   1HA   GLY  16          HA2       GLY  16  61.339  -5.028   3.059
  105   2HA   GLY  16          HA1       GLY  16  62.263  -3.627   2.609
  106    H    GLY  17           HN       GLY  17  59.253  -3.466   4.361
  107   1HA   GLY  17          HA2       GLY  17  58.736  -2.978   6.545
  108   2HA   GLY  17          HA1       GLY  17  60.383  -3.386   6.984
  109    HA   PRO  18           HA       PRO  18  59.349   1.394   6.632
  110   1HB   PRO  18          HB2       PRO  18  58.933   1.204   9.562
  111   2HB   PRO  18          HB1       PRO  18  58.064   2.162   8.359
  112   1HG   PRO  18          HG2       PRO  18  56.965  -0.020   9.444
  113   2HG   PRO  18          HG1       PRO  18  56.700   0.400   7.743
  114   1HD   PRO  18          HD2       PRO  18  58.484  -1.682   8.928
  115   2HD   PRO  18          HD1       PRO  18  57.521  -1.735   7.438
  116    H    GLY  19           HN       GLY  19  60.945  -0.589   9.103
  117   1HA   GLY  19          HA2       GLY  19  62.770   1.183  10.151
  118   2HA   GLY  19          HA1       GLY  19  63.118  -0.519   9.878
  119    H    ARG  20           HN       ARG  20  62.715  -0.228   6.980
  120    HA   ARG  20           HA       ARG  20  65.330   0.940   6.328
  121   1HB   ARG  20          HB2       ARG  20  63.784  -0.693   4.370
  122   2HB   ARG  20          HB1       ARG  20  65.518  -0.588   4.614
  123   1HG   ARG  20          HG2       ARG  20  63.648  -1.949   6.536
  124   2HG   ARG  20          HG1       ARG  20  64.483  -2.777   5.221
  125   1HD   ARG  20          HD2       ARG  20  66.310  -1.174   6.783
  126   2HD   ARG  20          HD1       ARG  20  65.438  -2.322   7.797
  127    HE   ARG  20           HE       ARG  20  66.521  -3.469   5.391
  128   1HH1  ARG  20          HH11      ARG  20  67.156  -2.669   8.728
  129   2HH1  ARG  20          HH12      ARG  20  68.405  -3.854   8.906
  130   1HH2  ARG  20          HH21      ARG  20  68.164  -5.031   5.623
  131   2HH2  ARG  20          HH22      ARG  20  68.977  -5.196   7.142
  132    H    GLY  21           HN       GLY  21  61.918   0.982   5.507
  133   1HA   GLY  21          HA2       GLY  21  61.891   3.658   4.699
  134   2HA   GLY  21          HA1       GLY  21  62.075   2.670   3.259
  135    H    LEU  22           HN       LEU  22  59.856   4.394   3.997
  136    HA   LEU  22           HA       LEU  22  57.735   2.391   4.226
  137   1HB   LEU  22          HB2       LEU  22  56.294   4.433   4.826
  138   2HB   LEU  22          HB1       LEU  22  57.364   3.756   6.044
  139    HG   LEU  22           HG       LEU  22  58.582   5.780   4.378
  140   1HD1  LEU  22          HD11      LEU  22  57.476   7.674   5.510
  141   2HD1  LEU  22          HD12      LEU  22  56.328   6.542   6.226
  142   3HD1  LEU  22          HD13      LEU  22  56.372   6.765   4.477
  143   1HD2  LEU  22          HD21      LEU  22  59.616   6.436   6.393
  144   2HD2  LEU  22          HD22      LEU  22  59.490   4.679   6.475
  145   3HD2  LEU  22          HD23      LEU  22  58.353   5.688   7.371
  146    H    CYS  23           HN       CYS  23  55.602   3.302   3.185
  147    HA   CYS  23           HA       CYS  23  56.331   3.990   0.439
  148   1HB   CYS  23          HB2       CYS  23  54.465   2.867  -0.299
  149   2HB   CYS  23          HB1       CYS  23  54.837   1.952   1.155
  150    H    PHE  24           HN       PHE  24  55.055   5.575  -0.750
  151    HA   PHE  24           HA       PHE  24  53.636   7.464   0.986
  152   1HB   PHE  24          HB2       PHE  24  56.150   7.960  -0.487
  153   2HB   PHE  24          HB1       PHE  24  54.928   9.221  -0.606
  154    HD1  PHE  24           HD1      PHE  24  54.106  10.351   1.443
  155    HD2  PHE  24           HD2      PHE  24  57.317   7.570   1.458
  156    HE1  PHE  24           HE1      PHE  24  54.783  11.135   3.691
  157    HE2  PHE  24           HE2      PHE  24  58.008   8.339   3.697
  158    HZ   PHE  24           HZ       PHE  24  56.732  10.124   4.816
  159    H    CYS  25           HN       CYS  25  53.063   9.402  -0.534
  160    HA   CYS  25           HA       CYS  25  50.882   8.752  -2.023
  161   1HB   CYS  25          HB2       CYS  25  51.112  10.961  -1.346
  162   2HB   CYS  25          HB1       CYS  25  52.785  11.058  -1.894
  163    H    GLY  26           HN       GLY  26  51.670   6.848  -3.213
  164   1HA   GLY  26          HA2       GLY  26  51.935   5.944  -5.331
  165   2HA   GLY  26          HA1       GLY  26  52.313   7.546  -5.936
  166    H    LYS  27           HN       LYS  27  54.140   6.459  -3.198
  167    HA   LYS  27           HA       LYS  27  56.230   5.285  -4.796
  168   1HB   LYS  27          HB2       LYS  27  57.184   7.625  -3.239
  169   2HB   LYS  27          HB1       LYS  27  57.830   6.923  -4.713
  170   1HG   LYS  27          HG2       LYS  27  56.226   8.022  -6.055
  171   2HG   LYS  27          HG1       LYS  27  55.259   8.479  -4.651
  172   1HD   LYS  27          HD2       LYS  27  56.487  10.403  -5.437
  173   2HD   LYS  27          HD1       LYS  27  57.130   9.899  -3.873
  174   1HE   LYS  27          HE2       LYS  27  59.039  10.310  -5.136
  175   2HE   LYS  27          HE1       LYS  27  58.844   8.562  -5.247
  176   1HZ   LYS  27          HZ1       LYS  27  58.656  10.573  -7.311
  177   2HZ   LYS  27          HZ2       LYS  27  57.429   9.411  -7.362
  178   3HZ   LYS  27          HZ3       LYS  27  59.049   8.931  -7.431
  179    H    CYS  28           HN       CYS  28  58.371   5.600  -3.087
  180    HA   CYS  28           HA       CYS  28  57.531   4.688  -0.459
  181   1HB   CYS  28          HB2       CYS  28  58.274   2.838  -2.455
  182   2HB   CYS  28          HB1       CYS  28  59.663   2.965  -1.382
  183    H    ARG  29           HN       ARG  29  58.626   5.924   0.903
  184    HA   ARG  29           HA       ARG  29  61.089   7.192   0.081
  185   1HB   ARG  29          HB2       ARG  29  59.125   7.535   2.263
  186   2HB   ARG  29          HB1       ARG  29  60.787   7.943   2.669
  187   1HG   ARG  29          HG2       ARG  29  60.085   9.068   0.121
  188   2HG   ARG  29          HG1       ARG  29  58.907   9.537   1.350
  189   1HD   ARG  29          HD2       ARG  29  60.398  11.167   1.789
  190   2HD   ARG  29          HD1       ARG  29  61.205   9.902   2.716
  191    HE   ARG  29           HE       ARG  29  62.103   9.819   0.054
  192   1HH1  ARG  29          HH11      ARG  29  62.333  11.817   2.905
  193   2HH1  ARG  29          HH12      ARG  29  63.888  12.451   2.488
  194   1HH2  ARG  29          HH21      ARG  29  64.150  10.651  -0.497
  195   2HH2  ARG  29          HH22      ARG  29  64.921  11.790   0.557
  196    H    CYS  30           HN       CYS  30  62.521   5.471  -0.064
  197    HA   CYS  30           HA       CYS  30  63.044   3.825   2.255
  198   1HB   CYS  30          HB2       CYS  30  63.262   2.701   0.145
  199   2HB   CYS  30          HB1       CYS  30  64.306   3.959  -0.489
  200    H    HIS  31           HN       HIS  31  65.128   3.678   3.272
  201    HA   HIS  31           HA       HIS  31  66.314   6.262   3.724
  202   1HB   HIS  31          HB2       HIS  31  67.185   3.569   4.795
  203   2HB   HIS  31          HB1       HIS  31  67.648   5.149   5.421
  204    HD1  HIS  31           HD1      HIS  31  64.667   6.311   5.294
  205    HD2  HIS  31           HD2      HIS  31  65.877   2.772   7.106
  206    HE1  HIS  31           HE1      HIS  31  62.913   5.808   7.025
  207    HE2  HIS  31           HE2      HIS  31  63.711   3.707   8.166
  208    HA   PRO  32           HA       PRO  32  69.661   6.089   0.874
  209   1HB   PRO  32          HB2       PRO  32  71.504   6.953   3.001
  210   2HB   PRO  32          HB1       PRO  32  71.076   7.761   1.491
  211   1HG   PRO  32          HG2       PRO  32  70.199   8.669   3.857
  212   2HG   PRO  32          HG1       PRO  32  69.196   8.755   2.398
  213   1HD   PRO  32          HD2       PRO  32  69.054   6.835   4.686
  214   2HD   PRO  32          HD1       PRO  32  67.738   7.601   3.770
  215    H    GLY  33           HN       GLY  33  70.296   4.203   0.253
  216   1HA   GLY  33          HA2       GLY  33  72.264   2.792   0.259
  217   2HA   GLY  33          HA1       GLY  33  72.131   2.706   2.005
  218    H    PHE  34           HN       PHE  34  69.329   2.461  -0.094
  219    HA   PHE  34           HA       PHE  34  69.246  -0.438   0.402
  220   1HB   PHE  34          HB2       PHE  34  67.265   1.658   1.094
  221   2HB   PHE  34          HB1       PHE  34  66.621   0.129   0.519
  222    HD1  PHE  34           HD1      PHE  34  67.537  -1.996   1.726
  223    HD2  PHE  34           HD2      PHE  34  67.775   1.943   3.323
  224    HE1  PHE  34           HE1      PHE  34  67.819  -2.932   3.982
  225    HE2  PHE  34           HE2      PHE  34  68.057   1.012   5.582
  226    HZ   PHE  34           HZ       PHE  34  68.081  -1.427   5.914
  227    H    GLU  35           HN       GLU  35  67.673  -1.572  -1.041
  228    HA   GLU  35           HA       GLU  35  66.938  -0.203  -3.478
  229   1HB   GLU  35          HB2       GLU  35  69.182  -2.175  -3.351
  230   2HB   GLU  35          HB1       GLU  35  68.156  -2.142  -4.779
  231   1HG   GLU  35          HG2       GLU  35  68.766   0.515  -4.359
  232   2HG   GLU  35          HG1       GLU  35  70.260  -0.328  -3.953
  233    H    GLY  36           HN       GLY  36  67.564  -3.670  -3.341
  234   1HA   GLY  36          HA2       GLY  36  66.105  -5.439  -3.612
  235   2HA   GLY  36          HA1       GLY  36  65.204  -4.649  -2.318
  236    H    SER  37           HN       SER  37  63.221  -5.329  -3.212
  237    HA   SER  37           HA       SER  37  62.493  -4.224  -5.820
  238   1HB   SER  37          HB2       SER  37  60.573  -5.613  -5.745
  239   2HB   SER  37          HB1       SER  37  61.846  -6.603  -5.032
  240    HG   SER  37           HG       SER  37  59.616  -6.225  -3.940
  241    H    ALA  38           HN       ALA  38  62.814  -3.205  -2.801
  242    HA   ALA  38           HA       ALA  38  60.962  -1.013  -3.091
  243   1HB   ALA  38          HB1       ALA  38  60.633  -1.828  -0.432
  244   2HB   ALA  38          HB2       ALA  38  60.391  -3.266  -1.422
  245   3HB   ALA  38          HB3       ALA  38  59.423  -1.821  -1.713
  246    H    CYS  39           HN       CYS  39  62.489  -2.381  -0.211
  247    HA   CYS  39           HA       CYS  39  64.676  -0.572  -0.356
  248   1HB   CYS  39          HB2       CYS  39  62.931   0.908   0.513
  249   2HB   CYS  39          HB1       CYS  39  62.644  -0.208   1.839
  250    H    GLN  40           HN       GLN  40  64.483  -3.411  -0.206
  251    HA   GLN  40           HA       GLN  40  65.202  -4.067   2.542
  252   1HB   GLN  40          HB2       GLN  40  64.908  -6.317   2.003
  253   2HB   GLN  40          HB1       GLN  40  63.674  -5.488   1.069
  254   1HG   GLN  40          HG2       GLN  40  65.860  -5.588  -0.632
  255   2HG   GLN  40          HG1       GLN  40  65.863  -7.148   0.182
  256   1HE2  GLN  40          HE21      GLN  40  63.214  -5.035  -0.772
  257   2HE2  GLN  40          HE22      GLN  40  62.429  -6.187  -1.788
  258    H    ALA  41           HN       ALA  41  66.754  -3.864  -0.617
  259    HA   ALA  41           HA       ALA  41  69.238  -4.920   0.478
  260   1HB   ALA  41          HB1       ALA  41  69.868  -5.359  -1.641
  261   2HB   ALA  41          HB2       ALA  41  69.214  -3.846  -2.266
  262   3HB   ALA  41          HB3       ALA  41  68.139  -5.208  -1.956
  Start of MODEL    9
    1   1H    GLU   1          HT1       GLU   1  48.314  13.907  -5.755
    2   2H    GLU   1          HT2       GLU   1  49.264  15.300  -6.079
    3   3H    GLU   1          HT3       GLU   1  49.073  14.744  -4.466
    4    HA   GLU   1           HA       GLU   1  50.608  13.573  -6.667
    5   1HB   GLU   1          HB2       GLU   1  51.084  14.861  -4.050
    6   2HB   GLU   1          HB1       GLU   1  52.090  13.460  -4.392
    7   1HG   GLU   1          HG2       GLU   1  52.852  14.493  -6.458
    8   2HG   GLU   1          HG1       GLU   1  51.820  15.888  -6.151
    9    H    CYS   2           HN       CYS   2  48.545  12.819  -4.011
   10    HA   CYS   2           HA       CYS   2  49.594  10.091  -3.844
   11   1HB   CYS   2          HB2       CYS   2  47.308  10.757  -2.121
   12   2HB   CYS   2          HB1       CYS   2  48.846   9.999  -1.711
   13    H    ASP   3           HN       ASP   3  48.108   8.280  -3.929
   14    HA   ASP   3           HA       ASP   3  45.455   8.427  -4.849
   15   1HB   ASP   3          HB2       ASP   3  47.023   9.318  -6.819
   16   2HB   ASP   3          HB1       ASP   3  47.198   7.594  -7.124
   17    H    THR   4           HN       THR   4  46.152   6.121  -6.814
   18    HA   THR   4           HA       THR   4  46.099   4.041  -4.794
   19    HB   THR   4           HB       THR   4  46.312   2.785  -7.265
   20    HG1  THR   4           HG1      THR   4  44.659   5.058  -7.607
   21   1HG2  THR   4          HG21      THR   4  44.315   3.128  -5.287
   22   2HG2  THR   4          HG22      THR   4  44.461   1.861  -6.504
   23   3HG2  THR   4          HG23      THR   4  43.569   3.338  -6.872
   24    H    ILE   5           HN       ILE   5  48.092   4.212  -3.879
   25    HA   ILE   5           HA       ILE   5  50.310   3.050  -5.337
   26    HB   ILE   5           HB       ILE   5  51.744   5.009  -4.345
   27   1HG1  ILE   5          HG12      ILE   5  50.626   7.183  -4.441
   28   2HG1  ILE   5          HG11      ILE   5  49.110   6.407  -4.877
   29   1HG2  ILE   5          HG21      ILE   5  51.656   4.447  -6.706
   30   2HG2  ILE   5          HG22      ILE   5  51.587   6.198  -6.499
   31   3HG2  ILE   5          HG23      ILE   5  50.118   5.296  -6.868
   32   1HD1  ILE   5          HD11      ILE   5  49.065   7.051  -2.565
   33   2HD1  ILE   5          HD12      ILE   5  50.557   6.167  -2.251
   34   3HD1  ILE   5          HD13      ILE   5  49.087   5.294  -2.681
   35    H    ASN   6           HN       ASN   6  49.530   1.543  -3.686
   36    HA   ASN   6           HA       ASN   6  50.033   2.189  -0.937
   37   1HB   ASN   6          HB2       ASN   6  49.127   0.010  -0.474
   38   2HB   ASN   6          HB1       ASN   6  48.128   0.808  -1.685
   39   1HD2  ASN   6          HD21      ASN   6  48.263   0.140  -3.844
   40   2HD2  ASN   6          HD22      ASN   6  48.836  -1.435  -4.262
   41    H    CYS   7           HN       CYS   7  51.120   0.208   0.303
   42    HA   CYS   7           HA       CYS   7  53.880   0.371  -0.452
   43   1HB   CYS   7          HB2       CYS   7  53.011  -1.456   1.732
   44   2HB   CYS   7          HB1       CYS   7  54.387  -0.365   1.662
   45    H    GLU   8           HN       GLU   8  55.249  -1.167  -1.125
   46    HA   GLU   8           HA       GLU   8  54.077  -3.640  -2.177
   47   1HB   GLU   8          HB2       GLU   8  56.879  -2.591  -2.568
   48   2HB   GLU   8          HB1       GLU   8  56.095  -3.863  -3.483
   49   1HG   GLU   8          HG2       GLU   8  54.460  -1.599  -3.743
   50   2HG   GLU   8          HG1       GLU   8  56.118  -1.038  -3.948
   51    H    ARG   9           HN       ARG   9  54.363  -5.490  -1.062
   52    HA   ARG   9           HA       ARG   9  55.992  -5.391   1.307
   53   1HB   ARG   9          HB2       ARG   9  54.355  -7.687   0.286
   54   2HB   ARG   9          HB1       ARG   9  55.046  -7.529   1.891
   55   1HG   ARG   9          HG2       ARG   9  53.146  -6.599   2.543
   56   2HG   ARG   9          HG1       ARG   9  53.520  -5.224   1.503
   57   1HD   ARG   9          HD2       ARG   9  51.635  -5.720   0.419
   58   2HD   ARG   9          HD1       ARG   9  52.525  -7.080  -0.265
   59    HE   ARG   9           HE       ARG   9  51.547  -7.975   2.142
   60   1HH1  ARG   9          HH11      ARG   9  50.182  -6.678  -0.794
   61   2HH1  ARG   9          HH12      ARG   9  48.700  -7.561  -0.644
   62   1HH2  ARG   9          HH21      ARG   9  49.601  -9.138   2.343
   63   2HH2  ARG   9          HH22      ARG   9  48.369  -8.959   1.138
   64    H    TYR  10           HN       TYR  10  57.822  -6.250   1.699
   65    HA   TYR  10           HA       TYR  10  59.285  -7.507  -0.437
   66   1HB   TYR  10          HB2       TYR  10  61.262  -7.128   0.904
   67   2HB   TYR  10          HB1       TYR  10  60.299  -5.681   0.821
   68    HD1  TYR  10           HD1      TYR  10  58.572  -5.510   2.904
   69    HD2  TYR  10           HD2      TYR  10  62.271  -7.595   2.849
   70    HE1  TYR  10           HE1      TYR  10  58.800  -5.148   5.303
   71    HE2  TYR  10           HE2      TYR  10  62.492  -7.276   5.277
   72    HH   TYR  10           HH       TYR  10  61.693  -5.801   7.015
   73    H    ASN  11           HN       ASN  11  60.697  -8.747   2.210
   74    HA   ASN  11           HA       ASN  11  59.669 -11.355   1.607
   75   1HB   ASN  11          HB2       ASN  11  61.708 -10.644   3.712
   76   2HB   ASN  11          HB1       ASN  11  61.463 -12.206   2.936
   77   1HD2  ASN  11          HD21      ASN  11  62.529 -12.652   1.115
   78   2HD2  ASN  11          HD22      ASN  11  63.528 -11.535   0.254
   79    H    GLY  12           HN       GLY  12  57.506 -10.114   2.670
   80   1HA   GLY  12          HA2       GLY  12  56.068 -11.420   4.206
   81   2HA   GLY  12          HA1       GLY  12  57.370 -11.318   5.369
   82    H    GLN  13           HN       GLN  13  57.785  -8.392   4.743
   83    HA   GLN  13           HA       GLN  13  55.549  -7.473   6.398
   84   1HB   GLN  13          HB2       GLN  13  58.299  -6.331   5.940
   85   2HB   GLN  13          HB1       GLN  13  57.064  -5.518   6.885
   86   1HG   GLN  13          HG2       GLN  13  58.756  -6.794   8.212
   87   2HG   GLN  13          HG1       GLN  13  57.073  -7.192   8.541
   88   1HE2  GLN  13          HE21      GLN  13  59.483  -8.228   6.145
   89   2HE2  GLN  13          HE22      GLN  13  59.271  -9.921   6.416
   90    H    VAL  14           HN       VAL  14  56.912  -4.705   5.296
   91    HA   VAL  14           HA       VAL  14  55.503  -4.574   2.768
   92    HB   VAL  14           HB       VAL  14  54.718  -2.238   4.241
   93   1HG1  VAL  14          HG11      VAL  14  52.917  -4.428   3.261
   94   2HG1  VAL  14          HG12      VAL  14  53.737  -3.323   2.159
   95   3HG1  VAL  14          HG13      VAL  14  52.600  -2.695   3.352
   96   1HG2  VAL  14          HG21      VAL  14  53.670  -4.788   5.453
   97   2HG2  VAL  14          HG22      VAL  14  53.303  -3.132   5.934
   98   3HG2  VAL  14          HG23      VAL  14  54.919  -3.789   6.196
   99    H    CYS  15           HN       CYS  15  57.011  -3.760   1.496
  100    HA   CYS  15           HA       CYS  15  58.517  -2.343   0.586
  101   1HB   CYS  15          HB2       CYS  15  56.909  -0.692   2.317
  102   2HB   CYS  15          HB1       CYS  15  58.563  -0.102   2.296
  103    H    GLY  16           HN       GLY  16  59.549  -4.272   2.280
  104   1HA   GLY  16          HA2       GLY  16  61.491  -4.795   3.400
  105   2HA   GLY  16          HA1       GLY  16  62.123  -3.288   2.809
  106    H    GLY  17           HN       GLY  17  59.221  -3.270   4.667
  107   1HA   GLY  17          HA2       GLY  17  58.700  -2.630   6.796
  108   2HA   GLY  17          HA1       GLY  17  60.327  -3.083   7.266
  109    HA   PRO  18           HA       PRO  18  59.316   1.731   6.843
  110   1HB   PRO  18          HB2       PRO  18  59.222   1.440   9.811
  111   2HB   PRO  18          HB1       PRO  18  58.304   2.520   8.757
  112   1HG   PRO  18          HG2       PRO  18  57.164   0.354   9.803
  113   2HG   PRO  18          HG1       PRO  18  56.802   0.865   8.144
  114   1HD   PRO  18          HD2       PRO  18  58.505  -1.383   9.107
  115   2HD   PRO  18          HD1       PRO  18  57.487  -1.276   7.657
  116    H    GLY  19           HN       GLY  19  61.226  -0.333   8.960
  117   1HA   GLY  19          HA2       GLY  19  63.149   1.494   9.815
  118   2HA   GLY  19          HA1       GLY  19  63.426  -0.227   9.601
  119    H    ARG  20           HN       ARG  20  62.730  -0.001   6.702
  120    HA   ARG  20           HA       ARG  20  65.305   1.114   5.820
  121   1HB   ARG  20          HB2       ARG  20  63.601  -1.000   4.492
  122   2HB   ARG  20          HB1       ARG  20  65.174  -0.441   3.937
  123   1HG   ARG  20          HG2       ARG  20  66.301  -1.513   5.645
  124   2HG   ARG  20          HG1       ARG  20  64.877  -1.577   6.683
  125   1HD   ARG  20          HD2       ARG  20  64.410  -3.615   5.943
  126   2HD   ARG  20          HD1       ARG  20  64.305  -3.007   4.293
  127    HE   ARG  20           HE       ARG  20  66.431  -3.794   3.884
  128   1HH1  ARG  20          HH11      ARG  20  65.727  -4.028   7.296
  129   2HH1  ARG  20          HH12      ARG  20  67.097  -5.030   7.637
  130   1HH2  ARG  20          HH21      ARG  20  68.234  -5.111   4.332
  131   2HH2  ARG  20          HH22      ARG  20  68.521  -5.644   5.955
  132    H    GLY  21           HN       GLY  21  61.854   1.186   5.325
  133   1HA   GLY  21          HA2       GLY  21  61.910   3.690   4.055
  134   2HA   GLY  21          HA1       GLY  21  61.777   2.450   2.820
  135    H    LEU  22           HN       LEU  22  59.839   4.444   3.328
  136    HA   LEU  22           HA       LEU  22  57.600   2.788   4.278
  137   1HB   LEU  22          HB2       LEU  22  58.264   5.660   4.764
  138   2HB   LEU  22          HB1       LEU  22  56.580   5.172   4.707
  139    HG   LEU  22           HG       LEU  22  57.339   3.377   6.422
  140   1HD1  LEU  22          HD11      LEU  22  59.767   4.485   6.025
  141   2HD1  LEU  22          HD12      LEU  22  59.297   3.618   7.486
  142   3HD1  LEU  22          HD13      LEU  22  59.217   5.379   7.442
  143   1HD2  LEU  22          HD21      LEU  22  55.745   5.248   6.773
  144   2HD2  LEU  22          HD22      LEU  22  57.110   6.243   7.280
  145   3HD2  LEU  22          HD23      LEU  22  56.672   4.808   8.208
  146    H    CYS  23           HN       CYS  23  55.746   2.799   3.109
  147    HA   CYS  23           HA       CYS  23  55.921   3.843   0.401
  148   1HB   CYS  23          HB2       CYS  23  54.373   2.279  -0.177
  149   2HB   CYS  23          HB1       CYS  23  54.858   1.535   1.339
  150    H    PHE  24           HN       PHE  24  54.984   5.783  -0.227
  151    HA   PHE  24           HA       PHE  24  52.868   6.784   1.563
  152   1HB   PHE  24          HB2       PHE  24  55.470   8.145   0.979
  153   2HB   PHE  24          HB1       PHE  24  54.033   9.084   1.371
  154    HD1  PHE  24           HD1      PHE  24  56.870   8.095   2.736
  155    HD2  PHE  24           HD2      PHE  24  52.697   7.684   3.415
  156    HE1  PHE  24           HE1      PHE  24  57.321   7.651   5.129
  157    HE2  PHE  24           HE2      PHE  24  53.128   7.241   5.814
  158    HZ   PHE  24           HZ       PHE  24  55.437   7.239   6.667
  159    H    CYS  25           HN       CYS  25  52.156   8.922   0.902
  160    HA   CYS  25           HA       CYS  25  50.522   8.988  -1.174
  161   1HB   CYS  25          HB2       CYS  25  50.400  10.730   0.337
  162   2HB   CYS  25          HB1       CYS  25  52.142  11.029   0.286
  163    H    GLY  26           HN       GLY  26  51.525   7.822  -2.918
  164   1HA   GLY  26          HA2       GLY  26  52.058   8.561  -5.229
  165   2HA   GLY  26          HA1       GLY  26  53.381   9.470  -4.516
  166    H    LYS  27           HN       LYS  27  54.723   7.861  -2.934
  167    HA   LYS  27           HA       LYS  27  55.066   5.233  -4.118
  168   1HB   LYS  27          HB2       LYS  27  57.092   7.421  -4.376
  169   2HB   LYS  27          HB1       LYS  27  57.524   5.722  -4.480
  170   1HG   LYS  27          HG2       LYS  27  55.671   5.634  -6.306
  171   2HG   LYS  27          HG1       LYS  27  55.915   7.381  -6.368
  172   1HD   LYS  27          HD2       LYS  27  58.450   6.688  -6.516
  173   2HD   LYS  27          HD1       LYS  27  57.773   5.172  -7.110
  174   1HE   LYS  27          HE2       LYS  27  56.365   7.080  -8.511
  175   2HE   LYS  27          HE1       LYS  27  57.985   7.771  -8.415
  176   1HZ   LYS  27          HZ1       LYS  27  57.667   6.373 -10.385
  177   2HZ   LYS  27          HZ2       LYS  27  57.363   5.036  -9.395
  178   3HZ   LYS  27          HZ3       LYS  27  58.886   5.772  -9.377
  179    H    CYS  28           HN       CYS  28  57.285   4.309  -3.206
  180    HA   CYS  28           HA       CYS  28  57.080   4.501  -0.314
  181   1HB   CYS  28          HB2       CYS  28  57.233   2.307  -1.709
  182   2HB   CYS  28          HB1       CYS  28  58.954   2.665  -1.780
  183    H    ARG  29           HN       ARG  29  58.180   6.105   0.571
  184    HA   ARG  29           HA       ARG  29  60.649   7.077  -0.569
  185   1HB   ARG  29          HB2       ARG  29  59.094   8.707   0.280
  186   2HB   ARG  29          HB1       ARG  29  59.030   7.904   1.842
  187   1HG   ARG  29          HG2       ARG  29  60.382  10.002   1.778
  188   2HG   ARG  29          HG1       ARG  29  61.234   8.582   2.382
  189   1HD   ARG  29          HD2       ARG  29  62.648   8.512   0.608
  190   2HD   ARG  29          HD1       ARG  29  61.430   9.102  -0.521
  191    HE   ARG  29           HE       ARG  29  62.277  11.191  -0.222
  192   1HH1  ARG  29          HH11      ARG  29  63.104   9.280   2.580
  193   2HH1  ARG  29          HH12      ARG  29  64.037  10.539   3.318
  194   1HH2  ARG  29          HH21      ARG  29  63.506  12.848   0.747
  195   2HH2  ARG  29          HH22      ARG  29  64.264  12.565   2.278
  196    H    CYS  30           HN       CYS  30  62.069   5.340  -0.280
  197    HA   CYS  30           HA       CYS  30  62.620   4.504   2.463
  198   1HB   CYS  30          HB2       CYS  30  64.335   2.980   1.182
  199   2HB   CYS  30          HB1       CYS  30  62.629   2.574   1.215
  200    H    HIS  31           HN       HIS  31  64.795   4.445   3.275
  201    HA   HIS  31           HA       HIS  31  66.124   6.909   2.991
  202   1HB   HIS  31          HB2       HIS  31  67.516   4.489   4.091
  203   2HB   HIS  31          HB1       HIS  31  67.592   6.159   4.642
  204    HD1  HIS  31           HD1      HIS  31  64.333   6.336   4.701
  205    HD2  HIS  31           HD2      HIS  31  66.781   3.610   6.660
  206    HE1  HIS  31           HE1      HIS  31  62.972   5.483   6.637
  207    HE2  HIS  31           HE2      HIS  31  64.452   3.786   7.769
  208    HA   PRO  32           HA       PRO  32  68.810   6.412  -0.454
  209   1HB   PRO  32          HB2       PRO  32  71.013   7.533   1.151
  210   2HB   PRO  32          HB1       PRO  32  70.281   8.148  -0.333
  211   1HG   PRO  32          HG2       PRO  32  69.851   9.342   2.027
  212   2HG   PRO  32          HG1       PRO  32  68.580   9.235   0.795
  213   1HD   PRO  32          HD2       PRO  32  68.945   7.621   3.286
  214   2HD   PRO  32          HD1       PRO  32  67.454   8.255   2.558
  215    H    GLY  33           HN       GLY  33  69.364   4.479  -0.970
  216   1HA   GLY  33          HA2       GLY  33  71.310   3.064  -1.193
  217   2HA   GLY  33          HA1       GLY  33  71.543   3.195   0.541
  218    H    PHE  34           HN       PHE  34  68.330   2.795  -0.715
  219    HA   PHE  34           HA       PHE  34  68.386  -0.038   0.090
  220   1HB   PHE  34          HB2       PHE  34  66.377   2.100   0.742
  221   2HB   PHE  34          HB1       PHE  34  65.935   0.398   0.766
  222    HD1  PHE  34           HD1      PHE  34  67.902  -1.054   2.031
  223    HD2  PHE  34           HD2      PHE  34  66.802   2.983   2.809
  224    HE1  PHE  34           HE1      PHE  34  68.792  -1.256   4.316
  225    HE2  PHE  34           HE2      PHE  34  67.690   2.787   5.095
  226    HZ   PHE  34           HZ       PHE  34  68.686   0.667   5.851
  227    H    GLU  35           HN       GLU  35  67.026  -1.458  -1.036
  228    HA   GLU  35           HA       GLU  35  65.414  -0.489  -3.218
  229   1HB   GLU  35          HB2       GLU  35  68.124  -1.533  -3.655
  230   2HB   GLU  35          HB1       GLU  35  66.893  -2.314  -4.636
  231   1HG   GLU  35          HG2       GLU  35  67.098   0.665  -4.477
  232   2HG   GLU  35          HG1       GLU  35  68.105  -0.270  -5.581
  233    H    GLY  36           HN       GLY  36  66.981  -3.663  -3.165
  234   1HA   GLY  36          HA2       GLY  36  66.100  -5.770  -2.841
  235   2HA   GLY  36          HA1       GLY  36  65.016  -5.017  -1.671
  236    H    SER  37           HN       SER  37  63.238  -6.245  -2.258
  237    HA   SER  37           HA       SER  37  62.273  -6.106  -5.007
  238   1HB   SER  37          HB2       SER  37  61.572  -7.673  -2.570
  239   2HB   SER  37          HB1       SER  37  60.254  -7.319  -3.688
  240    HG   SER  37           HG       SER  37  61.069  -8.690  -5.062
  241    H    ALA  38           HN       ALA  38  62.338  -4.267  -2.329
  242    HA   ALA  38           HA       ALA  38  60.087  -2.606  -3.149
  243   1HB   ALA  38          HB1       ALA  38  60.059  -2.415  -0.412
  244   2HB   ALA  38          HB2       ALA  38  60.299  -4.140  -0.686
  245   3HB   ALA  38          HB3       ALA  38  58.905  -3.320  -1.390
  246    H    CYS  39           HN       CYS  39  62.012  -2.562  -0.213
  247    HA   CYS  39           HA       CYS  39  63.871  -0.683  -1.227
  248   1HB   CYS  39          HB2       CYS  39  61.613   0.215   0.487
  249   2HB   CYS  39          HB1       CYS  39  63.193   0.952   0.722
  250    H    GLN  40           HN       GLN  40  64.252  -3.192  -0.126
  251    HA   GLN  40           HA       GLN  40  65.234  -2.647   2.598
  252   1HB   GLN  40          HB2       GLN  40  65.208  -5.065   2.931
  253   2HB   GLN  40          HB1       GLN  40  63.633  -4.484   2.408
  254   1HG   GLN  40          HG2       GLN  40  65.316  -5.267   0.183
  255   2HG   GLN  40          HG1       GLN  40  65.049  -6.583   1.313
  256   1HE2  GLN  40          HE21      GLN  40  63.846  -7.627  -0.350
  257   2HE2  GLN  40          HE22      GLN  40  62.219  -7.148  -0.695
  258    H    ALA  41           HN       ALA  41  66.257  -3.838  -0.555
  259    HA   ALA  41           HA       ALA  41  68.922  -4.410   0.471
  260   1HB   ALA  41          HB1       ALA  41  67.402  -5.658  -1.387
  261   2HB   ALA  41          HB2       ALA  41  69.152  -5.815  -1.258
  262   3HB   ALA  41          HB3       ALA  41  68.451  -4.679  -2.411
  Start of MODEL   10
    1   1H    GLU   1          HT1       GLU   1  46.645  13.789  -5.412
    2   2H    GLU   1          HT2       GLU   1  45.245  14.385  -6.204
    3   3H    GLU   1          HT3       GLU   1  46.300  13.305  -7.019
    4    HA   GLU   1           HA       GLU   1  44.898  12.597  -4.542
    5   1HB   GLU   1          HB2       GLU   1  43.227  11.507  -5.996
    6   2HB   GLU   1          HB1       GLU   1  43.237  13.254  -6.195
    7   1HG   GLU   1          HG2       GLU   1  45.047  12.155  -8.078
    8   2HG   GLU   1          HG1       GLU   1  43.544  11.236  -8.164
    9    H    CYS   2           HN       CYS   2  46.637  11.327  -3.886
   10    HA   CYS   2           HA       CYS   2  47.943   9.493  -5.636
   11   1HB   CYS   2          HB2       CYS   2  47.964   9.936  -2.668
   12   2HB   CYS   2          HB1       CYS   2  48.774   8.541  -3.378
   13    H    ASP   3           HN       ASP   3  46.035   8.765  -2.702
   14    HA   ASP   3           HA       ASP   3  44.330   7.254  -2.384
   15   1HB   ASP   3          HB2       ASP   3  44.019   7.737  -4.983
   16   2HB   ASP   3          HB1       ASP   3  44.575   6.072  -5.105
   17    H    THR   4           HN       THR   4  44.467   4.610  -3.938
   18    HA   THR   4           HA       THR   4  46.240   3.296  -2.111
   19    HB   THR   4           HB       THR   4  45.307   1.222  -3.087
   20    HG1  THR   4           HG1      THR   4  44.361   1.289  -4.941
   21   1HG2  THR   4          HG21      THR   4  43.503   1.326  -1.803
   22   2HG2  THR   4          HG22      THR   4  42.787   2.612  -2.776
   23   3HG2  THR   4          HG23      THR   4  43.939   3.007  -1.499
   24    H    ILE   5           HN       ILE   5  48.232   3.001  -2.545
   25    HA   ILE   5           HA       ILE   5  49.156   2.065  -5.105
   26    HB   ILE   5           HB       ILE   5  50.789   3.779  -5.497
   27   1HG1  ILE   5          HG12      ILE   5  51.493   4.758  -3.541
   28   2HG1  ILE   5          HG11      ILE   5  50.403   5.994  -4.141
   29   1HG2  ILE   5          HG21      ILE   5  49.365   5.530  -6.263
   30   2HG2  ILE   5          HG22      ILE   5  48.128   5.108  -5.077
   31   3HG2  ILE   5          HG23      ILE   5  48.490   4.004  -6.406
   32   1HD1  ILE   5          HD11      ILE   5  48.636   5.037  -2.671
   33   2HD1  ILE   5          HD12      ILE   5  50.009   5.741  -1.821
   34   3HD1  ILE   5          HD13      ILE   5  49.870   3.990  -1.973
   35    H    ASN   6           HN       ASN   6  49.400   0.372  -3.579
   36    HA   ASN   6           HA       ASN   6  51.413   0.611  -1.539
   37   1HB   ASN   6          HB2       ASN   6  50.771  -1.611  -0.931
   38   2HB   ASN   6          HB1       ASN   6  49.308  -0.703  -1.299
   39   1HD2  ASN   6          HD21      ASN   6  48.261  -1.066  -3.303
   40   2HD2  ASN   6          HD22      ASN   6  48.442  -2.570  -4.132
   41    H    CYS   7           HN       CYS   7  53.421  -0.249  -1.537
   42    HA   CYS   7           HA       CYS   7  54.493  -1.015  -4.149
   43   1HB   CYS   7          HB2       CYS   7  55.861  -0.111  -1.615
   44   2HB   CYS   7          HB1       CYS   7  56.683  -0.485  -3.120
   45    H    GLU   8           HN       GLU   8  56.651  -2.377  -3.756
   46    HA   GLU   8           HA       GLU   8  55.795  -4.991  -3.065
   47   1HB   GLU   8          HB2       GLU   8  58.625  -4.001  -3.462
   48   2HB   GLU   8          HB1       GLU   8  58.073  -5.666  -3.568
   49   1HG   GLU   8          HG2       GLU   8  58.066  -5.229  -5.770
   50   2HG   GLU   8          HG1       GLU   8  56.479  -4.551  -5.412
   51    H    ARG   9           HN       ARG   9  56.354  -6.281  -1.307
   52    HA   ARG   9           HA       ARG   9  57.315  -4.780   1.026
   53   1HB   ARG   9          HB2       ARG   9  56.383  -7.094   2.093
   54   2HB   ARG   9          HB1       ARG   9  55.455  -5.621   1.936
   55   1HG   ARG   9          HG2       ARG   9  55.461  -7.587  -0.296
   56   2HG   ARG   9          HG1       ARG   9  54.482  -7.891   1.139
   57   1HD   ARG   9          HD2       ARG   9  53.533  -5.564   0.813
   58   2HD   ARG   9          HD1       ARG   9  54.309  -5.573  -0.771
   59    HE   ARG   9           HE       ARG   9  52.892  -7.846  -0.836
   60   1HH1  ARG   9          HH11      ARG   9  52.006  -4.594   0.075
   61   2HH1  ARG   9          HH12      ARG   9  50.354  -4.777  -0.407
   62   1HH2  ARG   9          HH21      ARG   9  50.720  -8.086  -1.470
   63   2HH2  ARG   9          HH22      ARG   9  49.622  -6.759  -1.284
   64    H    TYR  10           HN       TYR  10  58.568  -5.902   2.593
   65    HA   TYR  10           HA       TYR  10  60.227  -8.012   1.454
   66   1HB   TYR  10          HB2       TYR  10  62.186  -6.942   1.746
   67   2HB   TYR  10          HB1       TYR  10  61.164  -5.552   1.524
   68    HD1  TYR  10           HD1      TYR  10  61.898  -7.611   4.590
   69    HD2  TYR  10           HD2      TYR  10  62.068  -3.841   2.628
   70    HE1  TYR  10           HE1      TYR  10  62.764  -6.593   6.640
   71    HE2  TYR  10           HE2      TYR  10  62.937  -2.806   4.677
   72    HH   TYR  10           HH       TYR  10  62.744  -4.136   7.636
   73    H    ASN  11           HN       ASN  11  58.469  -6.914   4.025
   74    HA   ASN  11           HA       ASN  11  58.870  -9.369   5.464
   75   1HB   ASN  11          HB2       ASN  11  60.337  -7.068   6.267
   76   2HB   ASN  11          HB1       ASN  11  59.069  -7.316   7.463
   77   1HD2  ASN  11          HD21      ASN  11  61.375  -9.259   5.588
   78   2HD2  ASN  11          HD22      ASN  11  61.860 -10.264   6.908
   79    H    GLY  12           HN       GLY  12  56.642  -9.023   4.316
   80   1HA   GLY  12          HA2       GLY  12  54.367  -8.742   4.550
   81   2HA   GLY  12          HA1       GLY  12  54.658  -8.760   6.288
   82    H    GLN  13           HN       GLN  13  56.236  -6.462   4.261
   83    HA   GLN  13           HA       GLN  13  54.349  -4.314   4.766
   84   1HB   GLN  13          HB2       GLN  13  57.008  -4.619   6.115
   85   2HB   GLN  13          HB1       GLN  13  56.432  -3.011   5.724
   86   1HG   GLN  13          HG2       GLN  13  54.260  -4.205   6.947
   87   2HG   GLN  13          HG1       GLN  13  55.645  -4.796   7.862
   88   1HE2  GLN  13          HE21      GLN  13  54.486  -1.761   6.426
   89   2HE2  GLN  13          HE22      GLN  13  54.903  -0.765   7.775
   90    H    VAL  14           HN       VAL  14  54.392  -2.965   2.974
   91    HA   VAL  14           HA       VAL  14  56.084  -3.386   0.806
   92    HB   VAL  14           HB       VAL  14  55.440  -1.256  -0.077
   93   1HG1  VAL  14          HG11      VAL  14  52.923  -1.678   1.330
   94   2HG1  VAL  14          HG12      VAL  14  53.640  -3.159   0.693
   95   3HG1  VAL  14          HG13      VAL  14  53.304  -1.806  -0.387
   96   1HG2  VAL  14          HG21      VAL  14  53.952   0.166   1.656
   97   2HG2  VAL  14          HG22      VAL  14  55.675   0.438   1.392
   98   3HG2  VAL  14          HG23      VAL  14  55.135  -0.531   2.763
   99    H    CYS  15           HN       CYS  15  58.256  -3.168   0.698
  100    HA   CYS  15           HA       CYS  15  60.370  -2.425   1.146
  101   1HB   CYS  15          HB2       CYS  15  58.858   0.024   2.123
  102   2HB   CYS  15          HB1       CYS  15  60.602  -0.056   2.002
  103    H    GLY  16           HN       GLY  16  59.333  -4.225   2.731
  104   1HA   GLY  16          HA2       GLY  16  58.882  -4.896   4.945
  105   2HA   GLY  16          HA1       GLY  16  60.609  -4.785   4.879
  106    H    GLY  17           HN       GLY  17  58.078  -2.286   5.190
  107   1HA   GLY  17          HA2       GLY  17  57.579  -1.114   7.192
  108   2HA   GLY  17          HA1       GLY  17  59.095  -1.681   7.871
  109    HA   PRO  18           HA       PRO  18  59.269   2.694   5.753
  110   1HB   PRO  18          HB2       PRO  18  58.843   3.784   8.466
  111   2HB   PRO  18          HB1       PRO  18  58.159   4.306   6.924
  112   1HG   PRO  18          HG2       PRO  18  56.676   3.021   8.748
  113   2HG   PRO  18          HG1       PRO  18  56.444   2.763   7.009
  114   1HD   PRO  18          HD2       PRO  18  57.839   1.036   9.014
  115   2HD   PRO  18          HD1       PRO  18  56.795   0.571   7.654
  116    H    GLY  19           HN       GLY  19  60.592   1.047   8.485
  117   1HA   GLY  19          HA2       GLY  19  62.598   2.673   9.401
  118   2HA   GLY  19          HA1       GLY  19  62.781   0.935   9.212
  119    H    ARG  20           HN       ARG  20  62.691   0.664   6.486
  120    HA   ARG  20           HA       ARG  20  65.191   1.970   5.678
  121   1HB   ARG  20          HB2       ARG  20  63.823  -0.573   4.799
  122   2HB   ARG  20          HB1       ARG  20  65.172   0.123   3.924
  123   1HG   ARG  20          HG2       ARG  20  65.826  -1.677   5.450
  124   2HG   ARG  20          HG1       ARG  20  66.619  -0.145   5.789
  125   1HD   ARG  20          HD2       ARG  20  65.819  -1.390   7.783
  126   2HD   ARG  20          HD1       ARG  20  65.232   0.261   7.660
  127    HE   ARG  20           HE       ARG  20  63.336  -1.413   6.488
  128   1HH1  ARG  20          HH11      ARG  20  64.712  -0.821   9.640
  129   2HH1  ARG  20          HH12      ARG  20  63.281  -1.296  10.492
  130   1HH2  ARG  20          HH21      ARG  20  61.451  -2.036   7.609
  131   2HH2  ARG  20          HH22      ARG  20  61.431  -1.986   9.340
  132    H    GLY  21           HN       GLY  21  61.949   1.139   4.559
  133   1HA   GLY  21          HA2       GLY  21  61.821   3.541   2.954
  134   2HA   GLY  21          HA1       GLY  21  61.808   2.047   2.025
  135    H    LEU  22           HN       LEU  22  59.716   4.167   2.493
  136    HA   LEU  22           HA       LEU  22  57.606   2.312   3.328
  137   1HB   LEU  22          HB2       LEU  22  56.714   3.673   4.878
  138   2HB   LEU  22          HB1       LEU  22  58.379   4.213   4.988
  139    HG   LEU  22           HG       LEU  22  56.652   5.584   3.053
  140   1HD1  LEU  22          HD11      LEU  22  56.146   5.526   5.957
  141   2HD1  LEU  22          HD12      LEU  22  55.040   5.836   4.618
  142   3HD1  LEU  22          HD13      LEU  22  56.122   7.110   5.180
  143   1HD2  LEU  22          HD21      LEU  22  58.004   7.455   3.589
  144   2HD2  LEU  22          HD22      LEU  22  59.084   6.066   3.477
  145   3HD2  LEU  22          HD23      LEU  22  58.599   6.681   5.057
  146    H    CYS  23           HN       CYS  23  55.814   2.241   2.132
  147    HA   CYS  23           HA       CYS  23  55.750   3.923  -0.259
  148   1HB   CYS  23          HB2       CYS  23  55.651   1.390  -0.418
  149   2HB   CYS  23          HB1       CYS  23  54.033   1.511   0.263
  150    H    PHE  24           HN       PHE  24  54.324   5.451  -0.608
  151    HA   PHE  24           HA       PHE  24  51.721   5.337   0.645
  152   1HB   PHE  24          HB2       PHE  24  52.044   7.669   1.695
  153   2HB   PHE  24          HB1       PHE  24  52.673   6.271   2.548
  154    HD1  PHE  24           HD1      PHE  24  54.053   7.841   3.824
  155    HD2  PHE  24           HD2      PHE  24  54.529   7.370  -0.380
  156    HE1  PHE  24           HE1      PHE  24  56.257   8.899   3.967
  157    HE2  PHE  24           HE2      PHE  24  56.728   8.416  -0.237
  158    HZ   PHE  24           HZ       PHE  24  57.605   9.186   1.936
  159    H    CYS  25           HN       CYS  25  51.170   8.162   0.389
  160    HA   CYS  25           HA       CYS  25  50.000   8.576  -1.904
  161   1HB   CYS  25          HB2       CYS  25  50.374  10.308  -0.154
  162   2HB   CYS  25          HB1       CYS  25  51.974  10.598  -0.819
  163    H    GLY  26           HN       GLY  26  50.724   7.425  -3.646
  164   1HA   GLY  26          HA2       GLY  26  51.750   7.706  -5.787
  165   2HA   GLY  26          HA1       GLY  26  53.081   8.545  -5.000
  166    H    LYS  27           HN       LYS  27  54.484   7.185  -3.546
  167    HA   LYS  27           HA       LYS  27  54.415   4.324  -4.071
  168   1HB   LYS  27          HB2       LYS  27  56.909   5.801  -4.761
  169   2HB   LYS  27          HB1       LYS  27  56.453   4.156  -5.168
  170   1HG   LYS  27          HG2       LYS  27  56.262   5.282  -7.188
  171   2HG   LYS  27          HG1       LYS  27  54.604   5.242  -6.592
  172   1HD   LYS  27          HD2       LYS  27  54.578   7.455  -6.905
  173   2HD   LYS  27          HD1       LYS  27  55.637   7.564  -5.498
  174   1HE   LYS  27          HE2       LYS  27  57.034   8.612  -6.907
  175   2HE   LYS  27          HE1       LYS  27  57.423   6.983  -7.458
  176   1HZ   LYS  27          HZ1       LYS  27  56.950   8.240  -9.373
  177   2HZ   LYS  27          HZ2       LYS  27  55.557   8.922  -8.698
  178   3HZ   LYS  27          HZ3       LYS  27  55.578   7.283  -9.118
  179    H    CYS  28           HN       CYS  28  57.082   3.755  -3.459
  180    HA   CYS  28           HA       CYS  28  57.087   4.199  -0.597
  181   1HB   CYS  28          HB2       CYS  28  57.311   1.896  -1.361
  182   2HB   CYS  28          HB1       CYS  28  58.732   2.330  -2.301
  183    H    ARG  29           HN       ARG  29  58.117   5.851   0.176
  184    HA   ARG  29           HA       ARG  29  60.364   7.029  -1.218
  185   1HB   ARG  29          HB2       ARG  29  58.404   7.920   0.650
  186   2HB   ARG  29          HB1       ARG  29  59.980   8.173   1.370
  187   1HG   ARG  29          HG2       ARG  29  60.284   9.971   0.132
  188   2HG   ARG  29          HG1       ARG  29  60.063   9.026  -1.334
  189   1HD   ARG  29          HD2       ARG  29  57.728   9.435  -1.344
  190   2HD   ARG  29          HD1       ARG  29  57.782  10.136   0.271
  191    HE   ARG  29           HE       ARG  29  58.433  11.432  -2.216
  192   1HH1  ARG  29          HH11      ARG  29  58.858  11.484   1.249
  193   2HH1  ARG  29          HH12      ARG  29  59.217  13.177   1.304
  194   1HH2  ARG  29          HH21      ARG  29  58.905  13.657  -2.144
  195   2HH2  ARG  29          HH22      ARG  29  59.243  14.411  -0.622
  196    H    CYS  30           HN       CYS  30  61.981   5.555  -1.078
  197    HA   CYS  30           HA       CYS  30  62.715   4.477   1.522
  198   1HB   CYS  30          HB2       CYS  30  64.363   3.826  -0.850
  199   2HB   CYS  30          HB1       CYS  30  63.769   2.782   0.427
  200    H    HIS  31           HN       HIS  31  64.896   4.544   2.286
  201    HA   HIS  31           HA       HIS  31  66.038   7.179   1.980
  202   1HB   HIS  31          HB2       HIS  31  67.336   5.071   3.651
  203   2HB   HIS  31          HB1       HIS  31  67.130   6.789   3.976
  204    HD1  HIS  31           HD1      HIS  31  63.949   6.653   3.450
  205    HD2  HIS  31           HD2      HIS  31  66.158   4.308   6.077
  206    HE1  HIS  31           HE1      HIS  31  62.300   5.841   5.170
  207    HE2  HIS  31           HE2      HIS  31  63.683   4.509   6.806
  208    HA   PRO  32           HA       PRO  32  69.310   6.413  -0.838
  209   1HB   PRO  32          HB2       PRO  32  71.197   7.563   1.145
  210   2HB   PRO  32          HB1       PRO  32  70.869   8.063  -0.517
  211   1HG   PRO  32          HG2       PRO  32  69.957   9.503   1.524
  212   2HG   PRO  32          HG1       PRO  32  68.959   9.250   0.079
  213   1HD   PRO  32          HD2       PRO  32  68.788   7.918   2.753
  214   2HD   PRO  32          HD1       PRO  32  67.483   8.486   1.688
  215    H    GLY  33           HN       GLY  33  70.120   4.587  -1.296
  216   1HA   GLY  33          HA2       GLY  33  71.748   2.942  -1.182
  217   2HA   GLY  33          HA1       GLY  33  72.015   3.316   0.511
  218    H    PHE  34           HN       PHE  34  69.101   2.416  -1.337
  219    HA   PHE  34           HA       PHE  34  68.897  -0.012   0.283
  220   1HB   PHE  34          HB2       PHE  34  66.924   2.225   0.187
  221   2HB   PHE  34          HB1       PHE  34  66.350   0.578   0.405
  222    HD1  PHE  34           HD1      PHE  34  66.655   3.277   2.231
  223    HD2  PHE  34           HD2      PHE  34  68.408  -0.599   2.097
  224    HE1  PHE  34           HE1      PHE  34  67.167   3.426   4.633
  225    HE2  PHE  34           HE2      PHE  34  68.921  -0.455   4.498
  226    HZ   PHE  34           HZ       PHE  34  68.300   1.561   5.769
  227    H    GLU  35           HN       GLU  35  67.651  -1.682  -0.609
  228    HA   GLU  35           HA       GLU  35  66.382  -1.330  -3.169
  229   1HB   GLU  35          HB2       GLU  35  69.082  -2.497  -2.931
  230   2HB   GLU  35          HB1       GLU  35  67.950  -3.426  -3.902
  231   1HG   GLU  35          HG2       GLU  35  68.493  -0.501  -4.329
  232   2HG   GLU  35          HG1       GLU  35  69.357  -1.791  -5.163
  233    H    GLY  36           HN       GLY  36  67.812  -4.399  -2.127
  234   1HA   GLY  36          HA2       GLY  36  66.814  -6.367  -1.448
  235   2HA   GLY  36          HA1       GLY  36  65.674  -5.346  -0.573
  236    H    SER  37           HN       SER  37  63.840  -6.561  -1.024
  237    HA   SER  37           HA       SER  37  63.137  -7.001  -3.831
  238   1HB   SER  37          HB2       SER  37  62.293  -8.139  -1.237
  239   2HB   SER  37          HB1       SER  37  60.971  -7.850  -2.367
  240    HG   SER  37           HG       SER  37  62.375  -9.005  -3.929
  241    H    ALA  38           HN       ALA  38  63.126  -4.661  -1.640
  242    HA   ALA  38           HA       ALA  38  60.986  -3.146  -2.889
  243   1HB   ALA  38          HB1       ALA  38  60.359  -2.344  -0.595
  244   2HB   ALA  38          HB2       ALA  38  61.269  -3.719   0.034
  245   3HB   ALA  38          HB3       ALA  38  59.865  -3.987  -0.997
  246    H    CYS  39           HN       CYS  39  62.745  -2.560   0.101
  247    HA   CYS  39           HA       CYS  39  64.737  -1.007  -1.177
  248   1HB   CYS  39          HB2       CYS  39  62.584   0.373   0.400
  249   2HB   CYS  39          HB1       CYS  39  64.172   1.085   0.153
  250    H    GLN  40           HN       GLN  40  65.041  -3.227   0.403
  251    HA   GLN  40           HA       GLN  40  65.757  -2.242   3.069
  252   1HB   GLN  40          HB2       GLN  40  65.745  -4.446   3.822
  253   2HB   GLN  40          HB1       GLN  40  64.437  -4.395   2.654
  254   1HG   GLN  40          HG2       GLN  40  66.636  -5.135   1.152
  255   2HG   GLN  40          HG1       GLN  40  66.840  -6.001   2.667
  256   1HE2  GLN  40          HE21      GLN  40  63.960  -5.055   0.882
  257   2HE2  GLN  40          HE22      GLN  40  63.344  -6.653   0.687
  258    H    ALA  41           HN       ALA  41  67.299  -3.646   0.217
  259    HA   ALA  41           HA       ALA  41  69.865  -3.803   1.536
  260   1HB   ALA  41          HB1       ALA  41  68.789  -5.243  -0.447
  261   2HB   ALA  41          HB2       ALA  41  70.528  -5.090  -0.193
  262   3HB   ALA  41          HB3       ALA  41  69.720  -4.085  -1.396
  Start of MODEL   11
    1   1H    GLU   1          HT1       GLU   1  47.222   9.699   1.008
    2   2H    GLU   1          HT2       GLU   1  45.708  10.369   1.464
    3   3H    GLU   1          HT3       GLU   1  46.805  11.286   0.515
    4    HA   GLU   1           HA       GLU   1  45.483   8.787  -0.303
    5   1HB   GLU   1          HB2       GLU   1  44.989  11.677  -1.056
    6   2HB   GLU   1          HB1       GLU   1  44.203  10.291  -1.798
    7   1HG   GLU   1          HG2       GLU   1  42.597  10.823  -0.308
    8   2HG   GLU   1          HG1       GLU   1  43.574   9.792   0.736
    9    H    CYS   2           HN       CYS   2  46.757  11.730  -1.840
   10    HA   CYS   2           HA       CYS   2  48.302  12.066  -3.465
   11   1HB   CYS   2          HB2       CYS   2  49.653  10.552  -1.859
   12   2HB   CYS   2          HB1       CYS   2  49.376   9.286  -3.049
   13    H    ASP   3           HN       ASP   3  47.527   8.573  -3.736
   14    HA   ASP   3           HA       ASP   3  45.790   8.718  -5.878
   15   1HB   ASP   3          HB2       ASP   3  48.384   9.456  -6.702
   16   2HB   ASP   3          HB1       ASP   3  48.128   7.827  -7.320
   17    H    THR   4           HN       THR   4  46.631   6.543  -7.470
   18    HA   THR   4           HA       THR   4  46.192   4.364  -5.611
   19    HB   THR   4           HB       THR   4  46.198   3.007  -7.797
   20    HG1  THR   4           HG1      THR   4  47.280   4.540  -9.077
   21   1HG2  THR   4          HG21      THR   4  44.108   5.030  -8.176
   22   2HG2  THR   4          HG22      THR   4  44.168   4.291  -6.575
   23   3HG2  THR   4          HG23      THR   4  43.987   3.278  -8.008
   24    H    ILE   5           HN       ILE   5  48.078   4.196  -4.495
   25    HA   ILE   5           HA       ILE   5  50.249   2.815  -5.808
   26    HB   ILE   5           HB       ILE   5  51.859   4.464  -4.527
   27   1HG1  ILE   5          HG12      ILE   5  51.151   6.769  -4.583
   28   2HG1  ILE   5          HG11      ILE   5  49.626   6.334  -5.341
   29   1HG2  ILE   5          HG21      ILE   5  51.956   5.858  -6.684
   30   2HG2  ILE   5          HG22      ILE   5  50.671   4.798  -7.255
   31   3HG2  ILE   5          HG23      ILE   5  52.233   4.120  -6.799
   32   1HD1  ILE   5          HD11      ILE   5  49.053   5.067  -3.273
   33   2HD1  ILE   5          HD12      ILE   5  49.211   6.806  -3.050
   34   3HD1  ILE   5          HD13      ILE   5  50.508   5.729  -2.533
   35    H    ASN   6           HN       ASN   6  49.306   1.263  -4.398
   36    HA   ASN   6           HA       ASN   6  49.407   1.701  -1.565
   37   1HB   ASN   6          HB2       ASN   6  48.236  -0.302  -1.387
   38   2HB   ASN   6          HB1       ASN   6  47.694   0.367  -2.922
   39   1HD2  ASN   6          HD21      ASN   6  50.183  -0.304  -4.286
   40   2HD2  ASN   6          HD22      ASN   6  50.133  -2.003  -4.556
   41    H    CYS   7           HN       CYS   7  50.599   0.533  -0.074
   42    HA   CYS   7           HA       CYS   7  53.300   0.421  -0.439
   43   1HB   CYS   7          HB2       CYS   7  51.942  -1.432   1.496
   44   2HB   CYS   7          HB1       CYS   7  53.489  -0.612   1.656
   45    H    GLU   8           HN       GLU   8  54.793  -0.952  -1.068
   46    HA   GLU   8           HA       GLU   8  53.956  -3.487  -2.280
   47   1HB   GLU   8          HB2       GLU   8  56.678  -2.169  -2.413
   48   2HB   GLU   8          HB1       GLU   8  56.070  -3.465  -3.435
   49   1HG   GLU   8          HG2       GLU   8  54.235  -1.457  -3.829
   50   2HG   GLU   8          HG1       GLU   8  55.762  -0.587  -3.686
   51    H    ARG   9           HN       ARG   9  55.000  -5.475  -1.668
   52    HA   ARG   9           HA       ARG   9  56.353  -5.262   0.930
   53   1HB   ARG   9          HB2       ARG   9  55.572  -7.948   0.572
   54   2HB   ARG   9          HB1       ARG   9  55.000  -6.795   1.768
   55   1HG   ARG   9          HG2       ARG   9  53.816  -6.662  -0.931
   56   2HG   ARG   9          HG1       ARG   9  53.407  -8.043   0.080
   57   1HD   ARG   9          HD2       ARG   9  52.215  -6.796   1.543
   58   2HD   ARG   9          HD1       ARG   9  53.288  -5.406   1.388
   59    HE   ARG   9           HE       ARG   9  51.808  -4.544  -0.105
   60   1HH1  ARG   9          HH11      ARG   9  51.446  -8.017  -0.122
   61   2HH1  ARG   9          HH12      ARG   9  50.131  -7.999  -1.248
   62   1HH2  ARG   9          HH21      ARG   9  50.075  -4.521  -1.582
   63   2HH2  ARG   9          HH22      ARG   9  49.352  -6.016  -2.076
   64    H    TYR  10           HN       TYR  10  57.955  -6.693   1.424
   65    HA   TYR  10           HA       TYR  10  59.529  -7.583  -0.867
   66   1HB   TYR  10          HB2       TYR  10  61.512  -6.997   0.288
   67   2HB   TYR  10          HB1       TYR  10  60.400  -5.670   0.571
   68    HD1  TYR  10           HD1      TYR  10  62.892  -7.147   2.075
   69    HD2  TYR  10           HD2      TYR  10  58.731  -6.638   2.725
   70    HE1  TYR  10           HE1      TYR  10  63.246  -7.377   4.488
   71    HE2  TYR  10           HE2      TYR  10  59.052  -6.871   5.128
   72    HH   TYR  10           HH       TYR  10  61.880  -6.556   6.655
   73    H    ASN  11           HN       ASN  11  58.224  -8.449   2.135
   74    HA   ASN  11           HA       ASN  11  58.699 -11.250   1.652
   75   1HB   ASN  11          HB2       ASN  11  60.702 -10.128   2.986
   76   2HB   ASN  11          HB1       ASN  11  59.603 -10.340   4.346
   77   1HD2  ASN  11          HD21      ASN  11  62.106 -11.609   4.032
   78   2HD2  ASN  11          HD22      ASN  11  61.826 -13.311   3.923
   79    H    GLY  12           HN       GLY  12  57.458  -8.747   3.786
   80   1HA   GLY  12          HA2       GLY  12  54.868  -9.571   3.956
   81   2HA   GLY  12          HA1       GLY  12  55.677 -10.526   5.184
   82    H    GLN  13           HN       GLN  13  57.309  -7.634   5.028
   83    HA   GLN  13           HA       GLN  13  55.813  -6.576   7.314
   84   1HB   GLN  13          HB2       GLN  13  58.565  -5.749   6.377
   85   2HB   GLN  13          HB1       GLN  13  57.814  -5.406   7.932
   86   1HG   GLN  13          HG2       GLN  13  57.797  -8.187   7.711
   87   2HG   GLN  13          HG1       GLN  13  59.376  -7.678   7.115
   88   1HE2  GLN  13          HE21      GLN  13  57.127  -7.014   9.777
   89   2HE2  GLN  13          HE22      GLN  13  58.340  -6.889  11.001
   90    H    VAL  14           HN       VAL  14  56.508  -6.051   4.041
   91    HA   VAL  14           HA       VAL  14  55.587  -4.563   2.589
   92    HB   VAL  14           HB       VAL  14  54.841  -2.702   4.834
   93   1HG1  VAL  14          HG11      VAL  14  54.747  -1.907   2.493
   94   2HG1  VAL  14          HG12      VAL  14  53.173  -1.920   3.288
   95   3HG1  VAL  14          HG13      VAL  14  53.590  -3.190   2.138
   96   1HG2  VAL  14          HG21      VAL  14  52.522  -3.993   4.308
   97   2HG2  VAL  14          HG22      VAL  14  53.592  -4.393   5.652
   98   3HG2  VAL  14          HG23      VAL  14  53.676  -5.319   4.154
   99    H    CYS  15           HN       CYS  15  57.381  -4.027   1.649
  100    HA   CYS  15           HA       CYS  15  59.038  -2.756   0.891
  101   1HB   CYS  15          HB2       CYS  15  57.478  -0.872   2.476
  102   2HB   CYS  15          HB1       CYS  15  59.171  -0.423   2.309
  103    H    GLY  16           HN       GLY  16  59.763  -4.648   2.580
  104   1HA   GLY  16          HA2       GLY  16  61.391  -5.294   4.061
  105   2HA   GLY  16          HA1       GLY  16  62.341  -4.098   3.232
  106    H    GLY  17           HN       GLY  17  59.773  -4.240   5.694
  107   1HA   GLY  17          HA2       GLY  17  59.516  -3.155   7.697
  108   2HA   GLY  17          HA1       GLY  17  61.259  -3.301   7.839
  109    HA   PRO  18           HA       PRO  18  59.992   1.196   7.228
  110   1HB   PRO  18          HB2       PRO  18  59.958   2.127   9.737
  111   2HB   PRO  18          HB1       PRO  18  58.550   1.322   9.031
  112   1HG   PRO  18          HG2       PRO  18  60.605   0.240  10.917
  113   2HG   PRO  18          HG1       PRO  18  58.849  -0.008  10.910
  114   1HD   PRO  18          HD2       PRO  18  60.683  -1.804   9.903
  115   2HD   PRO  18          HD1       PRO  18  58.983  -1.719   9.403
  116    H    GLY  19           HN       GLY  19  62.358  -0.360   9.293
  117   1HA   GLY  19          HA2       GLY  19  64.097   1.688   9.877
  118   2HA   GLY  19          HA1       GLY  19  64.609   0.039   9.555
  119    H    ARG  20           HN       ARG  20  63.498   0.250   6.770
  120    HA   ARG  20           HA       ARG  20  65.789   1.690   5.636
  121   1HB   ARG  20          HB2       ARG  20  64.077  -0.411   4.308
  122   2HB   ARG  20          HB1       ARG  20  65.596   0.249   3.715
  123   1HG   ARG  20          HG2       ARG  20  66.817  -1.139   4.961
  124   2HG   ARG  20          HG1       ARG  20  65.803  -0.902   6.385
  125   1HD   ARG  20          HD2       ARG  20  64.668  -2.783   6.010
  126   2HD   ARG  20          HD1       ARG  20  64.454  -2.410   4.300
  127    HE   ARG  20           HE       ARG  20  66.973  -3.189   4.288
  128   1HH1  ARG  20          HH11      ARG  20  64.240  -4.612   5.933
  129   2HH1  ARG  20          HH12      ARG  20  64.895  -6.213   5.893
  130   1HH2  ARG  20          HH21      ARG  20  67.827  -5.298   4.230
  131   2HH2  ARG  20          HH22      ARG  20  66.927  -6.603   4.926
  132    H    GLY  21           HN       GLY  21  62.325   1.064   4.943
  133   1HA   GLY  21          HA2       GLY  21  61.951   3.815   4.198
  134   2HA   GLY  21          HA1       GLY  21  61.963   2.742   2.814
  135    H    LEU  22           HN       LEU  22  59.860   4.445   4.048
  136    HA   LEU  22           HA       LEU  22  57.852   2.495   4.868
  137   1HB   LEU  22          HB2       LEU  22  57.926   5.489   4.816
  138   2HB   LEU  22          HB1       LEU  22  56.502   4.561   5.258
  139    HG   LEU  22           HG       LEU  22  57.305   4.854   7.298
  140   1HD1  LEU  22          HD11      LEU  22  59.072   2.609   6.438
  141   2HD1  LEU  22          HD12      LEU  22  57.436   2.482   7.086
  142   3HD1  LEU  22          HD13      LEU  22  58.751   3.055   8.112
  143   1HD2  LEU  22          HD21      LEU  22  59.336   5.697   7.904
  144   2HD2  LEU  22          HD22      LEU  22  59.263   6.196   6.215
  145   3HD2  LEU  22          HD23      LEU  22  60.191   4.768   6.673
  146    H    CYS  23           HN       CYS  23  55.537   3.343   4.019
  147    HA   CYS  23           HA       CYS  23  55.722   3.544   1.081
  148   1HB   CYS  23          HB2       CYS  23  53.877   1.981   0.902
  149   2HB   CYS  23          HB1       CYS  23  55.160   1.259   1.863
  150    H    PHE  24           HN       PHE  24  54.789   5.444   0.350
  151    HA   PHE  24           HA       PHE  24  52.093   5.957   1.225
  152   1HB   PHE  24          HB2       PHE  24  52.940   8.510   1.738
  153   2HB   PHE  24          HB1       PHE  24  52.482   7.321   2.936
  154    HD1  PHE  24           HD1      PHE  24  55.269   9.088   1.334
  155    HD2  PHE  24           HD2      PHE  24  54.088   6.301   4.319
  156    HE1  PHE  24           HE1      PHE  24  57.456   9.332   2.441
  157    HE2  PHE  24           HE2      PHE  24  56.271   6.532   5.427
  158    HZ   PHE  24           HZ       PHE  24  57.961   8.053   4.484
  159    H    CYS  25           HN       CYS  25  51.865   8.627   0.547
  160    HA   CYS  25           HA       CYS  25  51.010   8.867  -1.872
  161   1HB   CYS  25          HB2       CYS  25  51.132  10.796  -0.506
  162   2HB   CYS  25          HB1       CYS  25  52.894  10.721  -0.432
  163    H    GLY  26           HN       GLY  26  51.602   8.310  -3.851
  164   1HA   GLY  26          HA2       GLY  26  52.940   8.129  -5.736
  165   2HA   GLY  26          HA1       GLY  26  54.276   8.811  -4.815
  166    H    LYS  27           HN       LYS  27  55.225   7.338  -3.119
  167    HA   LYS  27           HA       LYS  27  54.861   4.500  -3.574
  168   1HB   LYS  27          HB2       LYS  27  57.598   5.630  -3.960
  169   2HB   LYS  27          HB1       LYS  27  57.027   4.008  -4.303
  170   1HG   LYS  27          HG2       LYS  27  55.881   6.300  -5.829
  171   2HG   LYS  27          HG1       LYS  27  57.482   5.698  -6.241
  172   1HD   LYS  27          HD2       LYS  27  55.105   3.877  -5.998
  173   2HD   LYS  27          HD1       LYS  27  55.512   4.697  -7.507
  174   1HE   LYS  27          HE2       LYS  27  57.430   2.944  -5.980
  175   2HE   LYS  27          HE1       LYS  27  56.403   2.360  -7.289
  176   1HZ   LYS  27          HZ1       LYS  27  58.120   4.689  -7.775
  177   2HZ   LYS  27          HZ2       LYS  27  57.590   3.501  -8.853
  178   3HZ   LYS  27          HZ3       LYS  27  58.827   3.153  -7.753
  179    H    CYS  28           HN       CYS  28  57.372   3.711  -2.586
  180    HA   CYS  28           HA       CYS  28  57.001   4.166   0.234
  181   1HB   CYS  28          HB2       CYS  28  58.346   2.176  -1.475
  182   2HB   CYS  28          HB1       CYS  28  59.207   2.556   0.011
  183    H    ARG  29           HN       ARG  29  58.123   5.618   1.365
  184    HA   ARG  29           HA       ARG  29  60.260   7.082   0.071
  185   1HB   ARG  29          HB2       ARG  29  58.627   8.338   1.334
  186   2HB   ARG  29          HB1       ARG  29  58.941   7.376   2.771
  187   1HG   ARG  29          HG2       ARG  29  61.199   8.282   2.889
  188   2HG   ARG  29          HG1       ARG  29  60.886   9.247   1.444
  189   1HD   ARG  29          HD2       ARG  29  59.632  10.757   2.566
  190   2HD   ARG  29          HD1       ARG  29  58.936   9.540   3.634
  191    HE   ARG  29           HE       ARG  29  61.168  11.202   4.185
  192   1HH1  ARG  29          HH11      ARG  29  59.911   7.992   4.732
  193   2HH1  ARG  29          HH12      ARG  29  60.771   7.774   6.219
  194   1HH2  ARG  29          HH21      ARG  29  62.303  10.914   6.137
  195   2HH2  ARG  29          HH22      ARG  29  62.130   9.431   7.016
  196    H    CYS  30           HN       CYS  30  61.833   5.425  -0.072
  197    HA   CYS  30           HA       CYS  30  62.909   4.446   2.461
  198   1HB   CYS  30          HB2       CYS  30  64.455   3.146   0.766
  199   2HB   CYS  30          HB1       CYS  30  62.827   2.597   1.118
  200    H    HIS  31           HN       HIS  31  64.931   4.823   3.172
  201    HA   HIS  31           HA       HIS  31  66.120   7.289   2.531
  202   1HB   HIS  31          HB2       HIS  31  67.706   5.118   3.856
  203   2HB   HIS  31          HB1       HIS  31  67.651   6.839   4.220
  204    HD1  HIS  31           HD1      HIS  31  64.439   6.865   4.434
  205    HD2  HIS  31           HD2      HIS  31  67.060   4.352   6.456
  206    HE1  HIS  31           HE1      HIS  31  63.181   6.081   6.470
  207    HE2  HIS  31           HE2      HIS  31  64.763   4.502   7.634
  208    HA   PRO  32           HA       PRO  32  68.781   6.587  -0.885
  209   1HB   PRO  32          HB2       PRO  32  71.042   7.703   0.654
  210   2HB   PRO  32          HB1       PRO  32  70.335   8.256  -0.867
  211   1HG   PRO  32          HG2       PRO  32  69.932   9.610   1.399
  212   2HG   PRO  32          HG1       PRO  32  68.643   9.437   0.193
  213   1HD   PRO  32          HD2       PRO  32  69.019   7.985   2.781
  214   2HD   PRO  32          HD1       PRO  32  67.529   8.604   2.038
  215    H    GLY  33           HN       GLY  33  69.297   4.648  -1.376
  216   1HA   GLY  33          HA2       GLY  33  71.162   3.143  -1.588
  217   2HA   GLY  33          HA1       GLY  33  71.457   3.332   0.131
  218    H    PHE  34           HN       PHE  34  68.298   2.849  -1.362
  219    HA   PHE  34           HA       PHE  34  68.243   0.107  -0.314
  220   1HB   PHE  34          HB2       PHE  34  66.220   2.282   0.218
  221   2HB   PHE  34          HB1       PHE  34  65.865   0.574   0.446
  222    HD1  PHE  34           HD1      PHE  34  66.263   3.205   2.338
  223    HD2  PHE  34           HD2      PHE  34  68.343  -0.434   1.608
  224    HE1  PHE  34           HE1      PHE  34  67.233   3.312   4.597
  225    HE2  PHE  34           HE2      PHE  34  69.317  -0.335   3.865
  226    HZ   PHE  34           HZ       PHE  34  68.762   1.539   5.363
  227    H    GLU  35           HN       GLU  35  66.873  -1.324  -1.394
  228    HA   GLU  35           HA       GLU  35  65.236  -0.400  -3.577
  229   1HB   GLU  35          HB2       GLU  35  67.931  -1.475  -4.023
  230   2HB   GLU  35          HB1       GLU  35  66.682  -2.295  -4.949
  231   1HG   GLU  35          HG2       GLU  35  66.404  -0.566  -6.326
  232   2HG   GLU  35          HG1       GLU  35  66.460   0.611  -5.014
  233    H    GLY  36           HN       GLY  36  66.817  -3.576  -3.279
  234   1HA   GLY  36          HA2       GLY  36  65.880  -5.673  -3.004
  235   2HA   GLY  36          HA1       GLY  36  64.919  -4.895  -1.749
  236    H    SER  37           HN       SER  37  63.157  -6.310  -2.292
  237    HA   SER  37           HA       SER  37  61.966  -6.146  -4.911
  238   1HB   SER  37          HB2       SER  37  60.969  -7.292  -2.287
  239   2HB   SER  37          HB1       SER  37  60.055  -7.367  -3.793
  240    HG   SER  37           HG       SER  37  61.527  -9.208  -3.153
  241    H    ALA  38           HN       ALA  38  62.133  -4.254  -2.191
  242    HA   ALA  38           HA       ALA  38  59.962  -2.506  -3.080
  243   1HB   ALA  38          HB1       ALA  38  59.963  -2.142  -0.394
  244   2HB   ALA  38          HB2       ALA  38  60.243  -3.880  -0.512
  245   3HB   ALA  38          HB3       ALA  38  58.816  -3.161  -1.262
  246    H    CYS  39           HN       CYS  39  61.990  -2.427  -0.219
  247    HA   CYS  39           HA       CYS  39  63.882  -0.653  -1.359
  248   1HB   CYS  39          HB2       CYS  39  61.817   0.386   0.546
  249   2HB   CYS  39          HB1       CYS  39  63.423   1.097   0.484
  250    H    GLN  40           HN       GLN  40  64.224  -3.134  -0.259
  251    HA   GLN  40           HA       GLN  40  65.191  -2.701   2.473
  252   1HB   GLN  40          HB2       GLN  40  65.206  -5.069   2.739
  253   2HB   GLN  40          HB1       GLN  40  63.693  -4.651   1.948
  254   1HG   GLN  40          HG2       GLN  40  65.709  -5.201  -0.017
  255   2HG   GLN  40          HG1       GLN  40  65.607  -6.527   1.128
  256   1HE2  GLN  40          HE21      GLN  40  63.063  -4.365   0.024
  257   2HE2  GLN  40          HE22      GLN  40  62.106  -5.581  -0.727
  258    H    ALA  41           HN       ALA  41  66.367  -3.549  -0.726
  259    HA   ALA  41           HA       ALA  41  69.054  -3.995   0.312
  260   1HB   ALA  41          HB1       ALA  41  68.639  -4.074  -2.590
  261   2HB   ALA  41          HB2       ALA  41  67.674  -5.222  -1.663
  262   3HB   ALA  41          HB3       ALA  41  69.432  -5.230  -1.520
  Start of MODEL   12
    1   1H    GLU   1          HT1       GLU   1  48.662   9.032  -7.058
    2   2H    GLU   1          HT2       GLU   1  50.280   8.464  -6.976
    3   3H    GLU   1          HT3       GLU   1  49.934   9.972  -7.719
    4    HA   GLU   1           HA       GLU   1  50.892  10.161  -5.510
    5   1HB   GLU   1          HB2       GLU   1  49.424  11.934  -4.880
    6   2HB   GLU   1          HB1       GLU   1  49.383  11.839  -6.634
    7   1HG   GLU   1          HG2       GLU   1  47.294  10.347  -6.245
    8   2HG   GLU   1          HG1       GLU   1  47.282  11.101  -4.651
    9    H    CYS   2           HN       CYS   2  49.151  10.729  -3.349
   10    HA   CYS   2           HA       CYS   2  49.287   8.482  -1.789
   11   1HB   CYS   2          HB2       CYS   2  46.958   9.860  -0.917
   12   2HB   CYS   2          HB1       CYS   2  48.570   9.907  -0.246
   13    H    ASP   3           HN       ASP   3  47.017   9.241  -4.126
   14    HA   ASP   3           HA       ASP   3  44.766   7.778  -3.599
   15   1HB   ASP   3          HB2       ASP   3  45.373   9.260  -5.608
   16   2HB   ASP   3          HB1       ASP   3  46.019   7.790  -6.327
   17    H    THR   4           HN       THR   4  45.620   6.076  -6.226
   18    HA   THR   4           HA       THR   4  45.865   3.613  -4.741
   19    HB   THR   4           HB       THR   4  45.852   2.623  -7.110
   20    HG1  THR   4           HG1      THR   4  46.447   4.715  -8.056
   21   1HG2  THR   4          HG21      THR   4  43.827   2.834  -5.632
   22   2HG2  THR   4          HG22      THR   4  43.519   2.772  -7.368
   23   3HG2  THR   4          HG23      THR   4  43.447   4.313  -6.514
   24    H    ILE   5           HN       ILE   5  47.887   3.624  -3.861
   25    HA   ILE   5           HA       ILE   5  50.053   2.908  -5.601
   26    HB   ILE   5           HB       ILE   5  51.616   4.558  -4.910
   27   1HG1  ILE   5          HG12      ILE   5  51.204   5.227  -2.730
   28   2HG1  ILE   5          HG11      ILE   5  50.642   6.622  -3.631
   29   1HG2  ILE   5          HG21      ILE   5  49.082   5.967  -5.720
   30   2HG2  ILE   5          HG22      ILE   5  50.153   5.092  -6.814
   31   3HG2  ILE   5          HG23      ILE   5  50.730   6.535  -5.981
   32   1HD1  ILE   5          HD11      ILE   5  48.938   4.463  -2.432
   33   2HD1  ILE   5          HD12      ILE   5  48.341   5.773  -3.447
   34   3HD1  ILE   5          HD13      ILE   5  49.087   6.134  -1.891
   35    H    ASN   6           HN       ASN   6  49.339   1.096  -4.349
   36    HA   ASN   6           HA       ASN   6  49.908   1.068  -1.539
   37   1HB   ASN   6          HB2       ASN   6  48.491  -0.550  -3.487
   38   2HB   ASN   6          HB1       ASN   6  49.361  -1.517  -2.299
   39   1HD2  ASN   6          HD21      ASN   6  47.689   1.590  -2.145
   40   2HD2  ASN   6          HD22      ASN   6  46.616   1.156  -0.862
   41    H    CYS   7           HN       CYS   7  51.541   0.197  -0.503
   42    HA   CYS   7           HA       CYS   7  54.052  -0.036  -1.645
   43   1HB   CYS   7          HB2       CYS   7  52.839  -0.584   0.980
   44   2HB   CYS   7          HB1       CYS   7  54.327  -1.467   0.655
   45    H    GLU   8           HN       GLU   8  55.513  -1.794  -1.679
   46    HA   GLU   8           HA       GLU   8  54.315  -4.294  -2.631
   47   1HB   GLU   8          HB2       GLU   8  57.147  -3.205  -2.768
   48   2HB   GLU   8          HB1       GLU   8  56.682  -4.801  -3.338
   49   1HG   GLU   8          HG2       GLU   8  54.936  -2.904  -4.524
   50   2HG   GLU   8          HG1       GLU   8  56.593  -2.335  -4.722
   51    H    ARG   9           HN       ARG   9  55.636  -6.324  -1.854
   52    HA   ARG   9           HA       ARG   9  56.399  -5.863   0.941
   53   1HB   ARG   9          HB2       ARG   9  55.035  -8.368   0.043
   54   2HB   ARG   9          HB1       ARG   9  55.371  -7.835   1.684
   55   1HG   ARG   9          HG2       ARG   9  53.437  -6.783   1.786
   56   2HG   ARG   9          HG1       ARG   9  53.813  -5.861   0.331
   57   1HD   ARG   9          HD2       ARG   9  51.719  -7.223   0.187
   58   2HD   ARG   9          HD1       ARG   9  52.907  -7.563  -1.072
   59    HE   ARG   9           HE       ARG   9  53.017  -9.283   1.258
   60   1HH1  ARG   9          HH11      ARG   9  51.779  -8.828  -1.976
   61   2HH1  ARG   9          HH12      ARG   9  51.501 -10.515  -2.239
   62   1HH2  ARG   9          HH21      ARG   9  52.651 -11.501   0.910
   63   2HH2  ARG   9          HH22      ARG   9  51.995 -12.033  -0.602
   64    H    TYR  10           HN       TYR  10  58.191  -6.510   1.558
   65    HA   TYR  10           HA       TYR  10  59.912  -8.046  -0.188
   66   1HB   TYR  10          HB2       TYR  10  61.734  -7.174   1.066
   67   2HB   TYR  10          HB1       TYR  10  60.592  -5.853   0.904
   68    HD1  TYR  10           HD1      TYR  10  62.784  -7.191   3.080
   69    HD2  TYR  10           HD2      TYR  10  58.688  -6.099   2.907
   70    HE1  TYR  10           HE1      TYR  10  62.757  -6.905   5.517
   71    HE2  TYR  10           HE2      TYR  10  58.636  -5.814   5.320
   72    HH   TYR  10           HH       TYR  10  60.977  -7.009   7.366
   73    H    ASN  11           HN       ASN  11  58.395  -8.224   2.858
   74    HA   ASN  11           HA       ASN  11  58.812 -11.069   3.020
   75   1HB   ASN  11          HB2       ASN  11  60.864 -10.185   4.071
   76   2HB   ASN  11          HB1       ASN  11  59.879  -9.285   5.220
   77   1HD2  ASN  11          HD21      ASN  11  60.545 -12.546   4.048
   78   2HD2  ASN  11          HD22      ASN  11  60.254 -13.340   5.554
   79    H    GLY  12           HN       GLY  12  58.094  -8.621   5.506
   80   1HA   GLY  12          HA2       GLY  12  55.269  -9.295   5.445
   81   2HA   GLY  12          HA1       GLY  12  56.128  -9.800   6.891
   82    H    GLN  13           HN       GLN  13  57.090  -6.895   5.255
   83    HA   GLN  13           HA       GLN  13  55.611  -5.253   7.191
   84   1HB   GLN  13          HB2       GLN  13  58.487  -4.655   6.535
   85   2HB   GLN  13          HB1       GLN  13  57.500  -4.006   7.841
   86   1HG   GLN  13          HG2       GLN  13  58.229  -6.911   7.695
   87   2HG   GLN  13          HG1       GLN  13  59.265  -5.711   8.464
   88   1HE2  GLN  13          HE21      GLN  13  56.986  -7.961   9.051
   89   2HE2  GLN  13          HE22      GLN  13  56.322  -7.344  10.522
   90    H    VAL  14           HN       VAL  14  55.751  -5.905   4.166
   91    HA   VAL  14           HA       VAL  14  55.612  -4.846   2.162
   92    HB   VAL  14           HB       VAL  14  54.117  -2.804   2.218
   93   1HG1  VAL  14          HG11      VAL  14  52.181  -4.234   3.268
   94   2HG1  VAL  14          HG12      VAL  14  53.415  -5.494   3.274
   95   3HG1  VAL  14          HG13      VAL  14  52.953  -4.719   1.759
   96   1HG2  VAL  14          HG21      VAL  14  54.741  -2.054   4.492
   97   2HG2  VAL  14          HG22      VAL  14  53.923  -3.468   5.153
   98   3HG2  VAL  14          HG23      VAL  14  53.002  -2.242   4.283
   99    H    CYS  15           HN       CYS  15  57.435  -4.142   1.284
  100    HA   CYS  15           HA       CYS  15  58.863  -2.605   0.408
  101   1HB   CYS  15          HB2       CYS  15  56.964  -0.939   1.666
  102   2HB   CYS  15          HB1       CYS  15  58.547  -0.330   2.110
  103    H    GLY  16           HN       GLY  16  59.623  -4.372   2.522
  104   1HA   GLY  16          HA2       GLY  16  61.313  -4.687   4.048
  105   2HA   GLY  16          HA1       GLY  16  62.176  -3.535   3.068
  106    H    GLY  17           HN       GLY  17  59.369  -3.231   5.235
  107   1HA   GLY  17          HA2       GLY  17  58.986  -1.904   7.062
  108   2HA   GLY  17          HA1       GLY  17  60.705  -2.038   7.387
  109    HA   PRO  18           HA       PRO  18  59.362   2.290   5.747
  110   1HB   PRO  18          HB2       PRO  18  58.896   3.603   8.079
  111   2HB   PRO  18          HB1       PRO  18  57.622   2.807   7.151
  112   1HG   PRO  18          HG2       PRO  18  59.098   1.831   9.566
  113   2HG   PRO  18          HG1       PRO  18  57.369   1.716   9.188
  114   1HD   PRO  18          HD2       PRO  18  59.075  -0.361   8.855
  115   2HD   PRO  18          HD1       PRO  18  57.663  -0.108   7.809
  116    H    GLY  19           HN       GLY  19  61.220   1.175   8.517
  117   1HA   GLY  19          HA2       GLY  19  62.895   3.305   9.012
  118   2HA   GLY  19          HA1       GLY  19  63.397   1.623   9.127
  119    H    ARG  20           HN       ARG  20  63.082   0.959   6.394
  120    HA   ARG  20           HA       ARG  20  65.437   2.298   5.301
  121   1HB   ARG  20          HB2       ARG  20  64.021  -0.226   4.424
  122   2HB   ARG  20          HB1       ARG  20  65.519   0.387   3.750
  123   1HG   ARG  20          HG2       ARG  20  66.395  -1.097   5.185
  124   2HG   ARG  20          HG1       ARG  20  66.254   0.263   6.296
  125   1HD   ARG  20          HD2       ARG  20  65.165  -1.217   7.570
  126   2HD   ARG  20          HD1       ARG  20  63.802  -0.827   6.534
  127    HE   ARG  20           HE       ARG  20  63.987  -2.897   5.532
  128   1HH1  ARG  20          HH11      ARG  20  66.719  -2.357   7.639
  129   2HH1  ARG  20          HH12      ARG  20  67.221  -4.014   7.615
  130   1HH2  ARG  20          HH21      ARG  20  64.649  -5.077   5.505
  131   2HH2  ARG  20          HH22      ARG  20  66.051  -5.556   6.401
  132    H    GLY  21           HN       GLY  21  62.134   1.374   4.436
  133   1HA   GLY  21          HA2       GLY  21  61.895   3.708   2.745
  134   2HA   GLY  21          HA1       GLY  21  61.820   2.177   1.887
  135    H    LEU  22           HN       LEU  22  59.816   4.359   2.438
  136    HA   LEU  22           HA       LEU  22  57.621   2.600   3.135
  137   1HB   LEU  22          HB2       LEU  22  57.159   3.413   5.144
  138   2HB   LEU  22          HB1       LEU  22  58.754   4.135   5.106
  139    HG   LEU  22           HG       LEU  22  56.573   5.675   3.872
  140   1HD1  LEU  22          HD11      LEU  22  55.239   5.383   5.665
  141   2HD1  LEU  22          HD12      LEU  22  56.336   6.546   6.412
  142   3HD1  LEU  22          HD13      LEU  22  56.563   4.818   6.682
  143   1HD2  LEU  22          HD21      LEU  22  57.969   7.308   5.546
  144   2HD2  LEU  22          HD22      LEU  22  58.372   7.018   3.854
  145   3HD2  LEU  22          HD23      LEU  22  59.183   6.102   5.123
  146    H    CYS  23           HN       CYS  23  55.839   2.993   1.988
  147    HA   CYS  23           HA       CYS  23  55.864   5.349   0.259
  148   1HB   CYS  23          HB2       CYS  23  54.292   4.194  -1.153
  149   2HB   CYS  23          HB1       CYS  23  55.600   3.081  -0.773
  150    H    PHE  24           HN       PHE  24  53.902   6.543  -0.148
  151    HA   PHE  24           HA       PHE  24  51.762   6.182   1.782
  152   1HB   PHE  24          HB2       PHE  24  52.221   8.846   2.311
  153   2HB   PHE  24          HB1       PHE  24  52.590   7.504   3.378
  154    HD1  PHE  24           HD1      PHE  24  54.317   8.687   0.276
  155    HD2  PHE  24           HD2      PHE  24  54.502   8.041   4.477
  156    HE1  PHE  24           HE1      PHE  24  56.714   9.257   0.262
  157    HE2  PHE  24           HE2      PHE  24  56.892   8.610   4.473
  158    HZ   PHE  24           HZ       PHE  24  58.003   9.211   2.366
  159    H    CYS  25           HN       CYS  25  52.481   9.359   0.595
  160    HA   CYS  25           HA       CYS  25  50.087   9.226  -1.037
  161   1HB   CYS  25          HB2       CYS  25  50.155  11.049   0.499
  162   2HB   CYS  25          HB1       CYS  25  51.781  11.495  -0.016
  163    H    GLY  26           HN       GLY  26  51.234   7.818  -2.533
  164   1HA   GLY  26          HA2       GLY  26  51.622   8.477  -4.959
  165   2HA   GLY  26          HA1       GLY  26  53.026   9.312  -4.317
  166    H    LYS  27           HN       LYS  27  54.458   7.781  -2.886
  167    HA   LYS  27           HA       LYS  27  54.468   5.037  -3.831
  168   1HB   LYS  27          HB2       LYS  27  56.132   7.148  -4.923
  169   2HB   LYS  27          HB1       LYS  27  57.041   5.743  -4.386
  170   1HG   LYS  27          HG2       LYS  27  55.831   4.303  -5.853
  171   2HG   LYS  27          HG1       LYS  27  54.688   5.585  -6.255
  172   1HD   LYS  27          HD2       LYS  27  57.040   6.757  -6.928
  173   2HD   LYS  27          HD1       LYS  27  57.393   5.066  -7.288
  174   1HE   LYS  27          HE2       LYS  27  54.880   5.397  -8.342
  175   2HE   LYS  27          HE1       LYS  27  55.640   6.955  -8.662
  176   1HZ   LYS  27          HZ1       LYS  27  57.109   6.048 -10.099
  177   2HZ   LYS  27          HZ2       LYS  27  55.892   4.889 -10.280
  178   3HZ   LYS  27          HZ3       LYS  27  57.211   4.577  -9.270
  179    H    CYS  28           HN       CYS  28  56.827   4.126  -3.256
  180    HA   CYS  28           HA       CYS  28  57.077   4.389  -0.385
  181   1HB   CYS  28          HB2       CYS  28  57.231   2.220  -1.973
  182   2HB   CYS  28          HB1       CYS  28  58.938   2.641  -1.878
  183    H    ARG  29           HN       ARG  29  58.220   6.004   0.354
  184    HA   ARG  29           HA       ARG  29  60.449   7.081  -1.135
  185   1HB   ARG  29          HB2       ARG  29  59.267   8.805  -0.148
  186   2HB   ARG  29          HB1       ARG  29  58.886   7.864   1.282
  187   1HG   ARG  29          HG2       ARG  29  60.452   9.827   1.576
  188   2HG   ARG  29          HG1       ARG  29  60.970   8.287   2.257
  189   1HD   ARG  29          HD2       ARG  29  62.716   8.102   0.835
  190   2HD   ARG  29          HD1       ARG  29  61.825   8.802  -0.515
  191    HE   ARG  29           HE       ARG  29  63.496  10.193   1.383
  192   1HH1  ARG  29          HH11      ARG  29  60.936  10.495  -0.970
  193   2HH1  ARG  29          HH12      ARG  29  61.238  12.174  -1.268
  194   1HH2  ARG  29          HH21      ARG  29  63.893  12.402   0.995
  195   2HH2  ARG  29          HH22      ARG  29  62.917  13.257  -0.153
  196    H    CYS  30           HN       CYS  30  61.956   5.464  -1.123
  197    HA   CYS  30           HA       CYS  30  62.881   4.420   1.430
  198   1HB   CYS  30          HB2       CYS  30  64.305   3.590  -1.014
  199   2HB   CYS  30          HB1       CYS  30  63.696   2.627   0.318
  200    H    HIS  31           HN       HIS  31  64.728   4.930   2.378
  201    HA   HIS  31           HA       HIS  31  66.060   7.318   1.645
  202   1HB   HIS  31          HB2       HIS  31  67.313   5.366   3.535
  203   2HB   HIS  31          HB1       HIS  31  67.211   7.120   3.644
  204    HD1  HIS  31           HD1      HIS  31  64.049   7.225   3.270
  205    HD2  HIS  31           HD2      HIS  31  66.124   4.856   5.981
  206    HE1  HIS  31           HE1      HIS  31  62.394   6.682   5.092
  207    HE2  HIS  31           HE2      HIS  31  63.707   5.336   6.771
  208    HA   PRO  32           HA       PRO  32  69.298   6.125  -1.060
  209   1HB   PRO  32          HB2       PRO  32  71.270   7.425   0.721
  210   2HB   PRO  32          HB1       PRO  32  70.876   7.775  -0.964
  211   1HG   PRO  32          HG2       PRO  32  70.103   9.421   0.992
  212   2HG   PRO  32          HG1       PRO  32  69.056   9.100  -0.403
  213   1HD   PRO  32          HD2       PRO  32  68.902   7.995   2.374
  214   2HD   PRO  32          HD1       PRO  32  67.594   8.529   1.298
  215    H    GLY  33           HN       GLY  33  69.921   4.173  -1.235
  216   1HA   GLY  33          HA2       GLY  33  71.672   2.604  -0.895
  217   2HA   GLY  33          HA1       GLY  33  71.718   3.053   0.800
  218    H    PHE  34           HN       PHE  34  69.032   2.124  -1.347
  219    HA   PHE  34           HA       PHE  34  68.637  -0.311   0.204
  220   1HB   PHE  34          HB2       PHE  34  66.654   1.948   0.055
  221   2HB   PHE  34          HB1       PHE  34  66.146   0.295   0.382
  222    HD1  PHE  34           HD1      PHE  34  66.647   3.221   1.956
  223    HD2  PHE  34           HD2      PHE  34  67.993  -0.809   2.187
  224    HE1  PHE  34           HE1      PHE  34  67.187   3.543   4.334
  225    HE2  PHE  34           HE2      PHE  34  68.532  -0.496   4.567
  226    HZ   PHE  34           HZ       PHE  34  68.131   1.683   5.643
  227    H    GLU  35           HN       GLU  35  67.395  -1.895  -0.838
  228    HA   GLU  35           HA       GLU  35  66.255  -1.353  -3.434
  229   1HB   GLU  35          HB2       GLU  35  68.847  -2.788  -3.093
  230   2HB   GLU  35          HB1       GLU  35  67.724  -3.395  -4.300
  231   1HG   GLU  35          HG2       GLU  35  67.698  -1.220  -5.390
  232   2HG   GLU  35          HG1       GLU  35  68.796  -0.585  -4.165
  233    H    GLY  36           HN       GLY  36  67.557  -4.432  -2.211
  234   1HA   GLY  36          HA2       GLY  36  66.466  -6.435  -1.813
  235   2HA   GLY  36          HA1       GLY  36  65.399  -5.423  -0.844
  236    H    SER  37           HN       SER  37  63.671  -6.892  -1.389
  237    HA   SER  37           HA       SER  37  62.819  -7.113  -4.131
  238   1HB   SER  37          HB2       SER  37  62.088  -8.296  -1.602
  239   2HB   SER  37          HB1       SER  37  60.643  -7.685  -2.407
  240    HG   SER  37           HG       SER  37  62.492  -9.616  -3.300
  241    H    ALA  38           HN       ALA  38  62.718  -4.830  -1.717
  242    HA   ALA  38           HA       ALA  38  60.769  -3.181  -3.148
  243   1HB   ALA  38          HB1       ALA  38  60.417  -2.393  -0.586
  244   2HB   ALA  38          HB2       ALA  38  60.656  -4.128  -0.378
  245   3HB   ALA  38          HB3       ALA  38  59.368  -3.535  -1.427
  246    H    CYS  39           HN       CYS  39  62.398  -2.687  -0.080
  247    HA   CYS  39           HA       CYS  39  64.512  -1.180  -1.217
  248   1HB   CYS  39          HB2       CYS  39  62.392   0.259   0.372
  249   2HB   CYS  39          HB1       CYS  39  63.988   0.918   0.046
  250    H    GLN  40           HN       GLN  40  64.588  -3.450   0.300
  251    HA   GLN  40           HA       GLN  40  65.197  -2.619   3.041
  252   1HB   GLN  40          HB2       GLN  40  65.124  -4.926   3.639
  253   2HB   GLN  40          HB1       GLN  40  63.743  -4.612   2.599
  254   1HG   GLN  40          HG2       GLN  40  65.970  -5.447   1.011
  255   2HG   GLN  40          HG1       GLN  40  65.708  -6.594   2.313
  256   1HE2  GLN  40          HE21      GLN  40  63.356  -4.617   0.602
  257   2HE2  GLN  40          HE22      GLN  40  62.476  -5.932  -0.077
  258    H    ALA  41           HN       ALA  41  66.783  -3.914   0.187
  259    HA   ALA  41           HA       ALA  41  69.288  -4.223   1.645
  260   1HB   ALA  41          HB1       ALA  41  68.160  -5.698  -0.336
  261   2HB   ALA  41          HB2       ALA  41  69.871  -5.721   0.089
  262   3HB   ALA  41          HB3       ALA  41  69.307  -4.711  -1.242
  Start of MODEL   13
    1   1H    GLU   1          HT1       GLU   1  45.746  13.407  -5.309
    2   2H    GLU   1          HT2       GLU   1  45.780  11.705  -5.085
    3   3H    GLU   1          HT3       GLU   1  47.112  12.667  -4.585
    4    HA   GLU   1           HA       GLU   1  45.972  13.585  -2.844
    5   1HB   GLU   1          HB2       GLU   1  43.539  13.309  -2.581
    6   2HB   GLU   1          HB1       GLU   1  43.940  14.110  -4.094
    7   1HG   GLU   1          HG2       GLU   1  43.423  12.214  -5.366
    8   2HG   GLU   1          HG1       GLU   1  43.444  11.157  -3.954
    9    H    CYS   2           HN       CYS   2  47.238  10.992  -3.517
   10    HA   CYS   2           HA       CYS   2  47.721   9.021  -2.498
   11   1HB   CYS   2          HB2       CYS   2  46.037   9.618  -0.118
   12   2HB   CYS   2          HB1       CYS   2  47.668   8.983  -0.205
   13    H    ASP   3           HN       ASP   3  46.905   7.169  -3.166
   14    HA   ASP   3           HA       ASP   3  44.140   6.454  -2.581
   15   1HB   ASP   3          HB2       ASP   3  44.487   7.692  -4.878
   16   2HB   ASP   3          HB1       ASP   3  45.064   6.115  -5.403
   17    H    THR   4           HN       THR   4  44.671   4.405  -4.888
   18    HA   THR   4           HA       THR   4  45.733   2.357  -3.171
   19    HB   THR   4           HB       THR   4  45.294   0.955  -5.321
   20    HG1  THR   4           HG1      THR   4  45.057   2.624  -6.783
   21   1HG2  THR   4          HG21      THR   4  43.781   1.249  -3.211
   22   2HG2  THR   4          HG22      THR   4  43.163   0.469  -4.667
   23   3HG2  THR   4          HG23      THR   4  42.762   2.153  -4.331
   24    H    ILE   5           HN       ILE   5  47.826   2.331  -2.972
   25    HA   ILE   5           HA       ILE   5  49.527   1.985  -5.274
   26    HB   ILE   5           HB       ILE   5  51.115   3.723  -4.536
   27   1HG1  ILE   5          HG12      ILE   5  49.726   3.813  -2.236
   28   2HG1  ILE   5          HG11      ILE   5  50.739   5.134  -2.791
   29   1HG2  ILE   5          HG21      ILE   5  49.946   5.586  -5.582
   30   2HG2  ILE   5          HG22      ILE   5  48.402   4.772  -5.329
   31   3HG2  ILE   5          HG23      ILE   5  49.595   4.080  -6.429
   32   1HD1  ILE   5          HD11      ILE   5  48.258   5.496  -1.966
   33   2HD1  ILE   5          HD12      ILE   5  47.908   5.122  -3.654
   34   3HD1  ILE   5          HD13      ILE   5  48.967   6.473  -3.252
   35    H    ASN   6           HN       ASN   6  49.227   0.029  -3.922
   36    HA   ASN   6           HA       ASN   6  50.689  -0.077  -1.452
   37   1HB   ASN   6          HB2       ASN   6  48.838  -1.769  -2.972
   38   2HB   ASN   6          HB1       ASN   6  50.059  -2.651  -2.057
   39   1HD2  ASN   6          HD21      ASN   6  48.369   0.376  -1.410
   40   2HD2  ASN   6          HD22      ASN   6  47.676  -0.120   0.093
   41    H    CYS   7           HN       CYS   7  52.717   0.493  -2.116
   42    HA   CYS   7           HA       CYS   7  54.310  -0.362  -4.123
   43   1HB   CYS   7          HB2       CYS   7  55.060   0.154  -1.245
   44   2HB   CYS   7          HB1       CYS   7  56.224   0.013  -2.554
   45    H    GLU   8           HN       GLU   8  56.351  -1.739  -3.850
   46    HA   GLU   8           HA       GLU   8  55.564  -4.462  -3.589
   47   1HB   GLU   8          HB2       GLU   8  58.380  -3.385  -3.753
   48   2HB   GLU   8          HB1       GLU   8  57.832  -4.994  -4.194
   49   1HG   GLU   8          HG2       GLU   8  56.280  -3.384  -5.778
   50   2HG   GLU   8          HG1       GLU   8  57.817  -2.522  -5.733
   51    H    ARG   9           HN       ARG   9  55.756  -5.825  -1.896
   52    HA   ARG   9           HA       ARG   9  56.913  -4.719   0.561
   53   1HB   ARG   9          HB2       ARG   9  55.184  -7.172   0.284
   54   2HB   ARG   9          HB1       ARG   9  55.645  -6.355   1.771
   55   1HG   ARG   9          HG2       ARG   9  53.977  -4.904   1.609
   56   2HG   ARG   9          HG1       ARG   9  54.310  -4.581  -0.093
   57   1HD   ARG   9          HD2       ARG   9  52.348  -5.611  -0.459
   58   2HD   ARG   9          HD1       ARG   9  53.262  -7.094  -0.203
   59    HE   ARG   9           HE       ARG   9  52.351  -7.268   1.951
   60   1HH1  ARG   9          HH11      ARG   9  51.147  -4.452   0.261
   61   2HH1  ARG   9          HH12      ARG   9  49.818  -4.223   1.345
   62   1HH2  ARG   9          HH21      ARG   9  50.606  -6.954   3.374
   63   2HH2  ARG   9          HH22      ARG   9  49.511  -5.638   3.110
   64    H    TYR  10           HN       TYR  10  58.599  -5.474   1.500
   65    HA   TYR  10           HA       TYR  10  60.092  -7.580   0.204
   66   1HB   TYR  10          HB2       TYR  10  61.942  -6.907   1.491
   67   2HB   TYR  10          HB1       TYR  10  61.082  -5.428   1.113
   68    HD1  TYR  10           HD1      TYR  10  62.989  -6.624   3.500
   69    HD2  TYR  10           HD2      TYR  10  58.961  -5.336   3.081
   70    HE1  TYR  10           HE1      TYR  10  62.947  -5.986   5.866
   71    HE2  TYR  10           HE2      TYR  10  58.904  -4.713   5.443
   72    HH   TYR  10           HH       TYR  10  61.722  -4.544   7.376
   73    H    ASN  11           HN       ASN  11  58.288  -7.165   3.058
   74    HA   ASN  11           HA       ASN  11  58.208 -10.001   3.533
   75   1HB   ASN  11          HB2       ASN  11  59.703  -8.148   5.347
   76   2HB   ASN  11          HB1       ASN  11  58.818  -9.498   6.052
   77   1HD2  ASN  11          HD21      ASN  11  59.311 -11.648   5.188
   78   2HD2  ASN  11          HD22      ASN  11  60.933 -11.986   4.697
   79    H    GLY  12           HN       GLY  12  57.729  -7.485   5.951
   80   1HA   GLY  12          HA2       GLY  12  54.837  -8.061   5.881
   81   2HA   GLY  12          HA1       GLY  12  55.718  -7.486   7.292
   82    H    GLN  13           HN       GLN  13  57.196  -5.663   5.302
   83    HA   GLN  13           HA       GLN  13  55.170  -3.532   5.296
   84   1HB   GLN  13          HB2       GLN  13  58.187  -3.295   5.221
   85   2HB   GLN  13          HB1       GLN  13  57.059  -1.965   5.366
   86   1HG   GLN  13          HG2       GLN  13  57.361  -4.178   7.381
   87   2HG   GLN  13          HG1       GLN  13  58.101  -2.588   7.511
   88   1HE2  GLN  13          HE21      GLN  13  56.085  -0.947   6.689
   89   2HE2  GLN  13          HE22      GLN  13  54.759  -1.048   7.790
   90    H    VAL  14           HN       VAL  14  55.180  -2.075   3.418
   91    HA   VAL  14           HA       VAL  14  55.692  -3.616   1.017
   92    HB   VAL  14           HB       VAL  14  54.218  -2.208  -0.152
   93   1HG1  VAL  14          HG11      VAL  14  52.366  -1.874   1.805
   94   2HG1  VAL  14          HG12      VAL  14  53.419  -3.093   2.522
   95   3HG1  VAL  14          HG13      VAL  14  52.672  -3.388   0.953
   96   1HG2  VAL  14          HG21      VAL  14  53.756  -0.257   2.012
   97   2HG2  VAL  14          HG22      VAL  14  53.795  -0.033   0.264
   98   3HG2  VAL  14          HG23      VAL  14  55.299  -0.130   1.173
   99    H    CYS  15           HN       CYS  15  57.932  -2.409   2.410
  100    HA   CYS  15           HA       CYS  15  59.205  -1.344   0.106
  101   1HB   CYS  15          HB2       CYS  15  58.858   0.502   2.471
  102   2HB   CYS  15          HB1       CYS  15  59.831   0.831   1.062
  103    H    GLY  16           HN       GLY  16  59.929  -3.535   1.574
  104   1HA   GLY  16          HA2       GLY  16  61.775  -4.379   2.696
  105   2HA   GLY  16          HA1       GLY  16  62.601  -2.924   2.227
  106    H    GLY  17           HN       GLY  17  59.730  -2.445   4.022
  107   1HA   GLY  17          HA2       GLY  17  59.354  -2.131   6.304
  108   2HA   GLY  17          HA1       GLY  17  61.048  -2.404   6.613
  109    HA   PRO  18           HA       PRO  18  59.625   2.262   6.215
  110   1HB   PRO  18          HB2       PRO  18  59.444   2.771   8.933
  111   2HB   PRO  18          HB1       PRO  18  58.073   2.509   7.851
  112   1HG   PRO  18          HG2       PRO  18  59.419   0.596   9.705
  113   2HG   PRO  18          HG1       PRO  18  57.695   0.771   9.328
  114   1HD   PRO  18          HD2       PRO  18  59.172  -1.208   8.281
  115   2HD   PRO  18          HD1       PRO  18  57.879  -0.424   7.349
  116    H    GLY  19           HN       GLY  19  61.577   0.653   8.732
  117   1HA   GLY  19          HA2       GLY  19  63.353   2.628   9.392
  118   2HA   GLY  19          HA1       GLY  19  63.814   0.936   9.246
  119    H    ARG  20           HN       ARG  20  63.305   0.700   6.457
  120    HA   ARG  20           HA       ARG  20  65.573   2.231   5.417
  121   1HB   ARG  20          HB2       ARG  20  64.371  -0.374   4.473
  122   2HB   ARG  20          HB1       ARG  20  65.762   0.419   3.760
  123   1HG   ARG  20          HG2       ARG  20  66.806  -1.076   5.082
  124   2HG   ARG  20          HG1       ARG  20  66.697   0.277   6.200
  125   1HD   ARG  20          HD2       ARG  20  65.960  -1.479   7.477
  126   2HD   ARG  20          HD1       ARG  20  64.448  -0.810   6.883
  127    HE   ARG  20           HE       ARG  20  64.113  -2.719   5.650
  128   1HH1  ARG  20          HH11      ARG  20  67.387  -2.687   6.855
  129   2HH1  ARG  20          HH12      ARG  20  67.695  -4.336   6.424
  130   1HH2  ARG  20          HH21      ARG  20  64.512  -4.887   5.085
  131   2HH2  ARG  20          HH22      ARG  20  66.062  -5.586   5.417
  132    H    GLY  21           HN       GLY  21  62.177   1.659   5.053
  133   1HA   GLY  21          HA2       GLY  21  61.767   3.860   3.383
  134   2HA   GLY  21          HA1       GLY  21  61.845   2.439   2.358
  135    H    LEU  22           HN       LEU  22  59.583   4.283   2.937
  136    HA   LEU  22           HA       LEU  22  57.655   2.228   3.688
  137   1HB   LEU  22          HB2       LEU  22  56.462   3.606   5.189
  138   2HB   LEU  22          HB1       LEU  22  58.148   3.598   5.684
  139    HG   LEU  22           HG       LEU  22  57.355   5.705   3.845
  140   1HD1  LEU  22          HD11      LEU  22  56.276   5.498   6.627
  141   2HD1  LEU  22          HD12      LEU  22  55.415   5.879   5.135
  142   3HD1  LEU  22          HD13      LEU  22  56.519   7.059   5.844
  143   1HD2  LEU  22          HD21      LEU  22  59.543   5.880   4.544
  144   2HD2  LEU  22          HD22      LEU  22  59.165   5.355   6.183
  145   3HD2  LEU  22          HD23      LEU  22  58.721   6.978   5.653
  146    H    CYS  23           HN       CYS  23  55.679   2.317   2.726
  147    HA   CYS  23           HA       CYS  23  55.449   4.214   0.500
  148   1HB   CYS  23          HB2       CYS  23  55.301   1.674   0.126
  149   2HB   CYS  23          HB1       CYS  23  53.737   1.777   0.912
  150    H    PHE  24           HN       PHE  24  53.614   5.525   0.202
  151    HA   PHE  24           HA       PHE  24  51.420   5.131   2.044
  152   1HB   PHE  24          HB2       PHE  24  51.724   7.665   2.815
  153   2HB   PHE  24          HB1       PHE  24  52.396   6.305   3.696
  154    HD1  PHE  24           HD1      PHE  24  54.086   7.592   4.760
  155    HD2  PHE  24           HD2      PHE  24  53.856   7.458   0.510
  156    HE1  PHE  24           HE1      PHE  24  56.320   8.574   4.611
  157    HE2  PHE  24           HE2      PHE  24  56.100   8.438   0.362
  158    HZ   PHE  24           HZ       PHE  24  57.329   8.985   2.415
  159    H    CYS  25           HN       CYS  25  51.789   8.409   1.238
  160    HA   CYS  25           HA       CYS  25  49.460   8.338  -0.358
  161   1HB   CYS  25          HB2       CYS  25  49.886  10.199   1.093
  162   2HB   CYS  25          HB1       CYS  25  51.412  10.547   0.282
  163    H    GLY  26           HN       GLY  26  50.479   6.749  -1.930
  164   1HA   GLY  26          HA2       GLY  26  50.525   6.991  -4.352
  165   2HA   GLY  26          HA1       GLY  26  51.634   8.326  -4.133
  166    H    LYS  27           HN       LYS  27  53.442   7.004  -2.266
  167    HA   LYS  27           HA       LYS  27  54.346   4.646  -3.719
  168   1HB   LYS  27          HB2       LYS  27  55.255   7.280  -4.282
  169   2HB   LYS  27          HB1       LYS  27  56.588   6.342  -3.631
  170   1HG   LYS  27          HG2       LYS  27  56.599   4.868  -5.400
  171   2HG   LYS  27          HG1       LYS  27  54.906   5.169  -5.797
  172   1HD   LYS  27          HD2       LYS  27  56.352   7.611  -6.077
  173   2HD   LYS  27          HD1       LYS  27  57.221   6.341  -6.940
  174   1HE   LYS  27          HE2       LYS  27  55.613   6.124  -8.500
  175   2HE   LYS  27          HE1       LYS  27  54.310   6.338  -7.332
  176   1HZ   LYS  27          HZ1       LYS  27  54.612   8.693  -7.401
  177   2HZ   LYS  27          HZ2       LYS  27  54.466   8.140  -8.993
  178   3HZ   LYS  27          HZ3       LYS  27  55.987   8.552  -8.380
  179    H    CYS  28           HN       CYS  28  56.949   4.540  -3.033
  180    HA   CYS  28           HA       CYS  28  56.874   3.846  -0.228
  181   1HB   CYS  28          HB2       CYS  28  58.740   3.382  -2.514
  182   2HB   CYS  28          HB1       CYS  28  59.421   3.345  -0.898
  183    H    ARG  29           HN       ARG  29  59.258   4.340   0.753
  184    HA   ARG  29           HA       ARG  29  60.139   7.041   0.256
  185   1HB   ARG  29          HB2       ARG  29  58.291   7.555   1.687
  186   2HB   ARG  29          HB1       ARG  29  58.699   6.257   2.793
  187   1HG   ARG  29          HG2       ARG  29  60.619   7.428   3.561
  188   2HG   ARG  29          HG1       ARG  29  60.429   8.669   2.330
  189   1HD   ARG  29          HD2       ARG  29  58.747   9.702   3.459
  190   2HD   ARG  29          HD1       ARG  29  58.165   8.200   4.175
  191    HE   ARG  29           HE       ARG  29  60.537   8.565   5.401
  192   1HH1  ARG  29          HH11      ARG  29  57.777  10.649   4.922
  193   2HH1  ARG  29          HH12      ARG  29  58.036  11.536   6.387
  194   1HH2  ARG  29          HH21      ARG  29  60.883   9.736   7.322
  195   2HH2  ARG  29          HH22      ARG  29  59.800  11.020   7.747
  196    H    CYS  30           HN       CYS  30  61.745   5.262  -0.286
  197    HA   CYS  30           HA       CYS  30  63.149   4.187   2.010
  198   1HB   CYS  30          HB2       CYS  30  64.398   3.765  -0.607
  199   2HB   CYS  30          HB1       CYS  30  63.949   2.604   0.626
  200    H    HIS  31           HN       HIS  31  65.114   4.750   2.708
  201    HA   HIS  31           HA       HIS  31  66.083   7.363   1.964
  202   1HB   HIS  31          HB2       HIS  31  67.580   5.588   3.844
  203   2HB   HIS  31          HB1       HIS  31  67.283   7.321   3.936
  204    HD1  HIS  31           HD1      HIS  31  64.171   7.227   3.767
  205    HD2  HIS  31           HD2      HIS  31  66.489   4.821   6.239
  206    HE1  HIS  31           HE1      HIS  31  62.632   6.495   5.621
  207    HE2  HIS  31           HE2      HIS  31  64.082   5.101   7.145
  208    HA   PRO  32           HA       PRO  32  69.369   6.444  -0.780
  209   1HB   PRO  32          HB2       PRO  32  71.287   7.725   1.079
  210   2HB   PRO  32          HB1       PRO  32  70.919   8.119  -0.602
  211   1HG   PRO  32          HG2       PRO  32  70.049   9.684   1.372
  212   2HG   PRO  32          HG1       PRO  32  69.030   9.350  -0.040
  213   1HD   PRO  32          HD2       PRO  32  68.886   8.188   2.710
  214   2HD   PRO  32          HD1       PRO  32  67.572   8.683   1.621
  215    H    GLY  33           HN       GLY  33  70.022   4.508  -1.036
  216   1HA   GLY  33          HA2       GLY  33  71.827   2.978  -0.780
  217   2HA   GLY  33          HA1       GLY  33  71.869   3.349   0.934
  218    H    PHE  34           HN       PHE  34  69.185   2.459  -1.232
  219    HA   PHE  34           HA       PHE  34  68.871  -0.065   0.186
  220   1HB   PHE  34          HB2       PHE  34  66.802   2.122   0.155
  221   2HB   PHE  34          HB1       PHE  34  66.384   0.438   0.453
  222    HD1  PHE  34           HD1      PHE  34  68.429  -0.569   2.159
  223    HD2  PHE  34           HD2      PHE  34  66.669   3.304   2.119
  224    HE1  PHE  34           HE1      PHE  34  69.000  -0.290   4.536
  225    HE2  PHE  34           HE2      PHE  34  67.237   3.592   4.495
  226    HZ   PHE  34           HZ       PHE  34  68.405   1.793   5.707
  227    H    GLU  35           HN       GLU  35  67.715  -1.640  -0.960
  228    HA   GLU  35           HA       GLU  35  66.546  -0.948  -3.518
  229   1HB   GLU  35          HB2       GLU  35  69.210  -2.136  -3.255
  230   2HB   GLU  35          HB1       GLU  35  68.139  -3.052  -4.305
  231   1HG   GLU  35          HG2       GLU  35  68.388  -1.593  -5.938
  232   2HG   GLU  35          HG1       GLU  35  67.932  -0.256  -4.883
  233    H    GLY  36           HN       GLY  36  67.843  -4.127  -2.643
  234   1HA   GLY  36          HA2       GLY  36  66.759  -6.147  -2.374
  235   2HA   GLY  36          HA1       GLY  36  65.681  -5.232  -1.325
  236    H    SER  37           HN       SER  37  63.937  -6.577  -1.992
  237    HA   SER  37           HA       SER  37  63.102  -6.553  -4.758
  238   1HB   SER  37          HB2       SER  37  62.596  -8.491  -3.275
  239   2HB   SER  37          HB1       SER  37  61.590  -7.441  -2.278
  240    HG   SER  37           HG       SER  37  61.180  -8.075  -5.015
  241    H    ALA  38           HN       ALA  38  62.851  -4.700  -1.964
  242    HA   ALA  38           HA       ALA  38  60.915  -2.867  -3.194
  243   1HB   ALA  38          HB1       ALA  38  60.737  -2.408  -0.500
  244   2HB   ALA  38          HB2       ALA  38  60.905  -4.162  -0.578
  245   3HB   ALA  38          HB3       ALA  38  59.596  -3.361  -1.447
  246    H    CYS  39           HN       CYS  39  62.687  -2.676  -0.168
  247    HA   CYS  39           HA       CYS  39  64.754  -1.082  -1.261
  248   1HB   CYS  39          HB2       CYS  39  62.734   0.228   0.549
  249   2HB   CYS  39          HB1       CYS  39  64.314   0.905   0.185
  250    H    GLN  40           HN       GLN  40  64.874  -3.481   0.052
  251    HA   GLN  40           HA       GLN  40  65.724  -2.854   2.793
  252   1HB   GLN  40          HB2       GLN  40  65.663  -5.275   3.169
  253   2HB   GLN  40          HB1       GLN  40  64.125  -4.684   2.553
  254   1HG   GLN  40          HG2       GLN  40  66.004  -5.587   0.494
  255   2HG   GLN  40          HG1       GLN  40  65.455  -6.845   1.589
  256   1HE2  GLN  40          HE21      GLN  40  64.097  -7.940   0.268
  257   2HE2  GLN  40          HE22      GLN  40  62.687  -7.253  -0.462
  258    H    ALA  41           HN       ALA  41  66.916  -4.115  -0.254
  259    HA   ALA  41           HA       ALA  41  69.541  -4.614   0.932
  260   1HB   ALA  41          HB1       ALA  41  68.055  -5.997  -0.924
  261   2HB   ALA  41          HB2       ALA  41  69.765  -6.239  -0.574
  262   3HB   ALA  41          HB3       ALA  41  69.278  -5.191  -1.905
  Start of MODEL   14
    1   1H    GLU   1          HT1       GLU   1  48.750  12.407  -8.372
    2   2H    GLU   1          HT2       GLU   1  47.805  12.788  -6.991
    3   3H    GLU   1          HT3       GLU   1  47.878  11.172  -7.563
    4    HA   GLU   1           HA       GLU   1  50.334  11.326  -7.167
    5   1HB   GLU   1          HB2       GLU   1  49.276  13.717  -5.655
    6   2HB   GLU   1          HB1       GLU   1  50.825  12.968  -5.293
    7   1HG   GLU   1          HG2       GLU   1  50.075  14.086  -7.983
    8   2HG   GLU   1          HG1       GLU   1  50.971  14.972  -6.750
    9    H    CYS   2           HN       CYS   2  47.864  12.246  -4.746
   10    HA   CYS   2           HA       CYS   2  48.554   9.817  -3.250
   11   1HB   CYS   2          HB2       CYS   2  46.644  11.640  -1.987
   12   2HB   CYS   2          HB1       CYS   2  48.112  10.926  -1.339
   13    H    ASP   3           HN       ASP   3  47.407   8.168  -3.987
   14    HA   ASP   3           HA       ASP   3  44.540   8.158  -3.706
   15   1HB   ASP   3          HB2       ASP   3  45.812   7.810  -6.423
   16   2HB   ASP   3          HB1       ASP   3  44.130   7.442  -6.052
   17    H    THR   4           HN       THR   4  45.093   5.871  -5.925
   18    HA   THR   4           HA       THR   4  45.363   3.792  -3.942
   19    HB   THR   4           HB       THR   4  43.731   3.253  -5.524
   20    HG1  THR   4           HG1      THR   4  45.023   1.467  -5.268
   21   1HG2  THR   4          HG21      THR   4  44.339   3.185  -7.994
   22   2HG2  THR   4          HG22      THR   4  45.663   4.264  -7.554
   23   3HG2  THR   4          HG23      THR   4  43.993   4.751  -7.261
   24    H    ILE   5           HN       ILE   5  47.485   4.050  -3.258
   25    HA   ILE   5           HA       ILE   5  49.456   2.750  -4.892
   26    HB   ILE   5           HB       ILE   5  51.111   4.471  -4.836
   27   1HG1  ILE   5          HG12      ILE   5  50.869   5.828  -2.988
   28   2HG1  ILE   5          HG11      ILE   5  50.227   6.868  -4.247
   29   1HG2  ILE   5          HG21      ILE   5  49.495   4.399  -6.711
   30   2HG2  ILE   5          HG22      ILE   5  50.216   5.990  -6.460
   31   3HG2  ILE   5          HG23      ILE   5  48.572   5.669  -5.908
   32   1HD1  ILE   5          HD11      ILE   5  48.795   7.028  -2.375
   33   2HD1  ILE   5          HD12      ILE   5  48.671   5.273  -2.243
   34   3HD1  ILE   5          HD13      ILE   5  47.954   6.108  -3.619
   35    H    ASN   6           HN       ASN   6  48.788   1.469  -3.054
   36    HA   ASN   6           HA       ASN   6  49.709   2.270  -0.459
   37   1HB   ASN   6          HB2       ASN   6  48.001   0.221  -1.622
   38   2HB   ASN   6          HB1       ASN   6  48.974  -0.367  -0.275
   39   1HD2  ASN   6          HD21      ASN   6  47.545   2.792  -0.917
   40   2HD2  ASN   6          HD22      ASN   6  46.577   2.850   0.514
   41    H    CYS   7           HN       CYS   7  51.183   1.128   0.813
   42    HA   CYS   7           HA       CYS   7  53.691   0.852  -0.086
   43   1HB   CYS   7          HB2       CYS   7  52.297  -0.550   2.163
   44   2HB   CYS   7          HB1       CYS   7  53.998  -0.845   1.845
   45    H    GLU   8           HN       GLU   8  55.078  -0.676  -0.787
   46    HA   GLU   8           HA       GLU   8  53.940  -2.914  -2.261
   47   1HB   GLU   8          HB2       GLU   8  56.804  -1.922  -2.070
   48   2HB   GLU   8          HB1       GLU   8  56.220  -3.157  -3.176
   49   1HG   GLU   8          HG2       GLU   8  54.732  -1.460  -4.208
   50   2HG   GLU   8          HG1       GLU   8  55.473  -0.242  -3.169
   51    H    ARG   9           HN       ARG   9  55.593  -4.956  -2.134
   52    HA   ARG   9           HA       ARG   9  56.341  -5.344   0.654
   53   1HB   ARG   9          HB2       ARG   9  54.790  -7.460  -0.794
   54   2HB   ARG   9          HB1       ARG   9  55.302  -7.449   0.894
   55   1HG   ARG   9          HG2       ARG   9  53.661  -5.987   1.517
   56   2HG   ARG   9          HG1       ARG   9  53.536  -5.265  -0.087
   57   1HD   ARG   9          HD2       ARG   9  52.820  -7.977  -0.360
   58   2HD   ARG   9          HD1       ARG   9  51.986  -7.377   1.073
   59    HE   ARG   9           HE       ARG   9  50.688  -6.042  -0.269
   60   1HH1  ARG   9          HH11      ARG   9  53.358  -7.293  -2.139
   61   2HH1  ARG   9          HH12      ARG   9  52.722  -6.739  -3.649
   62   1HH2  ARG   9          HH21      ARG   9  49.852  -5.312  -2.256
   63   2HH2  ARG   9          HH22      ARG   9  50.733  -5.613  -3.717
   64    H    TYR  10           HN       TYR  10  58.133  -6.206   0.951
   65    HA   TYR  10           HA       TYR  10  59.613  -7.344  -1.285
   66   1HB   TYR  10          HB2       TYR  10  61.582  -6.787  -0.091
   67   2HB   TYR  10          HB1       TYR  10  60.492  -5.447   0.171
   68    HD1  TYR  10           HD1      TYR  10  58.842  -6.127   2.328
   69    HD2  TYR  10           HD2      TYR  10  62.901  -7.186   1.685
   70    HE1  TYR  10           HE1      TYR  10  59.178  -6.271   4.732
   71    HE2  TYR  10           HE2      TYR  10  63.247  -7.336   4.111
   72    HH   TYR  10           HH       TYR  10  60.935  -6.205   6.377
   73    H    ASN  11           HN       ASN  11  61.409  -8.735   0.728
   74    HA   ASN  11           HA       ASN  11  59.829 -11.173   0.807
   75   1HB   ASN  11          HB2       ASN  11  62.421 -10.720   0.133
   76   2HB   ASN  11          HB1       ASN  11  62.603 -11.252   1.801
   77   1HD2  ASN  11          HD21      ASN  11  63.762 -12.879   0.236
   78   2HD2  ASN  11          HD22      ASN  11  62.837 -14.295  -0.121
   79    H    GLY  12           HN       GLY  12  58.449 -10.192   2.612
   80   1HA   GLY  12          HA2       GLY  12  58.478 -11.443   4.898
   81   2HA   GLY  12          HA1       GLY  12  59.819 -10.360   5.208
   82    H    GLN  13           HN       GLN  13  58.318  -8.151   3.694
   83    HA   GLN  13           HA       GLN  13  56.017  -7.672   5.389
   84   1HB   GLN  13          HB2       GLN  13  58.206  -5.619   5.479
   85   2HB   GLN  13          HB1       GLN  13  56.844  -5.809   6.572
   86   1HG   GLN  13          HG2       GLN  13  57.892  -7.903   7.418
   87   2HG   GLN  13          HG1       GLN  13  59.302  -7.536   6.424
   88   1HE2  GLN  13          HE21      GLN  13  57.208  -6.058   8.869
   89   2HE2  GLN  13          HE22      GLN  13  58.472  -5.225   9.702
   90    H    VAL  14           HN       VAL  14  56.090  -4.824   5.009
   91    HA   VAL  14           HA       VAL  14  55.598  -4.720   2.120
   92    HB   VAL  14           HB       VAL  14  54.103  -2.834   2.555
   93   1HG1  VAL  14          HG11      VAL  14  52.708  -4.595   2.567
   94   2HG1  VAL  14          HG12      VAL  14  52.577  -4.248   4.291
   95   3HG1  VAL  14          HG13      VAL  14  53.687  -5.495   3.724
   96   1HG2  VAL  14          HG21      VAL  14  53.471  -2.442   5.010
   97   2HG2  VAL  14          HG22      VAL  14  54.983  -1.744   4.429
   98   3HG2  VAL  14          HG23      VAL  14  55.005  -3.221   5.392
   99    H    CYS  15           HN       CYS  15  57.147  -3.749   1.015
  100    HA   CYS  15           HA       CYS  15  58.680  -2.224   0.342
  101   1HB   CYS  15          HB2       CYS  15  57.186  -0.751   2.400
  102   2HB   CYS  15          HB1       CYS  15  58.803  -0.149   2.074
  103    H    GLY  16           HN       GLY  16  59.678  -4.345   1.764
  104   1HA   GLY  16          HA2       GLY  16  61.512  -4.978   3.019
  105   2HA   GLY  16          HA1       GLY  16  62.189  -3.448   2.562
  106    H    GLY  17           HN       GLY  17  59.217  -3.743   4.349
  107   1HA   GLY  17          HA2       GLY  17  58.619  -3.236   6.500
  108   2HA   GLY  17          HA1       GLY  17  60.274  -3.571   6.974
  109    HA   PRO  18           HA       PRO  18  59.013   1.136   6.797
  110   1HB   PRO  18          HB2       PRO  18  58.724   1.480   9.524
  111   2HB   PRO  18          HB1       PRO  18  57.391   1.281   8.382
  112   1HG   PRO  18          HG2       PRO  18  58.686  -0.745  10.158
  113   2HG   PRO  18          HG1       PRO  18  56.969  -0.531   9.764
  114   1HD   PRO  18          HD2       PRO  18  58.438  -2.461   8.619
  115   2HD   PRO  18          HD1       PRO  18  57.180  -1.594   7.711
  116    H    GLY  19           HN       GLY  19  60.942  -0.839   8.991
  117   1HA   GLY  19          HA2       GLY  19  62.677   1.064  10.014
  118   2HA   GLY  19          HA1       GLY  19  63.116  -0.607   9.700
  119    H    ARG  20           HN       ARG  20  62.447  -0.104   6.772
  120    HA   ARG  20           HA       ARG  20  65.026   1.140   6.094
  121   1HB   ARG  20          HB2       ARG  20  63.491  -0.544   4.163
  122   2HB   ARG  20          HB1       ARG  20  65.223  -0.306   4.308
  123   1HG   ARG  20          HG2       ARG  20  63.586  -1.828   6.314
  124   2HG   ARG  20          HG1       ARG  20  64.399  -2.573   4.938
  125   1HD   ARG  20          HD2       ARG  20  66.228  -0.875   6.348
  126   2HD   ARG  20          HD1       ARG  20  65.467  -2.002   7.472
  127    HE   ARG  20           HE       ARG  20  66.408  -3.233   5.054
  128   1HH1  ARG  20          HH11      ARG  20  67.289  -2.220   8.276
  129   2HH1  ARG  20          HH12      ARG  20  68.595  -3.350   8.410
  130   1HH2  ARG  20          HH21      ARG  20  68.126  -4.720   5.228
  131   2HH2  ARG  20          HH22      ARG  20  69.070  -4.770   6.679
  132    H    GLY  21           HN       GLY  21  61.585   1.158   5.400
  133   1HA   GLY  21          HA2       GLY  21  61.616   3.845   4.535
  134   2HA   GLY  21          HA1       GLY  21  61.586   2.795   3.129
  135    H    LEU  22           HN       LEU  22  59.560   4.613   3.699
  136    HA   LEU  22           HA       LEU  22  57.336   2.803   4.282
  137   1HB   LEU  22          HB2       LEU  22  56.189   5.136   4.894
  138   2HB   LEU  22          HB1       LEU  22  56.969   4.102   6.080
  139    HG   LEU  22           HG       LEU  22  58.784   5.892   4.748
  140   1HD1  LEU  22          HD11      LEU  22  56.609   7.223   4.883
  141   2HD1  LEU  22          HD12      LEU  22  58.053   7.961   5.576
  142   3HD1  LEU  22          HD13      LEU  22  56.856   7.206   6.629
  143   1HD2  LEU  22          HD21      LEU  22  58.343   5.955   7.673
  144   2HD2  LEU  22          HD22      LEU  22  59.849   5.886   6.758
  145   3HD2  LEU  22          HD23      LEU  22  58.878   4.429   6.970
  146    H    CYS  23           HN       CYS  23  55.202   4.191   3.520
  147    HA   CYS  23           HA       CYS  23  55.765   5.227   0.840
  148   1HB   CYS  23          HB2       CYS  23  54.176   3.808  -0.211
  149   2HB   CYS  23          HB1       CYS  23  55.173   2.765   0.797
  150    H    PHE  24           HN       PHE  24  54.228   6.678  -0.028
  151    HA   PHE  24           HA       PHE  24  51.855   7.227   1.554
  152   1HB   PHE  24          HB2       PHE  24  52.790   9.796   1.527
  153   2HB   PHE  24          HB1       PHE  24  52.842   8.724   2.918
  154    HD1  PHE  24           HD1      PHE  24  54.896   9.059  -0.190
  155    HD2  PHE  24           HD2      PHE  24  54.760   8.971   4.058
  156    HE1  PHE  24           HE1      PHE  24  57.359   9.223  -0.105
  157    HE2  PHE  24           HE2      PHE  24  57.215   9.134   4.157
  158    HZ   PHE  24           HZ       PHE  24  58.516   9.258   2.074
  159    H    CYS  25           HN       CYS  25  51.190   9.666   0.727
  160    HA   CYS  25           HA       CYS  25  49.799   9.647  -1.466
  161   1HB   CYS  25          HB2       CYS  25  49.947  11.664  -0.259
  162   2HB   CYS  25          HB1       CYS  25  51.698  11.760  -0.481
  163    H    GLY  26           HN       GLY  26  50.653   8.089  -2.966
  164   1HA   GLY  26          HA2       GLY  26  51.417   8.382  -5.304
  165   2HA   GLY  26          HA1       GLY  26  52.823   9.191  -4.634
  166    H    LYS  27           HN       LYS  27  54.119   7.741  -3.013
  167    HA   LYS  27           HA       LYS  27  53.986   4.911  -3.675
  168   1HB   LYS  27          HB2       LYS  27  55.650   6.774  -5.044
  169   2HB   LYS  27          HB1       LYS  27  56.648   5.611  -4.190
  170   1HG   LYS  27          HG2       LYS  27  54.908   3.922  -5.313
  171   2HG   LYS  27          HG1       LYS  27  54.839   5.228  -6.497
  172   1HD   LYS  27          HD2       LYS  27  57.510   4.306  -5.567
  173   2HD   LYS  27          HD1       LYS  27  56.614   3.277  -6.688
  174   1HE   LYS  27          HE2       LYS  27  57.812   4.594  -8.146
  175   2HE   LYS  27          HE1       LYS  27  56.303   5.498  -8.023
  176   1HZ   LYS  27          HZ1       LYS  27  57.285   7.052  -6.582
  177   2HZ   LYS  27          HZ2       LYS  27  58.416   6.822  -7.818
  178   3HZ   LYS  27          HZ3       LYS  27  58.648   6.085  -6.314
  179    H    CYS  28           HN       CYS  28  56.527   4.143  -3.074
  180    HA   CYS  28           HA       CYS  28  56.610   4.359  -0.196
  181   1HB   CYS  28          HB2       CYS  28  56.985   2.238  -1.703
  182   2HB   CYS  28          HB1       CYS  28  58.626   2.860  -1.828
  183    H    ARG  29           HN       ARG  29  58.862   4.591   0.798
  184    HA   ARG  29           HA       ARG  29  60.613   6.400  -0.667
  185   1HB   ARG  29          HB2       ARG  29  58.879   7.766   0.571
  186   2HB   ARG  29          HB1       ARG  29  59.539   7.120   2.059
  187   1HG   ARG  29          HG2       ARG  29  60.276   9.456   1.039
  188   2HG   ARG  29          HG1       ARG  29  61.340   8.448   2.015
  189   1HD   ARG  29          HD2       ARG  29  62.516   9.213   0.069
  190   2HD   ARG  29          HD1       ARG  29  62.265   7.477  -0.059
  191    HE   ARG  29           HE       ARG  29  61.055   7.855  -1.952
  192   1HH1  ARG  29          HH11      ARG  29  61.150  10.818  -0.109
  193   2HH1  ARG  29          HH12      ARG  29  60.325  11.743  -1.319
  194   1HH2  ARG  29          HH21      ARG  29  59.971   9.071  -3.542
  195   2HH2  ARG  29          HH22      ARG  29  59.657  10.752  -3.268
  196    H    CYS  30           HN       CYS  30  62.223   4.900  -0.613
  197    HA   CYS  30           HA       CYS  30  62.967   3.612   1.863
  198   1HB   CYS  30          HB2       CYS  30  63.130   2.260  -0.109
  199   2HB   CYS  30          HB1       CYS  30  64.088   3.474  -0.942
  200    H    HIS  31           HN       HIS  31  65.122   3.670   2.735
  201    HA   HIS  31           HA       HIS  31  66.178   6.338   2.900
  202   1HB   HIS  31          HB2       HIS  31  67.353   3.822   4.090
  203   2HB   HIS  31          HB1       HIS  31  67.632   5.481   4.607
  204    HD1  HIS  31           HD1      HIS  31  64.544   6.272   4.583
  205    HD2  HIS  31           HD2      HIS  31  66.234   2.977   6.473
  206    HE1  HIS  31           HE1      HIS  31  62.940   5.654   6.419
  207    HE2  HIS  31           HE2      HIS  31  64.041   3.731   7.619
  208    HA   PRO  32           HA       PRO  32  69.432   6.120  -0.066
  209   1HB   PRO  32          HB2       PRO  32  71.340   7.220   1.872
  210   2HB   PRO  32          HB1       PRO  32  70.736   7.927   0.373
  211   1HG   PRO  32          HG2       PRO  32  70.007   8.869   2.787
  212   2HG   PRO  32          HG1       PRO  32  68.904   8.874   1.399
  213   1HD   PRO  32          HD2       PRO  32  68.999   7.013   3.739
  214   2HD   PRO  32          HD1       PRO  32  67.594   7.698   2.896
  215    H    GLY  33           HN       GLY  33  70.167   4.239  -0.596
  216   1HA   GLY  33          HA2       GLY  33  72.303   3.008  -0.466
  217   2HA   GLY  33          HA1       GLY  33  72.012   2.876   1.258
  218    H    PHE  34           HN       PHE  34  69.081   2.467   0.655
  219    HA   PHE  34           HA       PHE  34  69.237  -0.411   0.382
  220   1HB   PHE  34          HB2       PHE  34  67.141   1.554   1.199
  221   2HB   PHE  34          HB1       PHE  34  66.635  -0.058   0.720
  222    HD1  PHE  34           HD1      PHE  34  67.722   1.986   3.379
  223    HD2  PHE  34           HD2      PHE  34  67.878  -2.013   1.933
  224    HE1  PHE  34           HE1      PHE  34  68.246   1.188   5.646
  225    HE2  PHE  34           HE2      PHE  34  68.401  -2.817   4.197
  226    HZ   PHE  34           HZ       PHE  34  68.586  -1.215   6.058
  227    H    GLU  35           HN       GLU  35  67.605  -1.550  -1.004
  228    HA   GLU  35           HA       GLU  35  66.656  -0.125  -3.327
  229   1HB   GLU  35          HB2       GLU  35  69.087  -1.815  -3.398
  230   2HB   GLU  35          HB1       GLU  35  67.935  -2.064  -4.702
  231   1HG   GLU  35          HG2       GLU  35  68.243   0.720  -4.406
  232   2HG   GLU  35          HG1       GLU  35  69.858   0.013  -4.366
  233    H    GLY  36           HN       GLY  36  67.495  -3.550  -3.385
  234   1HA   GLY  36          HA2       GLY  36  66.139  -5.398  -3.638
  235   2HA   GLY  36          HA1       GLY  36  65.257  -4.711  -2.276
  236    H    SER  37           HN       SER  37  63.294  -5.524  -3.124
  237    HA   SER  37           HA       SER  37  62.360  -4.420  -5.654
  238   1HB   SER  37          HB2       SER  37  61.854  -6.818  -4.443
  239   2HB   SER  37          HB1       SER  37  60.451  -5.882  -3.929
  240    HG   SER  37           HG       SER  37  60.974  -6.968  -6.331
  241    H    ALA  38           HN       ALA  38  62.769  -3.389  -2.633
  242    HA   ALA  38           HA       ALA  38  60.817  -1.273  -2.849
  243   1HB   ALA  38          HB1       ALA  38  60.518  -3.530  -1.039
  244   2HB   ALA  38          HB2       ALA  38  59.359  -2.277  -1.486
  245   3HB   ALA  38          HB3       ALA  38  60.534  -1.977  -0.205
  246    H    CYS  39           HN       CYS  39  62.522  -2.592  -0.049
  247    HA   CYS  39           HA       CYS  39  64.611  -0.672  -0.272
  248   1HB   CYS  39          HB2       CYS  39  62.729   0.626   0.735
  249   2HB   CYS  39          HB1       CYS  39  62.786  -0.465   2.113
  250    H    GLN  40           HN       GLN  40  64.534  -3.536  -0.134
  251    HA   GLN  40           HA       GLN  40  65.432  -4.180   2.560
  252   1HB   GLN  40          HB2       GLN  40  65.203  -6.436   2.006
  253   2HB   GLN  40          HB1       GLN  40  63.888  -5.646   1.151
  254   1HG   GLN  40          HG2       GLN  40  65.984  -5.640  -0.663
  255   2HG   GLN  40          HG1       GLN  40  66.085  -7.209   0.123
  256   1HE2  GLN  40          HE21      GLN  40  63.313  -5.181  -0.661
  257   2HE2  GLN  40          HE22      GLN  40  62.519  -6.350  -1.651
  258    H    ALA  41           HN       ALA  41  66.818  -3.902  -0.677
  259    HA   ALA  41           HA       ALA  41  69.387  -4.878   0.276
  260   1HB   ALA  41          HB1       ALA  41  69.222  -3.748  -2.434
  261   2HB   ALA  41          HB2       ALA  41  68.170  -5.126  -2.116
  262   3HB   ALA  41          HB3       ALA  41  69.910  -5.272  -1.874
  Start of MODEL   15
    1   1H    GLU   1          HT1       GLU   1  43.376  10.670  -0.718
    2   2H    GLU   1          HT2       GLU   1  42.543  12.167  -0.599
    3   3H    GLU   1          HT3       GLU   1  44.258  12.128  -0.534
    4    HA   GLU   1           HA       GLU   1  42.481  11.637  -2.813
    5   1HB   GLU   1          HB2       GLU   1  43.860  13.402  -3.813
    6   2HB   GLU   1          HB1       GLU   1  43.126  13.947  -2.311
    7   1HG   GLU   1          HG2       GLU   1  45.100  14.332  -1.367
    8   2HG   GLU   1          HG1       GLU   1  45.749  12.782  -1.895
    9    H    CYS   2           HN       CYS   2  45.551  10.862  -1.350
   10    HA   CYS   2           HA       CYS   2  46.352   9.423  -3.788
   11   1HB   CYS   2          HB2       CYS   2  47.800  11.106  -1.992
   12   2HB   CYS   2          HB1       CYS   2  48.472   9.483  -1.896
   13    H    ASP   3           HN       ASP   3  47.174   8.990  -0.350
   14    HA   ASP   3           HA       ASP   3  46.926   7.209   1.064
   15   1HB   ASP   3          HB2       ASP   3  44.721   6.986  -0.689
   16   2HB   ASP   3          HB1       ASP   3  45.413   5.374  -0.555
   17    H    THR   4           HN       THR   4  46.927   4.539   0.745
   18    HA   THR   4           HA       THR   4  49.526   4.045  -0.450
   19    HB   THR   4           HB       THR   4  49.128   1.711   0.493
   20    HG1  THR   4           HG1      THR   4  46.805   1.979   0.576
   21   1HG2  THR   4          HG21      THR   4  50.069   3.906   1.761
   22   2HG2  THR   4          HG22      THR   4  50.032   2.284   2.453
   23   3HG2  THR   4          HG23      THR   4  48.748   3.431   2.828
   24    H    ILE   5           HN       ILE   5  48.738   4.497  -2.596
   25    HA   ILE   5           HA       ILE   5  46.999   2.554  -3.791
   26    HB   ILE   5           HB       ILE   5  46.361   4.709  -4.336
   27   1HG1  ILE   5          HG12      ILE   5  48.051   4.498  -6.705
   28   2HG1  ILE   5          HG11      ILE   5  47.135   3.055  -6.307
   29   1HG2  ILE   5          HG21      ILE   5  47.733   6.315  -3.830
   30   2HG2  ILE   5          HG22      ILE   5  48.406   6.106  -5.448
   31   3HG2  ILE   5          HG23      ILE   5  49.133   5.278  -4.074
   32   1HD1  ILE   5          HD11      ILE   5  45.066   4.255  -6.437
   33   2HD1  ILE   5          HD12      ILE   5  45.989   4.554  -7.910
   34   3HD1  ILE   5          HD13      ILE   5  45.924   5.781  -6.646
   35    H    ASN   6           HN       ASN   6  50.218   3.381  -3.526
   36    HA   ASN   6           HA       ASN   6  50.981   1.280  -5.409
   37   1HB   ASN   6          HB2       ASN   6  51.141   3.896  -6.154
   38   2HB   ASN   6          HB1       ASN   6  52.743   3.633  -5.471
   39   1HD2  ASN   6          HD21      ASN   6  50.888   3.401  -8.206
   40   2HD2  ASN   6          HD22      ASN   6  51.885   2.331  -9.125
   41    H    CYS   7           HN       CYS   7  51.651  -0.063  -3.759
   42    HA   CYS   7           HA       CYS   7  54.087   0.813  -2.377
   43   1HB   CYS   7          HB2       CYS   7  52.078  -0.943  -0.993
   44   2HB   CYS   7          HB1       CYS   7  53.434  -0.067  -0.301
   45    H    GLU   8           HN       GLU   8  55.688  -0.608  -2.355
   46    HA   GLU   8           HA       GLU   8  55.257  -3.168  -3.709
   47   1HB   GLU   8          HB2       GLU   8  57.925  -2.028  -2.879
   48   2HB   GLU   8          HB1       GLU   8  57.591  -3.221  -4.125
   49   1HG   GLU   8          HG2       GLU   8  56.413  -0.517  -4.443
   50   2HG   GLU   8          HG1       GLU   8  58.146  -0.707  -4.701
   51    H    ARG   9           HN       ARG   9  56.141  -5.136  -2.778
   52    HA   ARG   9           HA       ARG   9  56.598  -4.944   0.112
   53   1HB   ARG   9          HB2       ARG   9  54.900  -7.037  -1.210
   54   2HB   ARG   9          HB1       ARG   9  55.313  -6.969   0.493
   55   1HG   ARG   9          HG2       ARG   9  54.036  -4.997   0.809
   56   2HG   ARG   9          HG1       ARG   9  53.812  -4.789  -0.929
   57   1HD   ARG   9          HD2       ARG   9  52.800  -7.282  -0.559
   58   2HD   ARG   9          HD1       ARG   9  52.385  -6.517   0.974
   59    HE   ARG   9           HE       ARG   9  51.647  -4.747  -1.022
   60   1HH1  ARG   9          HH11      ARG   9  50.800  -7.980  -0.016
   61   2HH1  ARG   9          HH12      ARG   9  49.174  -7.870  -0.601
   62   1HH2  ARG   9          HH21      ARG   9  49.509  -4.601  -1.793
   63   2HH2  ARG   9          HH22      ARG   9  48.440  -5.951  -1.610
   64    H    TYR  10           HN       TYR  10  58.236  -5.953   0.840
   65    HA   TYR  10           HA       TYR  10  59.840  -7.560  -0.956
   66   1HB   TYR  10          HB2       TYR  10  61.708  -6.986   0.371
   67   2HB   TYR  10          HB1       TYR  10  60.718  -5.544   0.302
   68    HD1  TYR  10           HD1      TYR  10  58.793  -5.676   2.290
   69    HD2  TYR  10           HD2      TYR  10  62.714  -7.309   2.369
   70    HE1  TYR  10           HE1      TYR  10  58.816  -5.474   4.719
   71    HE2  TYR  10           HE2      TYR  10  62.739  -7.120   4.814
   72    HH   TYR  10           HH       TYR  10  60.427  -6.996   6.684
   73    H    ASN  11           HN       ASN  11  58.222  -7.821   2.058
   74    HA   ASN  11           HA       ASN  11  58.389 -10.704   1.937
   75   1HB   ASN  11          HB2       ASN  11  60.491  -9.919   3.110
   76   2HB   ASN  11          HB1       ASN  11  59.452  -9.350   4.413
   77   1HD2  ASN  11          HD21      ASN  11  60.705 -10.845   5.709
   78   2HD2  ASN  11          HD22      ASN  11  60.251 -12.512   5.749
   79    H    GLY  12           HN       GLY  12  56.134  -9.122   1.729
   80   1HA   GLY  12          HA2       GLY  12  53.958  -9.407   2.526
   81   2HA   GLY  12          HA1       GLY  12  54.613 -10.134   3.983
   82    H    GLN  13           HN       GLN  13  56.420  -7.539   3.964
   83    HA   GLN  13           HA       GLN  13  54.644  -6.078   5.729
   84   1HB   GLN  13          HB2       GLN  13  57.425  -5.234   4.925
   85   2HB   GLN  13          HB1       GLN  13  56.558  -4.838   6.402
   86   1HG   GLN  13          HG2       GLN  13  57.272  -7.673   5.779
   87   2HG   GLN  13          HG1       GLN  13  58.460  -6.576   6.480
   88   1HE2  GLN  13          HE21      GLN  13  56.591  -8.969   7.327
   89   2HE2  GLN  13          HE22      GLN  13  56.087  -8.486   8.907
   90    H    VAL  14           HN       VAL  14  56.916  -4.796   3.353
   91    HA   VAL  14           HA       VAL  14  55.702  -3.863   1.285
   92    HB   VAL  14           HB       VAL  14  53.717  -3.067   2.403
   93   1HG1  VAL  14          HG11      VAL  14  55.580  -2.176   4.391
   94   2HG1  VAL  14          HG12      VAL  14  53.825  -2.314   4.492
   95   3HG1  VAL  14          HG13      VAL  14  54.559  -0.830   3.885
   96   1HG2  VAL  14          HG21      VAL  14  55.403  -0.708   1.582
   97   2HG2  VAL  14          HG22      VAL  14  53.642  -0.759   1.651
   98   3HG2  VAL  14          HG23      VAL  14  54.509  -1.762   0.486
   99    H    CYS  15           HN       CYS  15  57.512  -3.293   0.387
  100    HA   CYS  15           HA       CYS  15  59.306  -2.069  -0.199
  101   1HB   CYS  15          HB2       CYS  15  57.611  -0.274   1.156
  102   2HB   CYS  15          HB1       CYS  15  59.251   0.066   1.686
  103    H    GLY  16           HN       GLY  16  59.813  -4.121   1.652
  104   1HA   GLY  16          HA2       GLY  16  61.535  -4.804   3.036
  105   2HA   GLY  16          HA1       GLY  16  62.374  -3.364   2.556
  106    H    GLY  17           HN       GLY  17  59.250  -3.436   4.130
  107   1HA   GLY  17          HA2       GLY  17  58.559  -2.863   6.245
  108   2HA   GLY  17          HA1       GLY  17  60.216  -3.044   6.788
  109    HA   PRO  18           HA       PRO  18  58.847   1.519   6.411
  110   1HB   PRO  18          HB2       PRO  18  58.428   2.088   9.027
  111   2HB   PRO  18          HB1       PRO  18  57.150   1.487   7.962
  112   1HG   PRO  18          HG2       PRO  18  58.828  -0.013   9.937
  113   2HG   PRO  18          HG1       PRO  18  57.083  -0.123   9.641
  114   1HD   PRO  18          HD2       PRO  18  58.841  -1.920   8.642
  115   2HD   PRO  18          HD1       PRO  18  57.354  -1.465   7.787
  116    H    GLY  19           HN       GLY  19  60.698  -0.017   9.040
  117   1HA   GLY  19          HA2       GLY  19  62.334   2.038   9.813
  118   2HA   GLY  19          HA1       GLY  19  62.853   0.362   9.758
  119    H    ARG  20           HN       ARG  20  62.463   0.279   6.810
  120    HA   ARG  20           HA       ARG  20  64.957   1.667   6.087
  121   1HB   ARG  20          HB2       ARG  20  63.813  -0.439   4.330
  122   2HB   ARG  20          HB1       ARG  20  65.490  -0.056   4.681
  123   1HG   ARG  20          HG2       ARG  20  63.574  -1.716   6.268
  124   2HG   ARG  20          HG1       ARG  20  65.156  -2.152   5.632
  125   1HD   ARG  20          HD2       ARG  20  64.423  -0.724   8.117
  126   2HD   ARG  20          HD1       ARG  20  65.725  -1.868   7.809
  127    HE   ARG  20           HE       ARG  20  66.399   0.423   6.441
  128   1HH1  ARG  20          HH11      ARG  20  65.757  -0.444   9.756
  129   2HH1  ARG  20          HH12      ARG  20  66.809   0.768  10.408
  130   1HH2  ARG  20          HH21      ARG  20  67.783   2.018   7.293
  131   2HH2  ARG  20          HH22      ARG  20  67.959   2.166   9.008
  132    H    GLY  21           HN       GLY  21  61.745   0.838   4.758
  133   1HA   GLY  21          HA2       GLY  21  61.637   3.449   3.498
  134   2HA   GLY  21          HA1       GLY  21  61.707   2.101   2.381
  135    H    LEU  22           HN       LEU  22  59.654   4.197   3.379
  136    HA   LEU  22           HA       LEU  22  57.442   2.460   4.115
  137   1HB   LEU  22          HB2       LEU  22  58.029   5.332   4.207
  138   2HB   LEU  22          HB1       LEU  22  56.348   4.856   4.033
  139    HG   LEU  22           HG       LEU  22  56.733   5.103   6.292
  140   1HD1  LEU  22          HD11      LEU  22  57.040   2.160   6.016
  141   2HD1  LEU  22          HD12      LEU  22  55.566   2.991   5.521
  142   3HD1  LEU  22          HD13      LEU  22  56.097   3.061   7.200
  143   1HD2  LEU  22          HD21      LEU  22  59.200   3.446   5.963
  144   2HD2  LEU  22          HD22      LEU  22  58.541   3.937   7.523
  145   3HD2  LEU  22          HD23      LEU  22  59.117   5.156   6.387
  146    H    CYS  23           HN       CYS  23  55.308   3.049   3.104
  147    HA   CYS  23           HA       CYS  23  55.603   3.427   0.200
  148   1HB   CYS  23          HB2       CYS  23  54.284   1.645  -0.180
  149   2HB   CYS  23          HB1       CYS  23  54.507   1.235   1.514
  150    H    PHE  24           HN       PHE  24  54.498   5.185  -0.682
  151    HA   PHE  24           HA       PHE  24  52.544   6.449   1.135
  152   1HB   PHE  24          HB2       PHE  24  55.093   7.528   0.142
  153   2HB   PHE  24          HB1       PHE  24  53.727   8.625  -0.004
  154    HD1  PHE  24           HD1      PHE  24  56.356   8.394   1.845
  155    HD2  PHE  24           HD2      PHE  24  52.163   7.942   2.381
  156    HE1  PHE  24           HE1      PHE  24  56.614   8.936   4.238
  157    HE2  PHE  24           HE2      PHE  24  52.407   8.486   4.776
  158    HZ   PHE  24           HZ       PHE  24  54.633   8.989   5.702
  159    H    CYS  25           HN       CYS  25  51.852   8.585  -0.091
  160    HA   CYS  25           HA       CYS  25  49.835   8.179  -1.728
  161   1HB   CYS  25          HB2       CYS  25  50.045  10.375  -1.173
  162   2HB   CYS  25          HB1       CYS  25  51.798  10.356  -1.355
  163    H    GLY  26           HN       GLY  26  49.987   6.518  -3.199
  164   1HA   GLY  26          HA2       GLY  26  50.424   5.490  -5.201
  165   2HA   GLY  26          HA1       GLY  26  50.726   7.107  -5.815
  166    H    LYS  27           HN       LYS  27  52.923   6.519  -3.319
  167    HA   LYS  27           HA       LYS  27  54.830   5.058  -4.910
  168   1HB   LYS  27          HB2       LYS  27  55.041   8.000  -4.475
  169   2HB   LYS  27          HB1       LYS  27  56.499   7.025  -4.597
  170   1HG   LYS  27          HG2       LYS  27  55.016   6.203  -6.767
  171   2HG   LYS  27          HG1       LYS  27  54.679   7.932  -6.676
  172   1HD   LYS  27          HD2       LYS  27  56.913   8.508  -6.970
  173   2HD   LYS  27          HD1       LYS  27  57.489   6.916  -6.474
  174   1HE   LYS  27          HE2       LYS  27  56.826   5.933  -8.518
  175   2HE   LYS  27          HE1       LYS  27  55.867   7.342  -8.969
  176   1HZ   LYS  27          HZ1       LYS  27  58.231   8.479  -8.756
  177   2HZ   LYS  27          HZ2       LYS  27  57.709   7.754 -10.191
  178   3HZ   LYS  27          HZ3       LYS  27  58.747   6.917  -9.151
  179    H    CYS  28           HN       CYS  28  56.732   4.458  -3.852
  180    HA   CYS  28           HA       CYS  28  56.442   4.302  -0.976
  181   1HB   CYS  28          HB2       CYS  28  57.676   2.714  -3.005
  182   2HB   CYS  28          HB1       CYS  28  58.918   3.179  -1.848
  183    H    ARG  29           HN       ARG  29  58.679   4.503   0.249
  184    HA   ARG  29           HA       ARG  29  60.251   6.747  -0.725
  185   1HB   ARG  29          HB2       ARG  29  59.898   8.044   1.341
  186   2HB   ARG  29          HB1       ARG  29  58.412   7.840   0.424
  187   1HG   ARG  29          HG2       ARG  29  57.402   6.776   2.093
  188   2HG   ARG  29          HG1       ARG  29  58.799   5.746   2.401
  189   1HD   ARG  29          HD2       ARG  29  58.091   7.318   4.271
  190   2HD   ARG  29          HD1       ARG  29  59.794   7.335   3.818
  191    HE   ARG  29           HE       ARG  29  58.469   9.306   2.340
  192   1HH1  ARG  29          HH11      ARG  29  59.350   8.621   5.647
  193   2HH1  ARG  29          HH12      ARG  29  59.441  10.290   6.099
  194   1HH2  ARG  29          HH21      ARG  29  58.587  11.500   2.934
  195   2HH2  ARG  29          HH22      ARG  29  59.006  11.925   4.559
  196    H    CYS  30           HN       CYS  30  61.954   5.206  -0.769
  197    HA   CYS  30           HA       CYS  30  62.755   3.935   1.710
  198   1HB   CYS  30          HB2       CYS  30  63.147   2.614  -0.259
  199   2HB   CYS  30          HB1       CYS  30  63.973   3.938  -1.064
  200    H    HIS  31           HN       HIS  31  64.834   4.239   2.692
  201    HA   HIS  31           HA       HIS  31  65.625   7.008   2.792
  202   1HB   HIS  31          HB2       HIS  31  67.110   4.759   4.130
  203   2HB   HIS  31          HB1       HIS  31  66.942   6.429   4.655
  204    HD1  HIS  31           HD1      HIS  31  63.733   6.373   4.287
  205    HD2  HIS  31           HD2      HIS  31  66.062   3.735   6.495
  206    HE1  HIS  31           HE1      HIS  31  62.186   5.394   6.012
  207    HE2  HIS  31           HE2      HIS  31  63.653   3.904   7.419
  208    HA   PRO  32           HA       PRO  32  68.919   6.916  -0.131
  209   1HB   PRO  32          HB2       PRO  32  70.639   8.385   1.744
  210   2HB   PRO  32          HB1       PRO  32  70.029   8.877   0.164
  211   1HG   PRO  32          HG2       PRO  32  69.097   9.968   2.437
  212   2HG   PRO  32          HG1       PRO  32  68.052   9.695   1.030
  213   1HD   PRO  32          HD2       PRO  32  68.280   8.113   3.558
  214   2HD   PRO  32          HD1       PRO  32  66.834   8.534   2.614
  215    H    GLY  33           HN       GLY  33  69.816   5.063  -0.460
  216   1HA   GLY  33          HA2       GLY  33  71.966   3.973  -0.338
  217   2HA   GLY  33          HA1       GLY  33  71.926   4.192   1.400
  218    H    PHE  34           HN       PHE  34  69.164   3.117  -0.504
  219    HA   PHE  34           HA       PHE  34  69.526   0.406   0.575
  220   1HB   PHE  34          HB2       PHE  34  67.271   2.282   0.950
  221   2HB   PHE  34          HB1       PHE  34  66.824   0.615   0.614
  222    HD1  PHE  34           HD1      PHE  34  67.833  -1.192   2.108
  223    HD2  PHE  34           HD2      PHE  34  67.928   2.950   3.085
  224    HE1  PHE  34           HE1      PHE  34  68.266  -1.762   4.460
  225    HE2  PHE  34           HE2      PHE  34  68.360   2.385   5.438
  226    HZ   PHE  34           HZ       PHE  34  68.530   0.027   6.129
  227    H    GLU  35           HN       GLU  35  68.335  -1.261  -0.574
  228    HA   GLU  35           HA       GLU  35  67.328  -0.565  -3.209
  229   1HB   GLU  35          HB2       GLU  35  69.909  -1.945  -2.722
  230   2HB   GLU  35          HB1       GLU  35  68.890  -2.613  -3.990
  231   1HG   GLU  35          HG2       GLU  35  68.802   0.017  -4.605
  232   2HG   GLU  35          HG1       GLU  35  70.416  -0.111  -3.907
  233    H    GLY  36           HN       GLY  36  68.520  -3.754  -2.244
  234   1HA   GLY  36          HA2       GLY  36  67.388  -5.762  -2.084
  235   2HA   GLY  36          HA1       GLY  36  66.311  -4.850  -1.027
  236    H    SER  37           HN       SER  37  64.545  -6.139  -1.767
  237    HA   SER  37           HA       SER  37  63.776  -5.987  -4.549
  238   1HB   SER  37          HB2       SER  37  62.703  -7.285  -2.086
  239   2HB   SER  37          HB1       SER  37  61.547  -6.905  -3.362
  240    HG   SER  37           HG       SER  37  62.607  -8.239  -4.734
  241    H    ALA  38           HN       ALA  38  63.746  -4.009  -1.912
  242    HA   ALA  38           HA       ALA  38  61.956  -2.101  -3.138
  243   1HB   ALA  38          HB1       ALA  38  60.227  -2.626  -1.839
  244   2HB   ALA  38          HB2       ALA  38  61.178  -2.009  -0.487
  245   3HB   ALA  38          HB3       ALA  38  61.204  -3.730  -0.872
  246    H    CYS  39           HN       CYS  39  63.110  -2.563   0.166
  247    HA   CYS  39           HA       CYS  39  65.195  -0.648  -0.160
  248   1HB   CYS  39          HB2       CYS  39  63.254   0.815   0.151
  249   2HB   CYS  39          HB1       CYS  39  62.873  -0.010   1.656
  250    H    GLN  40           HN       GLN  40  65.035  -3.412   0.638
  251    HA   GLN  40           HA       GLN  40  65.602  -3.324   3.507
  252   1HB   GLN  40          HB2       GLN  40  65.403  -5.709   3.509
  253   2HB   GLN  40          HB1       GLN  40  64.048  -5.053   2.603
  254   1HG   GLN  40          HG2       GLN  40  66.169  -5.558   0.785
  255   2HG   GLN  40          HG1       GLN  40  65.948  -6.983   1.793
  256   1HE2  GLN  40          HE21      GLN  40  63.790  -4.575   0.340
  257   2HE2  GLN  40          HE22      GLN  40  62.758  -5.718  -0.424
  258    H    ALA  41           HN       ALA  41  67.189  -3.839   0.442
  259    HA   ALA  41           HA       ALA  41  69.681  -4.524   1.835
  260   1HB   ALA  41          HB1       ALA  41  68.523  -5.594  -0.439
  261   2HB   ALA  41          HB2       ALA  41  70.175  -5.853   0.119
  262   3HB   ALA  41          HB3       ALA  41  69.830  -4.587  -1.059