*HEADER    TRANSPORT PROTEIN INHIBITOR             04-FEB-15   2MYZ              
*TITLE     THE SOLUTION STRUCTURE OF THE MAGNESIUM-BOUND CONANTOKIN-R1B MUTANT   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONANTOKIN-R1-B;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CON-R1-B;                                                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS ROLANI;                                   
*SOURCE   4 ORGANISM_COMMON: CONE SNAIL;                                         
*SOURCE   5 ORGANISM_TAXID: 745791                                               
*KEYWDS    TOXIN, NMDAR ANTAGONIST, METAL BINDING PROTEIN, TRANSPORT PROTEIN     
*KEYWDS   2 INHIBITOR                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    19                                                                    
*AUTHOR    S.KUNDA, Y.YUAN, R.D.BALSARA, J.ZAJICEK, F.J.CASTELLINO               
*REVDAT   1   17-JUN-15 2MYZ    0                                                


!strong 

assign (resid 2 and name HB#) (resid 2 and name HA) 2.5 0.7 0.5

assign (resid 3 and name HB2) (resid 3 and name HB1) 2.5 0.7 0.5

assign (resid 4 and name HA) (resid 4 and name HN) 2.5 0.7 0.5
assign (resid 4 and name HA) (resid 4 and name HG) 2.5 0.7 0.5
assign (resid 4 and name HB1) (resid 4 and name HN) 2.5 0.7 0.5
assign (resid 4 and name HN) (resid 5 and name HN) 2.5 0.7 0.5

assign (resid 5 and name HA) (resid 5 and name HN) 2.5 0.7 0.5
assign (resid 5 and name HB1) (resid 5 and name HN) 2.5 0.7 0.5
assign (resid 5 and name HB1) (resid 5 and name HB2) 2.5 0.7 0.5

assign (resid 6 and name HA) (resid 6 and name HN) 2.5 0.7 0.5
assign (resid 6 and name HB#) (resid 6 and name HA) 2.5 0.7 0.5
assign (resid 6 and name HB#) (resid 6 and name HN) 2.5 0.7 0.5
assign (resid 6 and name HN) (resid 7 and name HN) 2.5 0.7 0.5

assign (resid 7 and name HA) (resid 7 and name HN) 2.5 0.7 0.5
assign (resid 7 and name HB2) (resid 7 and name HN) 2.5 0.7 0.5
assign (resid 7 and name HB2) (resid 8 and name HN) 2.5 0.7 0.5
assign (resid 7 and name HG) (resid 7 and name HN) 2.5 0.7 0.5
assign (resid 7 and name HN) (resid 8 and name HN) 2.5 0.7 0.5

assign (resid 8 and name HA) (resid 8 and name HN) 2.5 0.7 0.5
assign (resid 8 and name HA) (resid 8 and name HB1) 2.5 0.7 0.5
assign (resid 8 and name HA) (resid 8 and name HB2) 2.5 0.7 0.5
assign (resid 8 and name HB1) (resid 8 and name HN) 2.5 0.7 0.5
assign (resid 8 and name HD21) (resid 8 and name HD22) 2.5 0.7 0.5
assign (resid 8 and name HN) (resid 9 and name HN) 2.5 0.7 0.5

assign (resid 9 and name HB1) (resid 9 and name HA) 2.5 0.7 0.5
assign (resid 9 and name HB1) (resid 9 and name HN) 2.5 0.7 0.5
assign (resid 9 and name HE22) (resid 9 and name HE21) 2.5 0.7 0.5
assign (resid 9 and name HN) (resid 10 and name HN) 2.5 0.7 0.5

assign (resid 10 and name HA) (resid 10 and name HN) 2.5 0.7 0.5
assign (resid 10 and name HB1) (resid 10 and name HN) 2.5 0.7 0.5
assign (resid 10 and name HB2) (resid 10 and name HG) 2.5 0.7 0.5
assign (resid 10 and name HB2) (resid 10 and name HN) 2.5 0.7 0.5
assign (resid 10 and name HN) (resid 11 and name HN) 2.5 0.7 0.5

assign (resid 11 and name HA) (resid 11 and name HN) 2.5 0.7 0.5
assign (resid 11 and name HA) (resid 11 and name HB2) 2.5 0.7 0.5
assign (resid 11 and name HA) (resid 11 and name HD#) 2.5 0.7 0.5
assign (resid 11 and name HB2) (resid 11 and name HA) 2.5 0.7 0.5
assign (resid 11 and name HB2) (resid 11 and name HD#) 2.5 0.7 1.5
assign (resid 11 and name HB2) (resid 11 and name HN) 2.5 0.7 0.5
assign (resid 11 and name HB1) (resid 11 and name HD#) 2.5 0.7 0.5
assign (resid 11 and name HB1) (resid 11 and name HN) 2.5 0.7 0.5
assign (resid 11 and name HB1) (resid 12 and name HN) 2.5 0.7 0.5
assign (resid 11 and name HN) (resid 12 and name HN) 2.5 0.7 0.5

assign (resid 12 and name HA) (resid 12 and name HN) 2.5 0.7 0.5
assign (resid 12 and name HB#) (resid 12 and name HA) 2.5 0.7 1.5
assign (resid 12 and name HB#) (resid 12 and name HN) 2.5 0.7 1.5
assign (resid 12 and name HN) (resid 13 and name HN) 2.5 0.7 0.5

assign (resid 13 and name HA) (resid 13 and name HN) 2.5 0.7 0.5
assign (resid 13 and name HB#) (resid 13 and name HA) 2.5 0.7 1.5
assign (resid 13 and name HB#) (resid 13 and name HN) 2.5 0.7 1.5
assign (resid 13 and name HD2) (resid 13 and name HD1) 2.5 0.7 0.5
assign (resid 13 and name HG#) (resid 13 and name HB#) 2.5 0.7 1.5
assign (resid 13 and name HN) (resid 14 and name HN) 2.5 0.7 0.5

assign (resid 14 and name HA) (resid 15 and name HN) 3.4 0.5 0.5  
assign (resid 14 and name HB1) (resid 14 and name HG) 2.5 0.7 0.5
assign (resid 14 and name HB1) (resid 14 and name HN) 2.5 0.7 0.5
assign (resid 14 and name HB1) (resid 15 and name HN) 2.5 0.7 0.5
assign (resid 14 and name HB2) (resid 14 and name HA) 2.5 0.7 0.5
assign (resid 14 and name HG) (resid 14 and name HN) 2.5 0.7 0.5

assign (resid 15 and name HB#) (resid 15 and name HN) 2.5 0.7 1.5
assign (resid 15 and name HG) (resid 13 and name HA) 2.5 0.7 0.5
assign (resid 15 and name HG) (resid 15 and name HN) 2.5 0.7 0.5
assign (resid 15 and name HN) (resid 16 and name HN) 2.5 0.7 0.5

assign (resid 16 and name HA) (resid 16 and name HN) 2.5 0.7 0.5
assign (resid 16 and name HB#) (resid 16 and name HN) 2.5 0.7 1.5
assign (resid 16 and name HN) (resid 17 and name HN) 2.5 0.7 0.5

assign (resid 17 and name HA) (resid 17 and name HN) 2.5 0.7 0.5
assign (resid 17 and name HB2) (resid 17 and name HN) 2.5 0.7 0.5
assign (resid 17 and name HD21) (resid 17 and name HD22) 2.5 0.7 0.5


!medium 

assign (resid 2 and name HA) (resid 4 and name HN) 4.4 0.5 0.5
assign (resid 2 and name HA) (resid 5 and name HN) 3.5 0.5 0.5
assign (resid 2 and name HA) (resid 5 and name HD1#) 3.5 0.5 1.5 
assign (resid 2 and name HB#) (resid 3 and name HN) 3.5 1.7 1.5

assign (resid 3 and name HA) (resid 6 and name HN) 3.5 0.5 0.5
assign (resid 3 and name HB1) (resid 3 and name HA) 3.5 1.7 0.5
assign (resid 3 and name HB1) (resid 3 and name HN) 3.5 1.7 0.5
assign (resid 3 and name HB2) (resid 3 and name HG) 3.5 1.7 0.5
assign (resid 3 and name HB2) (resid 3 and name HN) 3.5 1.7 0.5
assign (resid 3 and name HB2) (resid 4 and name HN) 3.5 1.7 0.5
assign (resid 3 and name HG) (resid 7 and name HG) 3.5 1.7 0.5
assign (resid 3 and name HN) (resid 4 and name HN) 2.5 0.7 0.5  

assign (resid 4 and name HB1) (resid 4 and name HA) 3.5 1.7 0.5
assign (resid 4 and name HB2) (resid 4 and name HA) 3.5 1.7 0.5
assign (resid 4 and name HB2) (resid 4 and name HG) 3.5 1.7 0.5
assign (resid 4 and name HB2) (resid 4 and name HN) 3.5 1.7 0.5
assign (resid 4 and name HB1) (resid 5 and name HN) 3.5 1.7 0.5

assign (resid 5 and name HB1) (resid 2 and name HA) 3.5 1.7 0.5
assign (resid 5 and name HB2) (resid 5 and name HA) 3.5 1.7 0.5
assign (resid 5 and name HB2) (resid 5 and name HN) 3.5 1.7 0.5

assign (resid 5 and name HB1) (resid 6 and name HA) 3.5 1.7 0.5
assign (resid 5 and name HB1) (resid 6 and name HN) 3.5 1.7 0.5
assign (resid 5 and name HB2) (resid 6 and name HN) 3.5 1.7 0.5
assign (resid 5 and name HD1#) (resid 5 and name HG) 3.5 1.7 1.5
assign (resid 5 and name HD2#) (resid 5 and name HA) 3.5 1.7 1.5
assign (resid 5 and name HD2#) (resid 5 and name HB2) 3.5 1.7 1.5
assign (resid 5 and name HG) (resid 5 and name HA) 3.5 1.7 0.5
assign (resid 5 and name HG) (resid 5 and name HN) 3.5 1.7 0.5

assign (resid 6 and name HA) (resid 7 and name HN) 3.5 0.5 0.5
assign (resid 6 and name HA) (resid 9 and name HN) 3.5 0.5 0.5

assign (resid 6 and name HA) (resid 8 and name HB1) 3.5 1.7 0.5
assign (resid 6 and name HA) (resid 8 and name HB2) 3.5 1.7 0.5
assign (resid 6 and name HA) (resid 8 and name HN) 4.4 0.5 0.5  
assign (resid 6 and name HB#) (resid 3 and name HA) 3.5 1.7 1.5
assign (resid 6 and name HB#) (resid 7 and name HN) 3.5 1.7 1.5

assign (resid 7 and name HB1) (resid 7 and name HG) 3.5 1.7 0.5
assign (resid 7 and name HB2) (resid 7 and name HA) 3.5 1.7 0.5
assign (resid 7 and name HB2) (resid 7 and name HG) 3.5 1.7 0.5
assign (resid 7 and name HB1) (resid 7 and name HN) 3.5 1.7 0.5
assign (resid 7 and name HB1) (resid 8 and name HN) 3.5 1.7 0.5
assign (resid 7 and name HG) (resid 3 and name HG) 3.5 1.7 0.5
assign (resid 7 and name HG) (resid 7 and name HA) 3.5 1.7 0.5

assign (resid 8 and name HB1) (resid 8 and name HD21) 3.5 1.7 0.5
assign (resid 8 and name HB1) (resid 9 and name HN) 3.5 1.7 0.5
assign (resid 8 and name HB2) (resid 8 and name HN) 3.5 1.7 0.5

assign (resid 9 and name HA) (resid 9 and name HB2) 3.5 1.7 0.5
assign (resid 9 and name HA) (resid 9 and name HN) 2.8 0.5 0.5     
assign (resid 9 and name HA) (resid 12 and name HN) 3.5 0.5 0.5    
assign (resid 9 and name HB1) (resid 10 and name HN) 3.5 1.7 0.5
assign (resid 9 and name HB2) (resid 9 and name HN) 3.5 1.7 0.5
assign (resid 9 and name HG1) (resid 9 and name HN) 3.5 1.7 0.5
assign (resid 9 and name HG2) (resid 9 and name HA) 3.5 1.7 0.5

assign (resid 10 and name HA) (resid 10 and name HB2) 3.5 1.7 0.5
assign (resid 10 and name HA) (resid 11 and name HB2) 3.5 1.7 2.0
assign (resid 10 and name HA) (resid 11 and name HB1) 3.5 1.7 2.0  
assign (resid 10 and name HA) (resid 11 and name HN) 3.5 0.5 0.5
assign (resid 10 and name HA) (resid 13 and name HN) 3.5 0.5 0.5
assign (resid 10 and name HB2) (resid 11 and name HN) 3.5 1.7 0.5

assign (resid 11 and name HA) (resid 11 and name HB1) 3.5 1.7 0.5
assign (resid 11 and name HA) (resid 14 and name HN) 3.5 0.5 0.5
assign (resid 11 and name HB2) (resid 12 and name HN) 3.5 1.7 0.5
assign (resid 11 and name HB1) (resid 11 and name HA) 3.5 1.7 0.5

assign (resid 13 and name HA) (resid 16 and name HN) 3.5 0.5 0.5
assign (resid 13 and name HB#) (resid 13 and name HD2) 3.5 1.7 1.5
assign (resid 13 and name HB#) (resid 14 and name HN) 3.5 1.7 1.5
assign (resid 13 and name HD1) (resid 13 and name HG#) 3.5 1.7 1.5
assign (resid 13 and name HD2) (resid 13 and name HG#) 3.5 1.7 1.5
assign (resid 13 and name HG#) (resid 13 and name HA) 3.5 1.7 1.5
assign (resid 13 and name HG#) (resid 13 and name HD1) 3.5 1.7 1.5
assign (resid 13 and name HG#) (resid 13 and name HD2) 3.5 1.7 1.5

assign (resid 14 and name HA) (resid 14 and name HN) 2.8 0.5 0.5   
assign (resid 14 and name HA) (resid 16 and name HN) 4.4 0.5 0.5   
assign (resid 14 and name HA) (resid 17 and name HN) 3.5 0.5 0.5
assign (resid 14 and name HB1) (resid 14 and name HA) 3.5 1.7 0.5
assign (resid 14 and name HB2) (resid 14 and name HN) 3.5 1.7 0.5
assign (resid 14 and name HB2) (resid 15 and name HN) 3.5 1.7 0.5
assign (resid 14 and name HG) (resid 14 and name HB1) 3.5 1.7 0.5

assign (resid 15 and name HB#) (resid 16 and name HN) 3.5 1.7 1.5
assign (resid 15 and name HD1#) (resid 15 and name HA) 3.5 1.7 2.0
assign (resid 15 and name HD1#) (resid 15 and name HB#) 3.5 1.7 2.0
assign (resid 15 and name HD1#) (resid 15 and name HG) 3.5 1.7 1.5
assign (resid 15 and name HD2#) (resid 15 and name HB#) 3.5 1.7 1.5
assign (resid 15 and name HD2#) (resid 15 and name HG) 3.5 1.7 1.5

assign (resid 16 and name HA) (resid 17 and name HN) 3.5 0.5 0.5
assign (resid 16 and name HB#) (resid 14 and name HA) 3.5 1.7 1.5  
assign (resid 16 and name HB#) (resid 17 and name HN) 3.5 1.7 1.5
assign (resid 16 and name HB#) (resid 13 and name HD1) 3.5 1.7 2.0  
assign (resid 16 and name HB#) (resid 13 and name HD2) 3.5 1.7 2.0   
assign (resid 17 and name HA) (resid 17 and name HB1) 3.5 1.7 0.5
assign (resid 17 and name HB1) (resid 17 and name HN) 3.5 1.7 0.5

!weak  

assign (resid 2 and name HA) (resid 3 and name HN) 3.4 0.5 0.5   
assign (resid 2 and name HG#) (resid 2 and name HA) 4.0 2.2 1.7

assign (resid 3 and name HA) (resid 3 and name HG) 4.0 2.2 1.7
assign (resid 3 and name HA) (resid 3 and name HG) 4.0 2.2 1.7
assign (resid 3 and name HA) (resid 4 and name HN) 3.5 0.5 0.5   
assign (resid 3 and name HA) (resid 7 and name HN) 4.4 2.2 2.0
assign (resid 3 and name HB1) (resid 3 and name HG) 4.0 2.2 1.7
assign (resid 3 and name HB1) (resid 4 and name HN) 4.0 2.2 0.5
assign (resid 3 and name HB2) (resid 3 and name HA) 4.0 2.2 1.7
assign (resid 3 and name HG) (resid 3 and name HA) 4.0 2.2 1.7
assign (resid 3 and name HG) (resid 4 and name HN) 4.0 2.2 1.7

assign (resid 4 and name HA) (resid 3 and name HG) 4.0 2.2 1.7
assign (resid 4 and name HA) (resid 5 and name HN) 3.5 0.5 0.5   
assign (resid 4 and name HA) (resid 7 and name HN) 3.5 0.5 0.5   
assign (resid 4 and name HA) (resid 8 and name HN) 4.4 0.5 0.5
assign (resid 4 and name HB1) (resid 4 and name HG) 4.0 2.2 1.7
assign (resid 4 and name HB1) (resid 5 and name HA) 4.0 2.2 1.7
assign (resid 4 and name HB2) (resid 5 and name HN) 4.0 2.2 1.7
assign (resid 4 and name HG) (resid 4 and name HN) 4.0 2.2 1.7

assign (resid 5 and name HD1#) (resid 2 and name HA) 4.0 2.2 1.7
assign (resid 5 and name HD1#) (resid 5 and name HB1) 4.0 2.2 1.7

assign (resid 6 and name HA) (resid 8 and name HD21) 4.0 2.2 1.7
assign (resid 6 and name HA) (resid 10 and name HN) 4.4 0.5 0.5  

assign (resid 7 and name HA) (resid 8 and name HN) 3.4 0.5 0.5   
assign (resid 7 and name HA) (resid 10 and name HN) 3.4 0.5 0.5  
assign (resid 7 and name HA) (resid 11 and name HN) 4.4 0.5 0.5
assign (resid 7 and name HG) (resid 8 and name HN) 4.0 2.2 1.7

assign (resid 8 and name HB1) (resid 8 and name HD22) 4.0 2.2 1.7
assign (resid 8 and name HB2) (resid 6 and name HA) 4.0 2.2 1.7
assign (resid 8 and name HB2) (resid 8 and name HD21) 4.0 2.2 1.7
assign (resid 8 and name HB2) (resid 9 and name HN) 4.0 2.2 1.7
assign (resid 8 and name HN) (resid 6 and name HN) 4.0 2.2 1.7

assign (resid 9 and name HA) (resid 10 and name HN) 3.4 0.5 0.5  
assign (resid 9 and name HG1) (resid 9 and name HA) 4.0 2.2 1.7
assign (resid 9 and name HG2) (resid 9 and name HN) 4.0 2.2 1.7

assign (resid 10 and name HA) (resid 12 and name HN) 4.4 2.6 2.0  
assign (resid 10 and name HA) (resid 14 and name HN) 4.4 0.5 0.5  
assign (resid 10 and name HB1) (resid 11 and name HN) 4.0 2.2 1.7
assign (resid 10 and name HG) (resid 10 and name HN) 4.0 2.2 1.7
assign (resid 10 and name HG) (resid 11 and name HA) 4.0 2.2 1.7
assign (resid 10 and name HG) (resid 11 and name HN) 4.0 2.2 1.7
assign (resid 10 and name HG) (resid 13 and name HN) 4.0 2.2 1.7
assign (resid 10 and name HN) (resid 13 and name HN) 4.9 2.2 2.0

assign (resid 11 and name HA) (resid 12 and name HN) 3.4 0.5 0.5  
assign (resid 11 and name HA) (resid 15 and name HN) 4.4 0.5 0.5  
assign (resid 11 and name HA) (resid 14 and name HB2)  4.0 2.2 1.7
assign (resid 11 and name HB1) (resid 11 and name HE#) 4.0 2.2 1.7
assign (resid 11 and name HD#) (resid 11 and name HN) 4.0 2.2 1.7
assign (resid 11 and name HD#) (resid 12 and name HN) 4.0 2.2 1.7
assign (resid 11 and name HN) (resid 13 and name HN) 4.4 0.5 0.5  

assign (resid 13 and name HA) (resid 14 and name HN) 3.4 0.5 0.5
assign (resid 13 and name HB#) (resid 13 and name HD1) 4.0 2.2 1.7
assign (resid 13 and name HB#) (resid 14 and name HG) 4.0 2.2 1.7
assign (resid 13 and name HG#) (resid 13 and name HN) 4.0 2.2 1.7

assign (resid 14 and name HA) (resid 18 and name HN2) 4.0 2.2 1.7
assign (resid 14 and name HN) (resid 16 and name HN) 4.0 0.5 0.5  

assign (resid 15 and name HD1#) (resid 15 and name HN) 4.0 2.2 1.7
assign (resid 15 and name HD2#) (resid 15 and name HN) 4.0 2.2 1.7
assign (resid 15 and name HN) (resid 17 and name HN) 4.0 0.5 0.5

assign (resid 17 and name HB2) (resid 17 and name HD21) 4.0 2.2 1.7


assign (residue 3 and name O1#) (residue 100 and name MG) 3.0 1.2 0.5

assign (residue 7 and name O1#) (residue 100 and name MG) 3.0 1.2 0.5

assign (residue 3 and name O2#) (residue 100 and name MG) 3.0 1.2 0.5

assign (residue 7 and name O2#) (residue 100 and name MG) 3.0 1.2 0.5

assign (residue 10 and name O1#) (residue 101 and name MG) 3.0 1.2 0.5

assign (residue 14 and name O1#) (residue 101 and name MG) 3.0 1.2 0.5

assign (residue 10 and name O2#) (residue 101 and name MG) 3.0 1.2 0.5

assign (residue 14 and name O2#) (residue 101 and name MG) 3.0 1.2 0.5

END
set message=off echo=off end
restraints dihedral reset

!# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree.

assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -62.4   20.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -30.2   36.1 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -71.8   29.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -34.3   39.9 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -61.7   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -41.1   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -63.5   20.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -40.3   20.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -63.7   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -45.0   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -67.6   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -37.1   22.8 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -65.4   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -39.0   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -65.9   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -41.0   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -66.3   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -35.7   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -63.0   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -46.1   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -63.4   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -38.7   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -65.9   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -43.4   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -65.6   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -37.8   20.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -68.5   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -38.9   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -64.5   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -37.0   27.9 2
set message=on echo=on 
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1   1.388  -2.559   1.674
    2    H2   GLY   1           HT2      GLY   1   3.040  -2.680   2.054
    3    H3   GLY   1           HT3      GLY   1   2.162  -1.294   2.497
    4    HA2  GLY   1           HA1      GLY   1   0.973  -2.407   4.151
    5    HA3  GLY   1           HA2      GLY   1   1.452  -3.979   3.511
    6    H    GLU   2           HN       GLU   2   2.291  -4.453   5.686
    7    HA   GLU   2           HA       GLU   2   4.224  -2.972   7.083
    8    HB2  GLU   2           HB2      GLU   2   3.941  -5.977   6.799
    9    HB3  GLU   2           HB1      GLU   2   4.996  -5.194   7.976
   10    HG2  GLU   2           HG2      GLU   2   3.035  -4.001   8.918
   11    HG3  GLU   2           HG1      GLU   2   1.990  -4.841   7.772
   12    H    CGU   3           HN       GLA   3   4.499  -4.192   3.963
   13    HA   CGU   3           HA       GLA   3   7.340  -4.842   4.030
   14    HB2  CGU   3           HB2      GLA   3   5.486  -4.237   1.702
   15    HB3  CGU   3           HB3      GLA   3   5.884  -5.843   2.322
   16    HG   CGU   3           HG       GLA   3   8.021  -3.937   1.336
   17    H    CGU   4           HN       GLA   4   5.468  -2.143   2.601
   18    HA   CGU   4           HA       GLA   4   7.574  -0.513   1.775
   19    HB2  CGU   4           HB2      GLA   4   5.015   0.376   3.144
   20    HB3  CGU   4           HB3      GLA   4   5.201   0.058   1.418
   21    HG   CGU   4           HG       GLA   4   6.805   2.126   2.955
   22    H    LEU   5           HN       LEU   5   6.355  -1.026   5.049
   23    HA   LEU   5           HA       LEU   5   7.580   1.052   6.448
   24    HB2  LEU   5           HB2      LEU   5   6.187  -1.101   7.212
   25    HB3  LEU   5           HB1      LEU   5   7.808  -1.687   7.608
   26    HG   LEU   5           HG       LEU   5   6.650   0.959   8.533
   27   HD11  LEU   5          HD11      LEU   5   6.340  -0.058  10.677
   28   HD12  LEU   5          HD12      LEU   5   7.209  -1.513  10.187
   29   HD13  LEU   5          HD13      LEU   5   5.619  -1.164   9.508
   30   HD21  LEU   5          HD21      LEU   5   8.918   1.337   8.656
   31   HD22  LEU   5          HD22      LEU   5   9.306  -0.382   8.733
   32   HD23  LEU   5          HD23      LEU   5   8.725   0.457  10.172
   33    H    ALA   6           HN       ALA   6   9.066  -2.032   5.422
   34    HA   ALA   6           HA       ALA   6  11.657  -1.250   6.540
   35    HB1  ALA   6           HB1      ALA   6  10.597  -3.604   5.008
   36    HB2  ALA   6           HB2      ALA   6  11.442  -3.563   6.555
   37    HB3  ALA   6           HB3      ALA   6  12.340  -3.340   5.054
   38    H    CGU   7           HN       GLA   7  10.307  -1.593   3.211
   39    HA   CGU   7           HA       GLA   7  12.567  -0.960   1.701
   40    HB2  CGU   7           HB2      GLA   7  11.038   0.109   0.069
   41    HB3  CGU   7           HB3      GLA   7   9.768   0.156   1.292
   42    HG   CGU   7           HG       GLA   7   9.851  -2.321   1.446
   43    H    ASN   8           HN       ASN   8  10.697   1.032   3.811
   44    HA   ASN   8           HA       ASN   8  11.266   3.643   3.206
   45    HB2  ASN   8           HB2      ASN   8  10.225   2.403   5.340
   46    HB3  ASN   8           HB1      ASN   8  11.818   2.751   6.004
   47   HD21  ASN   8          HD21      ASN   8  11.230   4.438   7.424
   48   HD22  ASN   8          HD22      ASN   8  10.580   5.927   6.894
   49    H    GLN   9           HN       GLN   9  13.488   1.379   4.884
   50    HA   GLN   9           HA       GLN   9  15.633   3.391   4.838
   51    HB2  GLN   9           HB2      GLN   9  16.926   1.805   6.086
   52    HB3  GLN   9           HB1      GLN   9  15.281   1.710   6.718
   53    HG2  GLN   9           HG2      GLN   9  14.929  -0.185   5.004
   54    HG3  GLN   9           HG1      GLN   9  16.686  -0.214   4.865
   55   HE21  GLN   9          HE21      GLN   9  14.109  -1.531   6.612
   56   HE22  GLN   9          HE22      GLN   9  14.975  -2.055   7.985
   57    H    CGU  10           HN       GLA  10  14.923   0.283   3.242
   58    HA   CGU  10           HA       GLA  10  17.266  -0.130   1.817
   59    HB2  CGU  10           HB2      GLA  10  14.465  -0.380   0.685
   60    HB3  CGU  10           HB3      GLA  10  15.250  -1.593   1.693
   61    HG   CGU  10           HG       GLA  10  17.098  -1.706  -0.027
   62    H    PHE  11           HN       PHE  11  14.965   2.407   1.422
   63    HA   PHE  11           HA       PHE  11  15.305   3.350  -1.140
   64    HB2  PHE  11           HB2      PHE  11  14.071   4.393   0.854
   65    HB3  PHE  11           HB1      PHE  11  15.604   5.170   1.243
   66    HD1  PHE  11           HD1      PHE  11  16.775   6.493  -0.661
   67    HD2  PHE  11           HD2      PHE  11  12.632   5.360  -0.746
   68    HE1  PHE  11           HE1      PHE  11  16.337   8.227  -2.378
   69    HE2  PHE  11           HE2      PHE  11  12.194   7.095  -2.464
   70    HZ   PHE  11           HZ       PHE  11  14.046   8.529  -3.280
   71    H    ALA  12           HN       ALA  12  17.607   3.810   1.556
   72    HA   ALA  12           HA       ALA  12  19.498   5.398   0.166
   73    HB1  ALA  12           HB1      ALA  12  20.830   5.107   2.004
   74    HB2  ALA  12           HB2      ALA  12  20.562   3.364   2.051
   75    HB3  ALA  12           HB3      ALA  12  19.341   4.462   2.694
   76    H    ARG  13           HN       ARG  13  18.938   1.922   0.081
   77    HA   ARG  13           HA       ARG  13  21.421   1.450  -1.430
   78    HB2  ARG  13           HB2      ARG  13  20.518  -0.241   0.184
   79    HB3  ARG  13           HB1      ARG  13  19.122  -0.450  -0.873
   80    HG2  ARG  13           HG2      ARG  13  21.780  -0.666  -2.175
   81    HG3  ARG  13           HG1      ARG  13  21.355  -1.969  -1.066
   82    HD2  ARG  13           HD2      ARG  13  19.244  -2.333  -2.277
   83    HD3  ARG  13           HD1      ARG  13  19.639  -1.012  -3.379
   84    HE   ARG  13           HE       ARG  13  21.737  -3.006  -3.333
   85   HH11  ARG  13          HH11      ARG  13  19.187  -4.569  -3.798
   86   HH12  ARG  13          HH12      ARG  13  19.068  -4.531  -5.526
   87   HH21  ARG  13          HH21      ARG  13  21.341  -1.938  -5.890
   88   HH22  ARG  13          HH22      ARG  13  20.284  -3.037  -6.710
   89    H    CGU  14           HN       GLA  14  17.975   1.858  -2.067
   90    HA   CGU  14           HA       GLA  14  17.717   0.822  -4.620
   91    HB2  CGU  14           HB2      GLA  14  16.401   3.285  -4.614
   92    HB3  CGU  14           HB3      GLA  14  16.450   2.805  -2.932
   93    HG   CGU  14           HG       GLA  14  15.554   0.586  -3.566
   94    H    LEU  15           HN       LEU  15  19.193   3.889  -3.611
   95    HA   LEU  15           HA       LEU  15  19.558   5.149  -6.079
   96    HB2  LEU  15           HB2      LEU  15  21.468   6.266  -5.094
   97    HB3  LEU  15           HB1      LEU  15  20.261   6.039  -3.831
   98    HG   LEU  15           HG       LEU  15  21.537   3.787  -3.380
   99   HD11  LEU  15          HD11      LEU  15  23.441   3.455  -4.534
  100   HD12  LEU  15          HD12      LEU  15  24.077   4.997  -3.965
  101   HD13  LEU  15          HD13      LEU  15  23.134   4.929  -5.451
  102   HD21  LEU  15          HD21      LEU  15  21.380   5.828  -1.893
  103   HD22  LEU  15          HD22      LEU  15  22.862   6.416  -2.646
  104   HD23  LEU  15          HD23      LEU  15  22.880   4.917  -1.717
  105    H    ALA  16           HN       ALA  16  21.277   2.382  -4.736
  106    HA   ALA  16           HA       ALA  16  23.531   2.177  -6.322
  107    HB1  ALA  16           HB1      ALA  16  22.561   0.489  -4.610
  108    HB2  ALA  16           HB2      ALA  16  23.462  -0.163  -5.979
  109    HB3  ALA  16           HB3      ALA  16  21.699  -0.198  -5.986
  110    H    ASN  17           HN       ASN  17  20.184   1.834  -7.333
  111    HA   ASN  17           HA       ASN  17  20.545   0.540  -9.820
  112    HB2  ASN  17           HB2      ASN  17  18.325   1.088  -8.843
  113    HB3  ASN  17           HB1      ASN  17  18.611   2.793  -9.195
  114   HD21  ASN  17          HD21      ASN  17  17.956   3.506 -11.239
  115   HD22  ASN  17          HD22      ASN  17  17.598   2.478 -12.554
  116    HN1  NH2  18           H1       NH2  18  19.470   3.774 -10.434
  117    HN2  NH2  18           H2       NH2  18  20.840   4.297 -11.291
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1   0.378  -4.457   6.273
    2    H2   GLY   1           HT2      GLY   1   2.026  -4.864   6.331
    3    H3   GLY   1           HT3      GLY   1   1.411  -3.985   5.013
    4    HA2  GLY   1           HA1      GLY   1   1.264  -2.033   6.170
    5    HA3  GLY   1           HA2      GLY   1   1.139  -2.872   7.716
    6    H    GLU   2           HN       GLU   2   3.332  -4.648   7.406
    7    HA   GLU   2           HA       GLU   2   5.518  -2.851   8.079
    8    HB2  GLU   2           HB2      GLU   2   5.523  -5.855   7.642
    9    HB3  GLU   2           HB1      GLU   2   6.811  -4.921   8.403
   10    HG2  GLU   2           HG2      GLU   2   3.958  -5.070   9.419
   11    HG3  GLU   2           HG1      GLU   2   5.310  -5.993  10.078
   12    H    CGU   3           HN       GLA   3   4.331  -4.182   5.168
   13    HA   CGU   3           HA       GLA   3   6.727  -4.557   3.684
   14    HB2  CGU   3           HB2      GLA   3   3.993  -3.600   2.781
   15    HB3  CGU   3           HB3      GLA   3   4.586  -5.264   2.775
   16    HG   CGU   3           HG       GLA   3   5.750  -2.968   1.164
   17    H    CGU   4           HN       GLA   4   4.575  -1.696   3.500
   18    HA   CGU   4           HA       GLA   4   6.335   0.012   2.153
   19    HB2  CGU   4           HB2      GLA   4   4.459   0.827   4.393
   20    HB3  CGU   4           HB3      GLA   4   3.951   0.528   2.731
   21    HG   CGU   4           HG       GLA   4   5.592   2.291   1.994
   22    H    LEU   5           HN       LEU   5   6.362  -0.990   5.509
   23    HA   LEU   5           HA       LEU   5   8.149   1.036   6.489
   24    HB2  LEU   5           HB2      LEU   5   6.686  -0.940   7.652
   25    HB3  LEU   5           HB1      LEU   5   8.299  -1.661   7.705
   26    HG   LEU   5           HG       LEU   5   7.560   1.089   8.744
   27   HD11  LEU   5          HD11      LEU   5   8.257  -0.052  10.944
   28   HD12  LEU   5          HD12      LEU   5   8.084  -1.575  10.071
   29   HD13  LEU   5          HD13      LEU   5   6.691  -0.511  10.273
   30   HD21  LEU   5          HD21      LEU   5   9.927   0.837   9.745
   31   HD22  LEU   5          HD22      LEU   5   9.820   1.199   8.022
   32   HD23  LEU   5          HD23      LEU   5  10.156  -0.448   8.558
   33    H    ALA   6           HN       ALA   6   8.654  -2.033   4.830
   34    HA   ALA   6           HA       ALA   6  11.546  -1.998   5.354
   35    HB1  ALA   6           HB1      ALA   6  11.521  -4.139   4.564
   36    HB2  ALA   6           HB2      ALA   6  10.519  -3.719   3.174
   37    HB3  ALA   6           HB3      ALA   6   9.772  -3.999   4.748
   38    H    CGU   7           HN       GLA   7   9.406  -1.465   2.509
   39    HA   CGU   7           HA       GLA   7  11.317  -0.999   0.523
   40    HB2  CGU   7           HB2      GLA   7   9.702   0.736  -0.381
   41    HB3  CGU   7           HB3      GLA   7   8.758   0.537   1.095
   42    HG   CGU   7           HG       GLA   7   8.535  -1.894   0.583
   43    H    ASN   8           HN       ASN   8  10.490   0.881   3.296
   44    HA   ASN   8           HA       ASN   8  11.468   3.413   2.914
   45    HB2  ASN   8           HB2      ASN   8  10.699   2.013   5.061
   46    HB3  ASN   8           HB1      ASN   8  12.439   1.916   5.313
   47   HD21  ASN   8          HD21      ASN   8  12.788   3.415   6.955
   48   HD22  ASN   8          HD22      ASN   8  12.331   5.060   6.871
   49    H    GLN   9           HN       GLN   9  13.461   0.541   3.708
   50    HA   GLN   9           HA       GLN   9  15.942   2.056   3.397
   51    HB2  GLN   9           HB2      GLN   9  17.053   0.051   3.999
   52    HB3  GLN   9           HB1      GLN   9  15.554   0.023   4.929
   53    HG2  GLN   9           HG2      GLN   9  14.520  -1.371   3.120
   54    HG3  GLN   9           HG1      GLN   9  16.093  -1.436   2.326
   55   HE21  GLN   9          HE21      GLN   9  16.686  -1.316   5.620
   56   HE22  GLN   9          HE22      GLN   9  16.815  -2.988   5.930
   57    H    CGU  10           HN       GLA  10  14.218  -0.444   1.528
   58    HA   CGU  10           HA       GLA  10  16.018  -0.922  -0.516
   59    HB2  CGU  10           HB2      GLA  10  13.057  -0.435  -0.887
   60    HB3  CGU  10           HB3      GLA  10  13.774  -1.961  -0.376
   61    HG   CGU  10           HG       GLA  10  14.369  -0.546  -2.991
   62    H    PHE  11           HN       PHE  11  14.430   2.007   0.186
   63    HA   PHE  11           HA       PHE  11  14.901   3.182  -2.452
   64    HB2  PHE  11           HB2      PHE  11  12.980   3.812  -1.087
   65    HB3  PHE  11           HB1      PHE  11  14.057   4.367   0.190
   66    HD1  PHE  11           HD1      PHE  11  15.800   6.202  -0.452
   67    HD2  PHE  11           HD2      PHE  11  12.310   5.292  -2.787
   68    HE1  PHE  11           HE1      PHE  11  15.965   8.413  -1.562
   69    HE2  PHE  11           HE2      PHE  11  12.476   7.504  -3.896
   70    HZ   PHE  11           HZ       PHE  11  14.303   9.064  -3.283
   71    H    ALA  12           HN       ALA  12  16.295   3.497   0.817
   72    HA   ALA  12           HA       ALA  12  18.218   5.504   0.120
   73    HB1  ALA  12           HB1      ALA  12  18.469   5.430   2.354
   74    HB2  ALA  12           HB2      ALA  12  19.287   3.876   2.191
   75    HB3  ALA  12           HB3      ALA  12  17.540   3.932   2.429
   76    H    ARG  13           HN       ARG  13  18.332   1.958   0.053
   77    HA   ARG  13           HA       ARG  13  21.152   1.932  -0.721
   78    HB2  ARG  13           HB2      ARG  13  19.034  -0.235  -0.651
   79    HB3  ARG  13           HB1      ARG  13  20.721  -0.523  -1.077
   80    HG2  ARG  13           HG2      ARG  13  20.017   0.877   1.495
   81    HG3  ARG  13           HG1      ARG  13  19.992  -0.884   1.400
   82    HD2  ARG  13           HD2      ARG  13  22.341  -0.808   0.516
   83    HD3  ARG  13           HD1      ARG  13  22.349   0.932   0.817
   84    HE   ARG  13           HE       ARG  13  22.683  -1.121   2.821
   85   HH11  ARG  13          HH11      ARG  13  23.771   1.647   3.057
   86   HH12  ARG  13          HH12      ARG  13  22.779   2.329   4.304
   87   HH21  ARG  13          HH21      ARG  13  20.329  -0.115   4.054
   88   HH22  ARG  13          HH22      ARG  13  20.827   1.331   4.867
   89    H    CGU  14           HN       GLA  14  18.084   2.116  -2.355
   90    HA   CGU  14           HA       GLA  14  18.633   1.031  -4.854
   91    HB2  CGU  14           HB2      GLA  14  17.226   3.399  -5.292
   92    HB3  CGU  14           HB3      GLA  14  16.821   2.950  -3.648
   93    HG   CGU  14           HG       GLA  14  16.252   0.679  -4.422
   94    H    LEU  15           HN       LEU  15  19.548   4.209  -3.542
   95    HA   LEU  15           HA       LEU  15  20.542   5.466  -5.831
   96    HB2  LEU  15           HB2      LEU  15  22.106   6.649  -4.327
   97    HB3  LEU  15           HB1      LEU  15  20.508   6.523  -3.598
   98    HG   LEU  15           HG       LEU  15  21.447   4.300  -2.565
   99   HD11  LEU  15          HD11      LEU  15  23.625   3.872  -2.913
  100   HD12  LEU  15          HD12      LEU  15  24.053   5.425  -2.199
  101   HD13  LEU  15          HD13      LEU  15  23.748   5.305  -3.930
  102   HD21  LEU  15          HD21      LEU  15  20.809   6.463  -1.395
  103   HD22  LEU  15          HD22      LEU  15  22.500   6.945  -1.527
  104   HD23  LEU  15          HD23      LEU  15  22.059   5.519  -0.586
  105    H    ALA  16           HN       ALA  16  21.962   2.820  -3.989
  106    HA   ALA  16           HA       ALA  16  24.596   2.779  -4.824
  107    HB1  ALA  16           HB1      ALA  16  24.572   0.412  -4.537
  108    HB2  ALA  16           HB2      ALA  16  22.866   0.303  -4.969
  109    HB3  ALA  16           HB3      ALA  16  23.341   1.028  -3.433
  110    H    ASN  17           HN       ASN  17  21.740   2.171  -6.775
  111    HA   ASN  17           HA       ASN  17  21.579   1.464  -9.044
  112    HB2  ASN  17           HB2      ASN  17  22.030   3.988  -8.939
  113    HB3  ASN  17           HB1      ASN  17  23.693   3.597  -9.379
  114   HD21  ASN  17          HD21      ASN  17  23.868   4.108 -11.580
  115   HD22  ASN  17          HD22      ASN  17  22.768   3.595 -12.780
  116    HN1  NH2  18           H1       NH2  18  22.833  -0.646  -8.459
  117    HN2  NH2  18           H2       NH2  18  24.332  -0.878  -9.222
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1   1.440  -2.278   7.471
    2    H2   GLY   1           HT2      GLY   1   1.572  -3.944   7.774
    3    H3   GLY   1           HT3      GLY   1   0.256  -3.341   6.882
    4    HA2  GLY   1           HA1      GLY   1   1.937  -4.410   5.464
    5    HA3  GLY   1           HA2      GLY   1   1.679  -2.707   5.078
    6    H    GLU   2           HN       GLU   2   3.862  -4.978   6.685
    7    HA   GLU   2           HA       GLU   2   5.823  -3.019   7.465
    8    HB2  GLU   2           HB2      GLU   2   7.344  -4.965   7.682
    9    HB3  GLU   2           HB1      GLU   2   5.783  -5.279   8.440
   10    HG2  GLU   2           HG2      GLU   2   5.039  -6.533   6.485
   11    HG3  GLU   2           HG1      GLU   2   6.531  -6.141   5.631
   12    H    CGU   3           HN       GLA   3   4.831  -4.051   4.429
   13    HA   CGU   3           HA       GLA   3   7.300  -4.179   2.991
   14    HB2  CGU   3           HB2      GLA   3   4.573  -3.245   2.039
   15    HB3  CGU   3           HB3      GLA   3   5.149  -4.915   2.026
   16    HG   CGU   3           HG       GLA   3   6.391  -2.593   0.511
   17    H    CGU   4           HN       GLA   4   4.963  -1.465   2.908
   18    HA   CGU   4           HA       GLA   4   6.706   0.457   1.837
   19    HB2  CGU   4           HB2      GLA   4   4.550   0.958   3.913
   20    HB3  CGU   4           HB3      GLA   4   4.254   0.783   2.182
   21    HG   CGU   4           HG       GLA   4   6.037   2.889   3.454
   22    H    LEU   5           HN       LEU   5   6.192  -0.417   5.251
   23    HA   LEU   5           HA       LEU   5   7.890   1.546   6.401
   24    HB2  LEU   5           HB2      LEU   5   6.306  -0.402   7.411
   25    HB3  LEU   5           HB1      LEU   5   7.884  -1.166   7.623
   26    HG   LEU   5           HG       LEU   5   7.337   1.671   8.509
   27   HD11  LEU   5          HD11      LEU   5   7.405   0.214  10.817
   28   HD12  LEU   5          HD12      LEU   5   6.551  -0.896   9.745
   29   HD13  LEU   5          HD13      LEU   5   5.919   0.727  10.020
   30   HD21  LEU   5          HD21      LEU   5   9.651   0.026   8.343
   31   HD22  LEU   5          HD22      LEU   5   9.255   0.179  10.054
   32   HD23  LEU   5          HD23      LEU   5   9.518   1.624   9.078
   33    H    ALA   6           HN       ALA   6   8.611  -1.648   5.035
   34    HA   ALA   6           HA       ALA   6  11.438  -1.470   5.787
   35    HB1  ALA   6           HB1      ALA   6  11.661  -3.618   4.843
   36    HB2  ALA   6           HB2      ALA   6  10.317  -3.371   3.728
   37    HB3  ALA   6           HB3      ALA   6  10.004  -3.619   5.446
   38    H    CGU   7           HN       GLA   7   9.478  -0.867   2.872
   39    HA   CGU   7           HA       GLA   7  11.449  -0.702   0.900
   40    HB2  CGU   7           HB2      GLA   7  10.095   1.250  -0.028
   41    HB3  CGU   7           HB3      GLA   7   9.096   1.140   1.422
   42    HG   CGU   7           HG       GLA   7   8.544  -1.198   0.873
   43    H    ASN   8           HN       ASN   8  10.784   1.433   3.573
   44    HA   ASN   8           HA       ASN   8  12.220   3.730   3.105
   45    HB2  ASN   8           HB2      ASN   8  11.106   2.614   5.292
   46    HB3  ASN   8           HB1      ASN   8  12.798   2.290   5.654
   47   HD21  ASN   8          HD21      ASN   8  13.100   3.840   7.300
   48   HD22  ASN   8          HD22      ASN   8  12.973   5.523   7.038
   49    H    GLN   9           HN       GLN   9  13.568   0.599   4.180
   50    HA   GLN   9           HA       GLN   9  16.314   1.513   4.057
   51    HB2  GLN   9           HB2      GLN   9  15.039  -0.627   5.204
   52    HB3  GLN   9           HB1      GLN   9  15.814  -1.383   3.812
   53    HG2  GLN   9           HG2      GLN   9  17.981  -0.570   4.482
   54    HG3  GLN   9           HG1      GLN   9  17.267   0.430   5.749
   55   HE21  GLN   9          HE21      GLN   9  18.703  -2.594   5.165
   56   HE22  GLN   9          HE22      GLN   9  18.188  -3.387   6.585
   57    H    CGU  10           HN       GLA  10  14.189  -0.344   1.893
   58    HA   CGU  10           HA       GLA  10  16.234  -0.890  -0.056
   59    HB2  CGU  10           HB2      GLA  10  13.239  -0.738  -0.443
   60    HB3  CGU  10           HB3      GLA  10  14.114  -2.172   0.083
   61    HG   CGU  10           HG       GLA  10  14.506  -0.718  -2.548
   62    H    PHE  11           HN       PHE  11  14.439   1.847   0.735
   63    HA   PHE  11           HA       PHE  11  14.631   3.122  -1.892
   64    HB2  PHE  11           HB2      PHE  11  12.770   3.547  -0.350
   65    HB3  PHE  11           HB1      PHE  11  13.900   4.196   0.832
   66    HD1  PHE  11           HD1      PHE  11  13.178   4.620  -2.833
   67    HD2  PHE  11           HD2      PHE  11  14.061   6.520   0.916
   68    HE1  PHE  11           HE1      PHE  11  13.055   6.841  -3.930
   69    HE2  PHE  11           HE2      PHE  11  13.936   8.741  -0.180
   70    HZ   PHE  11           HZ       PHE  11  13.434   8.901  -2.603
   71    H    ALA  12           HN       ALA  12  16.497   2.986   1.063
   72    HA   ALA  12           HA       ALA  12  18.099   5.349   0.403
   73    HB1  ALA  12           HB1      ALA  12  19.239   3.463   2.341
   74    HB2  ALA  12           HB2      ALA  12  17.590   3.952   2.732
   75    HB3  ALA  12           HB3      ALA  12  18.848   5.173   2.532
   76    H    ARG  13           HN       ARG  13  18.483   1.818   0.211
   77    HA   ARG  13           HA       ARG  13  21.208   2.085  -0.849
   78    HB2  ARG  13           HB2      ARG  13  20.639   0.139   0.542
   79    HB3  ARG  13           HB1      ARG  13  19.401  -0.341  -0.620
   80    HG2  ARG  13           HG2      ARG  13  21.155  -0.543  -2.371
   81    HG3  ARG  13           HG1      ARG  13  22.378  -0.138  -1.168
   82    HD2  ARG  13           HD2      ARG  13  20.471  -2.475  -0.887
   83    HD3  ARG  13           HD1      ARG  13  22.095  -2.618  -1.569
   84    HE   ARG  13           HE       ARG  13  22.276  -1.326   0.972
   85   HH11  ARG  13          HH11      ARG  13  20.297  -3.542   1.550
   86   HH12  ARG  13          HH12      ARG  13  21.352  -4.839   2.003
   87   HH21  ARG  13          HH21      ARG  13  24.188  -3.353   0.673
   88   HH22  ARG  13          HH22      ARG  13  23.554  -4.733   1.506
   89    H    CGU  14           HN       GLA  14  17.969   1.896  -2.118
   90    HA   CGU  14           HA       GLA  14  18.308   0.802  -4.634
   91    HB2  CGU  14           HB2      GLA  14  16.718   3.077  -4.960
   92    HB3  CGU  14           HB3      GLA  14  16.517   2.633  -3.279
   93    HG   CGU  14           HG       GLA  14  15.991   0.329  -3.948
   94    H    LEU  15           HN       LEU  15  19.118   4.101  -3.544
   95    HA   LEU  15           HA       LEU  15  19.810   5.280  -5.982
   96    HB2  LEU  15           HB2      LEU  15  21.360   6.688  -4.719
   97    HB3  LEU  15           HB1      LEU  15  19.906   6.419  -3.761
   98    HG   LEU  15           HG       LEU  15  21.228   4.379  -2.785
   99   HD11  LEU  15          HD11      LEU  15  23.363   4.144  -3.457
  100   HD12  LEU  15          HD12      LEU  15  23.727   5.769  -2.875
  101   HD13  LEU  15          HD13      LEU  15  23.182   5.528  -4.533
  102   HD21  LEU  15          HD21      LEU  15  21.837   7.279  -2.142
  103   HD22  LEU  15          HD22      LEU  15  22.279   5.931  -1.094
  104   HD23  LEU  15          HD23      LEU  15  20.580   6.273  -1.424
  105    H    ALA  16           HN       ALA  16  21.550   2.869  -4.104
  106    HA   ALA  16           HA       ALA  16  24.086   2.910  -5.262
  107    HB1  ALA  16           HB1      ALA  16  22.953   1.268  -3.518
  108    HB2  ALA  16           HB2      ALA  16  24.336   0.736  -4.474
  109    HB3  ALA  16           HB3      ALA  16  22.703   0.268  -4.950
  110    H    ASN  17           HN       ASN  17  21.064   1.687  -6.643
  111    HA   ASN  17           HA       ASN  17  22.250   0.415  -8.931
  112    HB2  ASN  17           HB2      ASN  17  19.907   0.013  -8.200
  113    HB3  ASN  17           HB1      ASN  17  19.495   1.661  -8.677
  114   HD21  ASN  17          HD21      ASN  17  18.659   1.812 -10.760
  115   HD22  ASN  17          HD22      ASN  17  18.995   0.727 -12.031
  116    HN1  NH2  18           H1       NH2  18  20.764   3.687  -8.575
  117    HN2  NH2  18           H2       NH2  18  21.560   4.356  -9.917
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  -0.392  -3.176   4.705
    2    H2   GLY   1           HT2      GLY   1   0.641  -2.471   5.854
    3    H3   GLY   1           HT3      GLY   1   0.440  -4.157   5.808
    4    HA2  GLY   1           HA1      GLY   1   1.714  -4.423   3.931
    5    HA3  GLY   1           HA2      GLY   1   1.461  -2.749   3.437
    6    H    GLU   2           HN       GLU   2   2.713  -4.403   6.369
    7    HA   GLU   2           HA       GLU   2   4.474  -2.305   7.124
    8    HB2  GLU   2           HB2      GLU   2   4.849  -5.280   7.585
    9    HB3  GLU   2           HB1      GLU   2   5.605  -3.980   8.505
   10    HG2  GLU   2           HG2      GLU   2   3.369  -3.187   9.212
   11    HG3  GLU   2           HG1      GLU   2   2.625  -4.516   8.318
   12    H    CGU   3           HN       GLA   3   4.639  -4.512   4.514
   13    HA   CGU   3           HA       GLA   3   7.443  -4.828   4.187
   14    HB2  CGU   3           HB2      GLA   3   5.303  -4.542   2.053
   15    HB3  CGU   3           HB3      GLA   3   5.790  -6.054   2.829
   16    HG   CGU   3           HG       GLA   3   7.666  -4.260   1.254
   17    H    CGU   4           HN       GLA   4   5.273  -2.325   2.842
   18    HA   CGU   4           HA       GLA   4   7.241  -0.800   1.514
   19    HB2  CGU   4           HB2      GLA   4   4.790   0.249   2.963
   20    HB3  CGU   4           HB3      GLA   4   4.790  -0.406   1.325
   21    HG   CGU   4           HG       GLA   4   6.438   1.975   2.240
   22    H    LEU   5           HN       LEU   5   6.249  -0.755   4.926
   23    HA   LEU   5           HA       LEU   5   7.724   1.536   5.726
   24    HB2  LEU   5           HB2      LEU   5   6.072  -0.172   7.013
   25    HB3  LEU   5           HB1      LEU   5   7.629  -0.763   7.605
   26    HG   LEU   5           HG       LEU   5   6.669   2.112   7.720
   27   HD11  LEU   5          HD11      LEU   5   5.951   0.002   9.351
   28   HD12  LEU   5          HD12      LEU   5   5.932   1.702   9.824
   29   HD13  LEU   5          HD13      LEU   5   7.328   0.695  10.207
   30   HD21  LEU   5          HD21      LEU   5   9.015   2.234   7.539
   31   HD22  LEU   5          HD22      LEU   5   9.254   0.739   8.444
   32   HD23  LEU   5          HD23      LEU   5   8.754   2.206   9.283
   33    H    ALA   6           HN       ALA   6   8.758  -1.711   4.956
   34    HA   ALA   6           HA       ALA   6  11.379  -1.373   6.229
   35    HB1  ALA   6           HB1      ALA   6  11.520  -3.491   4.371
   36    HB2  ALA   6           HB2      ALA   6   9.875  -3.539   5.007
   37    HB3  ALA   6           HB3      ALA   6  11.250  -3.626   6.109
   38    H    CGU   7           HN       GLA   7  10.132  -1.484   2.857
   39    HA   CGU   7           HA       GLA   7  12.514  -1.122   1.448
   40    HB2  CGU   7           HB2      GLA   7  11.176   0.136  -0.227
   41    HB3  CGU   7           HB3      GLA   7   9.872   0.297   0.950
   42    HG   CGU   7           HG       GLA   7   9.698  -2.178   1.069
   43    H    ASN   8           HN       ASN   8  10.806   1.046   3.519
   44    HA   ASN   8           HA       ASN   8  11.695   3.586   2.980
   45    HB2  ASN   8           HB2      ASN   8  10.414   2.460   5.045
   46    HB3  ASN   8           HB1      ASN   8  12.007   2.589   5.782
   47   HD21  ASN   8          HD21      ASN   8  11.367   4.286   7.250
   48   HD22  ASN   8          HD22      ASN   8  11.031   5.868   6.704
   49    H    GLN   9           HN       GLN   9  13.488   1.228   5.000
   50    HA   GLN   9           HA       GLN   9  15.870   2.862   5.068
   51    HB2  GLN   9           HB2      GLN   9  16.895   1.061   6.235
   52    HB3  GLN   9           HB1      GLN   9  15.203   1.020   6.728
   53    HG2  GLN   9           HG2      GLN   9  14.765  -0.715   5.004
   54    HG3  GLN   9           HG1      GLN   9  16.478  -0.707   4.587
   55   HE21  GLN   9          HE21      GLN   9  14.226  -2.318   6.486
   56   HE22  GLN   9          HE22      GLN   9  15.285  -2.973   7.654
   57    H    CGU  10           HN       GLA  10  14.714   0.278   2.968
   58    HA   CGU  10           HA       GLA  10  17.198  -0.219   1.635
   59    HB2  CGU  10           HB2      GLA  10  14.382  -0.450   0.544
   60    HB3  CGU  10           HB3      GLA  10  15.234  -1.714   1.425
   61    HG   CGU  10           HG       GLA  10  17.031  -1.604  -0.364
   62    H    PHE  11           HN       PHE  11  14.852   2.301   1.372
   63    HA   PHE  11           HA       PHE  11  15.190   3.375  -1.142
   64    HB2  PHE  11           HB2      PHE  11  13.948   4.294   0.928
   65    HB3  PHE  11           HB1      PHE  11  15.467   5.101   1.307
   66    HD1  PHE  11           HD1      PHE  11  16.536   6.577  -0.523
   67    HD2  PHE  11           HD2      PHE  11  12.464   5.217  -0.660
   68    HE1  PHE  11           HE1      PHE  11  15.996   8.357  -2.166
   69    HE2  PHE  11           HE2      PHE  11  11.924   6.997  -2.300
   70    HZ   PHE  11           HZ       PHE  11  13.689   8.566  -3.053
   71    H    ALA  12           HN       ALA  12  17.464   3.651   1.585
   72    HA   ALA  12           HA       ALA  12  19.359   5.340   0.292
   73    HB1  ALA  12           HB1      ALA  12  20.156   3.175   2.233
   74    HB2  ALA  12           HB2      ALA  12  19.230   4.575   2.774
   75    HB3  ALA  12           HB3      ALA  12  20.825   4.797   2.055
   76    H    ARG  13           HN       ARG  13  18.766   1.886   0.062
   77    HA   ARG  13           HA       ARG  13  21.273   1.417  -1.407
   78    HB2  ARG  13           HB2      ARG  13  18.900  -0.399  -0.872
   79    HB3  ARG  13           HB1      ARG  13  20.416  -0.904  -1.619
   80    HG2  ARG  13           HG2      ARG  13  20.259   0.375   1.122
   81    HG3  ARG  13           HG1      ARG  13  20.263  -1.370   0.864
   82    HD2  ARG  13           HD2      ARG  13  22.413  -0.970  -0.513
   83    HD3  ARG  13           HD1      ARG  13  22.452   0.619   0.257
   84    HE   ARG  13           HE       ARG  13  23.198  -0.450   2.212
   85   HH11  ARG  13          HH11      ARG  13  21.785  -2.680   0.006
   86   HH12  ARG  13          HH12      ARG  13  21.957  -4.043   1.061
   87   HH21  ARG  13          HH21      ARG  13  23.313  -2.191   3.662
   88   HH22  ARG  13          HH22      ARG  13  22.822  -3.766   3.133
   89    H    CGU  14           HN       GLA  14  17.933   2.154  -2.126
   90    HA   CGU  14           HA       GLA  14  17.652   1.140  -4.707
   91    HB2  CGU  14           HB2      GLA  14  16.494   3.658  -4.733
   92    HB3  CGU  14           HB3      GLA  14  16.506   3.233  -3.036
   93    HG   CGU  14           HG       GLA  14  15.486   1.037  -3.635
   94    H    LEU  15           HN       LEU  15  19.264   4.111  -3.602
   95    HA   LEU  15           HA       LEU  15  19.843   5.342  -6.045
   96    HB2  LEU  15           HB2      LEU  15  21.855   6.255  -4.949
   97    HB3  LEU  15           HB1      LEU  15  20.489   6.270  -3.835
   98    HG   LEU  15           HG       LEU  15  21.377   3.900  -3.133
   99   HD11  LEU  15          HD11      LEU  15  24.110   4.713  -3.437
  100   HD12  LEU  15          HD12      LEU  15  23.355   4.694  -5.030
  101   HD13  LEU  15          HD13      LEU  15  23.332   3.246  -4.026
  102   HD21  LEU  15          HD21      LEU  15  22.839   4.989  -1.441
  103   HD22  LEU  15          HD22      LEU  15  21.315   5.852  -1.648
  104   HD23  LEU  15          HD23      LEU  15  22.790   6.480  -2.382
  105    H    ALA  16           HN       ALA  16  21.303   2.488  -4.588
  106    HA   ALA  16           HA       ALA  16  23.606   2.120  -6.093
  107    HB1  ALA  16           HB1      ALA  16  23.426  -0.185  -5.626
  108    HB2  ALA  16           HB2      ALA  16  21.665  -0.155  -5.710
  109    HB3  ALA  16           HB3      ALA  16  22.495   0.565  -4.330
  110    H    ASN  17           HN       ASN  17  20.339   2.173  -7.238
  111    HA   ASN  17           HA       ASN  17  21.021   0.814  -9.767
  112    HB2  ASN  17           HB2      ASN  17  18.764   0.591  -8.618
  113    HB3  ASN  17           HB1      ASN  17  18.456   2.268  -9.074
  114   HD21  ASN  17          HD21      ASN  17  17.264   2.392 -10.975
  115   HD22  ASN  17          HD22      ASN  17  17.391   1.303 -12.283
  116    HN1  NH2  18           H1       NH2  18  22.105   2.031 -11.313
  117    HN2  NH2  18           H2       NH2  18  21.843   3.679 -11.622
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1   1.455  -3.426   7.686
    2    H2   GLY   1           HT2      GLY   1   0.854  -4.504   6.519
    3    H3   GLY   1           HT3      GLY   1   0.013  -3.070   6.867
    4    HA2  GLY   1           HA1      GLY   1   1.677  -3.351   4.799
    5    HA3  GLY   1           HA2      GLY   1   1.314  -1.807   5.570
    6    H    GLU   2           HN       GLU   2   3.294  -4.594   6.622
    7    HA   GLU   2           HA       GLU   2   5.365  -2.798   7.615
    8    HB2  GLU   2           HB2      GLU   2   5.161  -5.808   7.379
    9    HB3  GLU   2           HB1      GLU   2   6.594  -4.998   8.012
   10    HG2  GLU   2           HG2      GLU   2   5.232  -5.557   9.908
   11    HG3  GLU   2           HG1      GLU   2   5.068  -3.818   9.663
   12    H    CGU   3           HN       GLA   3   4.663  -4.313   4.614
   13    HA   CGU   3           HA       GLA   3   7.347  -4.585   3.608
   14    HB2  CGU   3           HB2      GLA   3   4.758  -4.115   2.093
   15    HB3  CGU   3           HB3      GLA   3   5.405  -5.695   2.548
   16    HG   CGU   3           HG       GLA   3   6.825  -3.672   0.783
   17    H    CGU   4           HN       GLA   4   4.959  -1.953   3.507
   18    HA   CGU   4           HA       GLA   4   6.529  -0.219   1.833
   19    HB2  CGU   4           HB2      GLA   4   4.530   0.679   3.919
   20    HB3  CGU   4           HB3      GLA   4   4.035  -0.018   2.376
   21    HG   CGU   4           HG       GLA   4   5.357   1.742   1.200
   22    H    LEU   5           HN       LEU   5   6.106  -0.383   5.383
   23    HA   LEU   5           HA       LEU   5   7.867   1.742   6.039
   24    HB2  LEU   5           HB2      LEU   5   6.296   0.103   7.498
   25    HB3  LEU   5           HB1      LEU   5   7.866  -0.649   7.807
   26    HG   LEU   5           HG       LEU   5   7.231   2.291   8.186
   27   HD11  LEU   5          HD11      LEU   5   6.312   0.395   9.806
   28   HD12  LEU   5          HD12      LEU   5   6.988   1.889  10.458
   29   HD13  LEU   5          HD13      LEU   5   7.969   0.425  10.408
   30   HD21  LEU   5          HD21      LEU   5   9.714   0.618   8.410
   31   HD22  LEU   5          HD22      LEU   5   9.507   1.994   9.495
   32   HD23  LEU   5          HD23      LEU   5   9.521   2.241   7.748
   33    H    ALA   6           HN       ALA   6   8.510  -1.520   4.975
   34    HA   ALA   6           HA       ALA   6  11.302  -1.470   5.861
   35    HB1  ALA   6           HB1      ALA   6  10.382  -3.646   5.772
   36    HB2  ALA   6           HB2      ALA   6  11.387  -3.560   4.325
   37    HB3  ALA   6           HB3      ALA   6   9.638  -3.366   4.198
   38    H    CGU   7           HN       GLA   7   9.569  -1.134   2.729
   39    HA   CGU   7           HA       GLA   7  11.732  -0.963   0.970
   40    HB2  CGU   7           HB2      GLA   7  10.311   0.894  -0.182
   41    HB3  CGU   7           HB3      GLA   7   9.135   0.573   1.093
   42    HG   CGU   7           HG       GLA   7   9.127  -1.829   0.446
   43    H    ASN   8           HN       ASN   8  10.703   1.237   3.434
   44    HA   ASN   8           HA       ASN   8  11.903   3.651   2.929
   45    HB2  ASN   8           HB2      ASN   8  10.804   2.494   5.100
   46    HB3  ASN   8           HB1      ASN   8  12.497   2.409   5.573
   47   HD21  ASN   8          HD21      ASN   8  10.301   4.149   6.667
   48   HD22  ASN   8          HD22      ASN   8  10.868   5.751   6.501
   49    H    GLN   9           HN       GLN   9  13.551   0.729   4.181
   50    HA   GLN   9           HA       GLN   9  16.169   2.027   4.073
   51    HB2  GLN   9           HB2      GLN   9  16.138   0.440   5.762
   52    HB3  GLN   9           HB1      GLN   9  15.114  -0.666   4.848
   53    HG2  GLN   9           HG2      GLN   9  17.492  -1.450   5.091
   54    HG3  GLN   9           HG1      GLN   9  16.960  -1.294   3.417
   55   HE21  GLN   9          HE21      GLN   9  18.731  -0.514   2.250
   56   HE22  GLN   9          HE22      GLN   9  19.714   0.792   2.737
   57    H    CGU  10           HN       GLA  10  14.624  -0.684   2.308
   58    HA   CGU  10           HA       GLA  10  16.698  -1.137   0.457
   59    HB2  CGU  10           HB2      GLA  10  13.733  -1.290  -0.125
   60    HB3  CGU  10           HB3      GLA  10  14.645  -2.545   0.704
   61    HG   CGU  10           HG       GLA  10  15.147  -1.535  -2.110
   62    H    PHE  11           HN       PHE  11  14.717   1.539   0.826
   63    HA   PHE  11           HA       PHE  11  14.870   2.466  -1.944
   64    HB2  PHE  11           HB2      PHE  11  12.966   2.967  -0.475
   65    HB3  PHE  11           HB1      PHE  11  14.040   3.849   0.606
   66    HD1  PHE  11           HD1      PHE  11  15.409   5.806  -0.424
   67    HD2  PHE  11           HD2      PHE  11  11.952   4.070  -2.289
   68    HE1  PHE  11           HE1      PHE  11  15.136   7.843  -1.813
   69    HE2  PHE  11           HE2      PHE  11  11.678   6.105  -3.678
   70    HZ   PHE  11           HZ       PHE  11  13.270   7.992  -3.440
   71    H    ALA  12           HN       ALA  12  16.657   2.941   1.050
   72    HA   ALA  12           HA       ALA  12  18.083   5.297   0.144
   73    HB1  ALA  12           HB1      ALA  12  17.774   4.047   2.569
   74    HB2  ALA  12           HB2      ALA  12  18.969   5.302   2.235
   75    HB3  ALA  12           HB3      ALA  12  19.426   3.600   2.144
   76    H    ARG  13           HN       ARG  13  18.934   1.827   0.333
   77    HA   ARG  13           HA       ARG  13  21.534   2.248  -0.894
   78    HB2  ARG  13           HB2      ARG  13  19.880  -0.264  -0.498
   79    HB3  ARG  13           HB1      ARG  13  21.544  -0.248  -1.082
   80    HG2  ARG  13           HG2      ARG  13  20.891   1.191   1.465
   81    HG3  ARG  13           HG1      ARG  13  21.046  -0.565   1.494
   82    HD2  ARG  13           HD2      ARG  13  23.279  -0.307   0.349
   83    HD3  ARG  13           HD1      ARG  13  23.128   1.438   0.584
   84    HE   ARG  13           HE       ARG  13  22.728   0.231   3.109
   85   HH11  ARG  13          HH21      ARG  13  24.884  -1.601   2.078
   86   HH12  ARG  13          HH22      ARG  13  26.321  -0.774   2.577
   87   HH21  ARG  13          HH11      ARG  13  24.704   2.237   3.162
   88   HH22  ARG  13          HH12      ARG  13  26.219   1.399   3.190
   89    H    CGU  14           HN       GLA  14  18.293   1.562  -2.079
   90    HA   CGU  14           HA       GLA  14  18.770   0.546  -4.609
   91    HB2  CGU  14           HB2      GLA  14  16.775   2.484  -4.882
   92    HB3  CGU  14           HB3      GLA  14  16.703   2.008  -3.199
   93    HG   CGU  14           HG       GLA  14  16.607  -0.353  -3.870
   94    H    LEU  15           HN       LEU  15  19.064   3.899  -3.477
   95    HA   LEU  15           HA       LEU  15  19.391   5.268  -5.885
   96    HB2  LEU  15           HB2      LEU  15  20.741   6.872  -4.663
   97    HB3  LEU  15           HB1      LEU  15  19.484   6.278  -3.581
   98    HG   LEU  15           HG       LEU  15  21.272   4.487  -2.903
   99   HD11  LEU  15          HD11      LEU  15  23.322   4.715  -3.801
  100   HD12  LEU  15          HD12      LEU  15  23.434   6.348  -3.146
  101   HD13  LEU  15          HD13      LEU  15  22.758   6.088  -4.752
  102   HD21  LEU  15          HD21      LEU  15  21.766   7.345  -2.039
  103   HD22  LEU  15          HD22      LEU  15  21.935   5.877  -1.076
  104   HD23  LEU  15          HD23      LEU  15  20.333   6.444  -1.545
  105    H    ALA  16           HN       ALA  16  21.654   3.105  -4.263
  106    HA   ALA  16           HA       ALA  16  24.043   3.626  -5.600
  107    HB1  ALA  16           HB1      ALA  16  22.969   0.830  -5.151
  108    HB2  ALA  16           HB2      ALA  16  23.599   1.834  -3.845
  109    HB3  ALA  16           HB3      ALA  16  24.656   1.344  -5.169
  110    H    ASN  17           HN       ASN  17  21.231   1.809  -6.797
  111    HA   ASN  17           HA       ASN  17  22.452   0.981  -9.266
  112    HB2  ASN  17           HB2      ASN  17  20.429  -0.108  -8.437
  113    HB3  ASN  17           HB1      ASN  17  19.537   1.408  -8.550
  114   HD21  ASN  17          HD21      ASN  17  18.265   1.485 -10.395
  115   HD22  ASN  17          HD22      ASN  17  18.665   0.777 -11.894
  116    HN1  NH2  18           H1       NH2  18  21.524   4.087  -8.198
  117    HN2  NH2  18           H2       NH2  18  21.431   4.842  -9.715
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1   1.551  -4.709   3.518
    2    H2   GLY   1           HT2      GLY   1   0.520  -4.600   4.863
    3    H3   GLY   1           HT3      GLY   1   2.109  -5.171   5.050
    4    HA2  GLY   1           HA1      GLY   1   2.004  -2.569   3.848
    5    HA3  GLY   1           HA2      GLY   1   1.296  -2.618   5.463
    6    H    GLU   2           HN       GLU   2   3.262  -5.106   5.720
    7    HA   GLU   2           HA       GLU   2   5.313  -3.615   7.134
    8    HB2  GLU   2           HB2      GLU   2   5.050  -6.551   6.425
    9    HB3  GLU   2           HB1      GLU   2   6.355  -5.898   7.416
   10    HG2  GLU   2           HG2      GLU   2   3.414  -5.538   8.055
   11    HG3  GLU   2           HG1      GLU   2   4.423  -6.805   8.753
   12    H    CGU   3           HN       GLA   3   4.869  -4.458   3.881
   13    HA   CGU   3           HA       GLA   3   7.684  -4.790   3.184
   14    HB2  CGU   3           HB2      GLA   3   5.263  -4.178   1.453
   15    HB3  CGU   3           HB3      GLA   3   5.922  -5.785   1.783
   16    HG   CGU   3           HG       GLA   3   7.442  -3.532   0.425
   17    H    CGU   4           HN       GLA   4   5.282  -2.207   2.553
   18    HA   CGU   4           HA       GLA   4   7.180  -0.320   1.559
   19    HB2  CGU   4           HB2      GLA   4   4.612   0.330   3.031
   20    HB3  CGU   4           HB3      GLA   4   4.662  -0.174   1.340
   21    HG   CGU   4           HG       GLA   4   6.095   2.239   2.503
   22    H    LEU   5           HN       LEU   5   6.369  -1.321   4.795
   23    HA   LEU   5           HA       LEU   5   7.336   1.001   6.186
   24    HB2  LEU   5           HB2      LEU   5   6.047  -1.275   6.947
   25    HB3  LEU   5           HB1      LEU   5   7.692  -1.638   7.485
   26    HG   LEU   5           HG       LEU   5   6.196   0.915   8.142
   27   HD11  LEU   5          HD11      LEU   5   6.147  -0.087  10.461
   28   HD12  LEU   5          HD12      LEU   5   6.676  -1.610   9.747
   29   HD13  LEU   5          HD13      LEU   5   5.120  -0.916   9.291
   30   HD21  LEU   5          HD21      LEU   5   8.170   0.706   9.972
   31   HD22  LEU   5          HD22      LEU   5   8.391   1.536   8.431
   32   HD23  LEU   5          HD23      LEU   5   8.944  -0.128   8.623
   33    H    ALA   6           HN       ALA   6   8.890  -1.959   5.008
   34    HA   ALA   6           HA       ALA   6  11.469  -1.250   6.206
   35    HB1  ALA   6           HB1      ALA   6  11.770  -3.459   5.874
   36    HB2  ALA   6           HB2      ALA   6  11.843  -3.158   4.139
   37    HB3  ALA   6           HB3      ALA   6  10.303  -3.551   4.901
   38    H    CGU   7           HN       GLA   7   9.970  -1.108   2.958
   39    HA   CGU   7           HA       GLA   7  12.153  -0.375   1.383
   40    HB2  CGU   7           HB2      GLA   7  10.509   1.124   0.137
   41    HB3  CGU   7           HB3      GLA   7   9.326   0.719   1.383
   42    HG   CGU   7           HG       GLA   7   9.646  -1.698   0.851
   43    H    ASN   8           HN       ASN   8  10.506   1.410   3.848
   44    HA   ASN   8           HA       ASN   8  11.183   4.047   3.551
   45    HB2  ASN   8           HB2      ASN   8  10.189   2.598   5.567
   46    HB3  ASN   8           HB1      ASN   8  11.837   2.758   6.169
   47   HD21  ASN   8          HD21      ASN   8  11.440   4.270   7.838
   48   HD22  ASN   8          HD22      ASN   8  10.868   5.853   7.549
   49    H    GLN   9           HN       GLN   9  13.347   1.524   4.898
   50    HA   GLN   9           HA       GLN   9  15.608   3.412   4.857
   51    HB2  GLN   9           HB2      GLN   9  16.889   1.591   5.857
   52    HB3  GLN   9           HB1      GLN   9  15.346   1.743   6.696
   53    HG2  GLN   9           HG2      GLN   9  14.417  -0.118   5.454
   54    HG3  GLN   9           HG1      GLN   9  15.854  -0.211   4.435
   55   HE21  GLN   9          HE21      GLN   9  17.367  -1.732   5.105
   56   HE22  GLN   9          HE22      GLN   9  17.523  -2.319   6.699
   57    H    CGU  10           HN       GLA  10  14.431   0.649   3.003
   58    HA   CGU  10           HA       GLA  10  16.667  -0.035   1.507
   59    HB2  CGU  10           HB2      GLA  10  13.912   0.378   0.325
   60    HB3  CGU  10           HB3      GLA  10  14.366  -1.039   1.272
   61    HG   CGU  10           HG       GLA  10  16.229  -1.446  -0.374
   62    H    PHE  11           HN       PHE  11  14.791   2.873   1.357
   63    HA   PHE  11           HA       PHE  11  15.399   4.014  -1.075
   64    HB2  PHE  11           HB2      PHE  11  14.221   5.010   0.974
   65    HB3  PHE  11           HB1      PHE  11  15.827   5.495   1.514
   66    HD1  PHE  11           HD1      PHE  11  13.638   5.636  -1.534
   67    HD2  PHE  11           HD2      PHE  11  16.685   7.554   0.810
   68    HE1  PHE  11           HE1      PHE  11  13.555   7.606  -3.038
   69    HE2  PHE  11           HE2      PHE  11  16.601   9.524  -0.693
   70    HZ   PHE  11           HZ       PHE  11  15.037   9.551  -2.617
   71    H    ALA  12           HN       ALA  12  17.629   3.267   1.522
   72    HA   ALA  12           HA       ALA  12  19.798   4.918   0.531
   73    HB1  ALA  12           HB1      ALA  12  21.058   3.022   2.010
   74    HB2  ALA  12           HB2      ALA  12  19.422   2.880   2.650
   75    HB3  ALA  12           HB3      ALA  12  20.262   4.429   2.714
   76    H    ARG  13           HN       ARG  13  18.741   1.592  -0.019
   77    HA   ARG  13           HA       ARG  13  21.170   0.978  -1.564
   78    HB2  ARG  13           HB2      ARG  13  18.702  -0.548  -0.775
   79    HB3  ARG  13           HB1      ARG  13  19.725  -1.154  -2.078
   80    HG2  ARG  13           HG2      ARG  13  20.972  -0.321   0.529
   81    HG3  ARG  13           HG1      ARG  13  20.210  -1.906   0.390
   82    HD2  ARG  13           HD2      ARG  13  22.464  -2.307  -0.202
   83    HD3  ARG  13           HD1      ARG  13  21.631  -2.186  -1.755
   84    HE   ARG  13           HE       ARG  13  22.960  -0.301  -2.201
   85   HH11  ARG  13          HH21      ARG  13  23.458  -1.289   1.003
   86   HH12  ARG  13          HH22      ARG  13  24.142   0.212   1.530
   87   HH21  ARG  13          HH11      ARG  13  23.498   1.860  -1.453
   88   HH22  ARG  13          HH12      ARG  13  24.167   1.994   0.140
   89    H    CGU  14           HN       GLA  14  17.859   2.005  -2.179
   90    HA   CGU  14           HA       GLA  14  17.474   1.295  -4.816
   91    HB2  CGU  14           HB2      GLA  14  16.670   3.963  -4.595
   92    HB3  CGU  14           HB3      GLA  14  16.570   3.333  -2.965
   93    HG   CGU  14           HG       GLA  14  15.256   1.422  -3.796
   94    H    LEU  15           HN       LEU  15  19.477   3.939  -3.534
   95    HA   LEU  15           HA       LEU  15  20.164   5.205  -5.956
   96    HB2  LEU  15           HB2      LEU  15  22.195   5.951  -4.814
   97    HB3  LEU  15           HB1      LEU  15  20.842   5.997  -3.685
   98    HG   LEU  15           HG       LEU  15  21.626   3.516  -3.155
   99   HD11  LEU  15          HD11      LEU  15  23.672   2.915  -3.895
  100   HD12  LEU  15          HD12      LEU  15  24.375   4.454  -3.403
  101   HD13  LEU  15          HD13      LEU  15  23.600   4.304  -4.979
  102   HD21  LEU  15          HD21      LEU  15  23.001   4.430  -1.321
  103   HD22  LEU  15          HD22      LEU  15  21.545   5.397  -1.550
  104   HD23  LEU  15          HD23      LEU  15  23.094   5.980  -2.157
  105    H    ALA  16           HN       ALA  16  21.279   2.176  -4.565
  106    HA   ALA  16           HA       ALA  16  23.586   1.601  -5.986
  107    HB1  ALA  16           HB1      ALA  16  23.034  -0.717  -5.770
  108    HB2  ALA  16           HB2      ALA  16  21.305  -0.375  -5.764
  109    HB3  ALA  16           HB3      ALA  16  22.298   0.080  -4.380
  110    H    ASN  17           HN       ASN  17  20.240   1.401  -7.179
  111    HA   ASN  17           HA       ASN  17  20.893   0.394  -9.779
  112    HB2  ASN  17           HB2      ASN  17  18.603   0.332  -8.912
  113    HB3  ASN  17           HB1      ASN  17  18.551   2.094  -8.869
  114   HD21  ASN  17          HD21      ASN  17  17.431   2.915 -10.628
  115   HD22  ASN  17          HD22      ASN  17  17.438   2.245 -12.198
  116    HN1  NH2  18           H1       NH2  18  22.910   2.100  -9.724
  117    HN2  NH2  18           H2       NH2  18  22.621   3.525 -10.599
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1   1.499   0.163   8.216
    2    H2   GLY   1           HT2      GLY   1   2.545  -1.083   8.707
    3    H3   GLY   1           HT3      GLY   1   1.157  -1.444   7.796
    4    HA2  GLY   1           HA1      GLY   1   2.126  -0.961   5.857
    5    HA3  GLY   1           HA2      GLY   1   2.923   0.457   6.537
    6    H    GLU   2           HN       GLU   2   3.078  -2.942   7.600
    7    HA   GLU   2           HA       GLU   2   5.773  -3.008   8.265
    8    HB2  GLU   2           HB2      GLU   2   4.087  -5.194   7.015
    9    HB3  GLU   2           HB1      GLU   2   5.684  -5.467   7.713
   10    HG2  GLU   2           HG2      GLU   2   4.826  -4.439   9.857
   11    HG3  GLU   2           HG1      GLU   2   3.214  -4.449   9.142
   12    H    CGU   3           HN       GLA   3   4.503  -4.096   5.079
   13    HA   CGU   3           HA       GLA   3   6.951  -4.454   3.784
   14    HB2  CGU   3           HB2      GLA   3   4.390  -3.283   2.653
   15    HB3  CGU   3           HB3      GLA   3   4.862  -4.987   2.657
   16    HG   CGU   3           HG       GLA   3   6.315  -2.736   1.222
   17    H    CGU   4           HN       GLA   4   5.054  -1.413   3.856
   18    HA   CGU   4           HA       GLA   4   7.008   0.199   2.572
   19    HB2  CGU   4           HB2      GLA   4   5.048   1.039   4.731
   20    HB3  CGU   4           HB3      GLA   4   4.665   0.920   3.014
   21    HG   CGU   4           HG       GLA   4   6.821   2.699   4.202
   22    H    LEU   5           HN       LEU   5   6.707  -0.871   5.915
   23    HA   LEU   5           HA       LEU   5   8.560   0.921   7.114
   24    HB2  LEU   5           HB2      LEU   5   7.018  -1.097   8.053
   25    HB3  LEU   5           HB1      LEU   5   8.590  -1.905   8.027
   26    HG   LEU   5           HG       LEU   5   7.986   0.743   9.373
   27   HD11  LEU   5          HD11      LEU   5   7.173  -0.674  10.962
   28   HD12  LEU   5          HD12      LEU   5   8.878  -0.967  11.306
   29   HD13  LEU   5          HD13      LEU   5   7.985  -2.076  10.264
   30   HD21  LEU   5          HD21      LEU   5  10.247   0.861   8.709
   31   HD22  LEU   5          HD22      LEU   5  10.504  -0.865   8.959
   32   HD23  LEU   5          HD23      LEU   5  10.342   0.213  10.346
   33    H    ALA   6           HN       ALA   6   9.014  -2.046   5.258
   34    HA   ALA   6           HA       ALA   6  11.912  -2.061   5.752
   35    HB1  ALA   6           HB1      ALA   6  10.506  -3.662   3.612
   36    HB2  ALA   6           HB2      ALA   6  10.366  -4.115   5.310
   37    HB3  ALA   6           HB3      ALA   6  11.949  -4.083   4.534
   38    H    CGU   7           HN       GLA   7   9.706  -1.316   3.015
   39    HA   CGU   7           HA       GLA   7  11.551  -0.814   0.985
   40    HB2  CGU   7           HB2      GLA   7   9.978   0.954   0.178
   41    HB3  CGU   7           HB3      GLA   7   9.124   0.860   1.718
   42    HG   CGU   7           HG       GLA   7   8.588  -1.498   1.301
   43    H    ASN   8           HN       ASN   8  10.930   0.954   3.886
   44    HA   ASN   8           HA       ASN   8  12.004   3.456   3.576
   45    HB2  ASN   8           HB2      ASN   8  11.277   1.997   5.698
   46    HB3  ASN   8           HB1      ASN   8  13.020   1.809   5.856
   47   HD21  ASN   8          HD21      ASN   8  13.293   3.181   7.685
   48   HD22  ASN   8          HD22      ASN   8  13.006   4.864   7.630
   49    H    GLN   9           HN       GLN   9  13.906   0.464   4.135
   50    HA   GLN   9           HA       GLN   9  16.413   1.925   3.700
   51    HB2  GLN   9           HB2      GLN   9  17.520  -0.141   4.199
   52    HB3  GLN   9           HB1      GLN   9  16.152  -0.028   5.305
   53    HG2  GLN   9           HG2      GLN   9  14.820  -1.466   3.797
   54    HG3  GLN   9           HG1      GLN   9  16.201  -1.594   2.708
   55   HE21  GLN   9          HE21      GLN   9  17.586  -1.437   5.700
   56   HE22  GLN   9          HE22      GLN   9  17.670  -3.099   6.074
   57    H    CGU  10           HN       GLA  10  14.329  -0.270   1.873
   58    HA   CGU  10           HA       GLA  10  16.136  -0.787  -0.268
   59    HB2  CGU  10           HB2      GLA  10  13.136  -0.530  -0.491
   60    HB3  CGU  10           HB3      GLA  10  13.944  -1.972   0.120
   61    HG   CGU  10           HG       GLA  10  14.361  -0.749  -2.623
   62    H    PHE  11           HN       PHE  11  14.357   1.981   0.608
   63    HA   PHE  11           HA       PHE  11  14.483   3.225  -2.038
   64    HB2  PHE  11           HB2      PHE  11  12.620   3.671  -0.577
   65    HB3  PHE  11           HB1      PHE  11  13.701   4.210   0.702
   66    HD1  PHE  11           HD1      PHE  11  13.344   4.916  -2.976
   67    HD2  PHE  11           HD2      PHE  11  13.711   6.521   0.992
   68    HE1  PHE  11           HE1      PHE  11  13.306   7.218  -3.902
   69    HE2  PHE  11           HE2      PHE  11  13.674   8.821   0.066
   70    HZ   PHE  11           HZ       PHE  11  13.471   9.169  -2.380
   71    H    ALA  12           HN       ALA  12  16.292   3.341   0.992
   72    HA   ALA  12           HA       ALA  12  17.870   5.655   0.174
   73    HB1  ALA  12           HB1      ALA  12  17.726   5.441   2.507
   74    HB2  ALA  12           HB2      ALA  12  19.330   4.790   2.164
   75    HB3  ALA  12           HB3      ALA  12  17.977   3.696   2.456
   76    H    ARG  13           HN       ARG  13  18.249   2.138   0.093
   77    HA   ARG  13           HA       ARG  13  21.008   2.366  -0.906
   78    HB2  ARG  13           HB2      ARG  13  20.247   0.497   0.606
   79    HB3  ARG  13           HB1      ARG  13  19.271  -0.109  -0.734
   80    HG2  ARG  13           HG2      ARG  13  21.355  -0.188  -2.134
   81    HG3  ARG  13           HG1      ARG  13  22.281   0.235  -0.693
   82    HD2  ARG  13           HD2      ARG  13  21.444  -1.778   0.449
   83    HD3  ARG  13           HD1      ARG  13  20.501  -2.204  -0.984
   84    HE   ARG  13           HE       ARG  13  23.236  -1.869  -1.742
   85   HH11  ARG  13          HH11      ARG  13  20.886  -4.035  -0.519
   86   HH12  ARG  13          HH12      ARG  13  21.945  -5.406  -0.511
   87   HH21  ARG  13          HH21      ARG  13  24.734  -3.592  -1.488
   88   HH22  ARG  13          HH22      ARG  13  24.122  -5.155  -1.063
   89    H    CGU  14           HN       GLA  14  17.796   2.081  -2.248
   90    HA   CGU  14           HA       GLA  14  18.175   0.838  -4.670
   91    HB2  CGU  14           HB2      GLA  14  16.676   3.142  -5.200
   92    HB3  CGU  14           HB3      GLA  14  16.400   2.803  -3.505
   93    HG   CGU  14           HG       GLA  14  15.878   0.449  -4.097
   94    H    LEU  15           HN       LEU  15  18.970   4.222  -3.855
   95    HA   LEU  15           HA       LEU  15  19.827   5.144  -6.347
   96    HB2  LEU  15           HB2      LEU  15  21.756   6.190  -4.700
   97    HB3  LEU  15           HB1      LEU  15  20.129   6.851  -4.867
   98    HG   LEU  15           HG       LEU  15  20.694   4.636  -2.899
   99   HD11  LEU  15          HD11      LEU  15  21.410   7.527  -2.728
  100   HD12  LEU  15          HD12      LEU  15  22.173   6.134  -1.963
  101   HD13  LEU  15          HD13      LEU  15  20.679   6.794  -1.299
  102   HD21  LEU  15          HD21      LEU  15  18.405   6.048  -3.754
  103   HD22  LEU  15          HD22      LEU  15  18.787   6.694  -2.157
  104   HD23  LEU  15          HD23      LEU  15  18.524   4.964  -2.368
  105    H    ALA  16           HN       ALA  16  21.437   2.908  -4.156
  106    HA   ALA  16           HA       ALA  16  24.043   2.839  -5.092
  107    HB1  ALA  16           HB1      ALA  16  24.040   0.419  -4.577
  108    HB2  ALA  16           HB2      ALA  16  22.278   0.433  -4.534
  109    HB3  ALA  16           HB3      ALA  16  23.197   1.335  -3.329
  110    H    ASN  17           HN       ASN  17  21.148   1.761  -6.772
  111    HA   ASN  17           HA       ASN  17  22.738   1.541  -9.254
  112    HB2  ASN  17           HB2      ASN  17  21.067  -0.730  -8.136
  113    HB3  ASN  17           HB1      ASN  17  21.693  -0.678  -9.785
  114   HD21  ASN  17          HD21      ASN  17  22.402  -1.895  -6.751
  115   HD22  ASN  17          HD22      ASN  17  24.097  -2.026  -6.902
  116    HN1  NH2  18           H1       NH2  18  19.516   1.466  -7.699
  117    HN2  NH2  18           H2       NH2  18  18.683   2.129  -9.021
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1   1.198  -0.435   5.156
    2    H2   GLY   1           HT2      GLY   1   1.378  -1.297   6.608
    3    H3   GLY   1           HT3      GLY   1  -0.008  -1.520   5.651
    4    HA2  GLY   1           HA1      GLY   1   1.116  -3.342   4.969
    5    HA3  GLY   1           HA2      GLY   1   1.811  -2.163   3.859
    6    H    GLU   2           HN       GLU   2   2.505  -4.382   6.345
    7    HA   GLU   2           HA       GLU   2   4.873  -3.210   7.458
    8    HB2  GLU   2           HB2      GLU   2   5.445  -5.566   8.078
    9    HB3  GLU   2           HB1      GLU   2   3.798  -5.123   8.527
   10    HG2  GLU   2           HG2      GLU   2   3.002  -6.146   6.376
   11    HG3  GLU   2           HG1      GLU   2   4.647  -6.715   6.092
   12    H    CGU   3           HN       GLA   3   4.244  -4.079   4.314
   13    HA   CGU   3           HA       GLA   3   6.959  -5.084   3.713
   14    HB2  CGU   3           HB2      GLA   3   4.586  -4.488   1.917
   15    HB3  CGU   3           HB3      GLA   3   5.070  -6.080   2.510
   16    HG   CGU   3           HG       GLA   3   6.800  -4.282   0.779
   17    H    CGU   4           HN       GLA   4   5.023  -2.163   3.379
   18    HA   CGU   4           HA       GLA   4   7.026  -0.818   1.720
   19    HB2  CGU   4           HB2      GLA   4   4.644   0.330   3.208
   20    HB3  CGU   4           HB3      GLA   4   4.599  -0.287   1.556
   21    HG   CGU   4           HG       GLA   4   6.415   1.389   0.989
   22    H    LEU   5           HN       LEU   5   6.273  -1.089   5.137
   23    HA   LEU   5           HA       LEU   5   7.659   1.206   6.085
   24    HB2  LEU   5           HB2      LEU   5   6.228  -0.761   7.279
   25    HB3  LEU   5           HB1      LEU   5   7.866  -1.274   7.699
   26    HG   LEU   5           HG       LEU   5   6.797   1.528   8.136
   27   HD11  LEU   5          HD11      LEU   5   6.599  -0.943   9.732
   28   HD12  LEU   5          HD12      LEU   5   5.663   0.548   9.845
   29   HD13  LEU   5          HD13      LEU   5   7.245   0.439  10.617
   30   HD21  LEU   5          HD21      LEU   5   9.415   0.185   8.438
   31   HD22  LEU   5          HD22      LEU   5   8.915   1.152   9.826
   32   HD23  LEU   5          HD23      LEU   5   9.046   1.897   8.233
   33    H    ALA   6           HN       ALA   6   8.823  -1.928   4.993
   34    HA   ALA   6           HA       ALA   6  11.531  -1.444   6.024
   35    HB1  ALA   6           HB1      ALA   6  10.957  -3.523   3.943
   36    HB2  ALA   6           HB2      ALA   6  10.258  -3.735   5.547
   37    HB3  ALA   6           HB3      ALA   6  12.007  -3.612   5.357
   38    H    CGU   7           HN       GLA   7   9.869  -1.285   2.854
   39    HA   CGU   7           HA       GLA   7  12.058  -0.911   1.158
   40    HB2  CGU   7           HB2      GLA   7  10.611   0.579  -0.193
   41    HB3  CGU   7           HB3      GLA   7   9.494   0.724   1.166
   42    HG   CGU   7           HG       GLA   7   9.001  -1.654   1.078
   43    H    ASN   8           HN       ASN   8  10.700   1.202   3.562
   44    HA   ASN   8           HA       ASN   8  11.805   3.681   3.137
   45    HB2  ASN   8           HB2      ASN   8  10.582   2.471   5.219
   46    HB3  ASN   8           HB1      ASN   8  12.230   2.492   5.835
   47   HD21  ASN   8          HD21      ASN   8  12.021   4.153   7.378
   48   HD22  ASN   8          HD22      ASN   8  11.616   5.763   6.979
   49    H    GLN   9           HN       GLN   9  13.488   0.898   4.651
   50    HA   GLN   9           HA       GLN   9  16.018   2.250   4.878
   51    HB2  GLN   9           HB2      GLN   9  16.882   0.199   5.598
   52    HB3  GLN   9           HB1      GLN   9  15.174   0.033   6.006
   53    HG2  GLN   9           HG2      GLN   9  14.830  -1.089   3.772
   54    HG3  GLN   9           HG1      GLN   9  16.580  -1.072   3.557
   55   HE21  GLN   9          HE21      GLN   9  16.400  -1.395   6.781
   56   HE22  GLN   9          HE22      GLN   9  16.312  -3.093   6.928
   57    H    CGU  10           HN       GLA  10  14.713  -0.025   2.450
   58    HA   CGU  10           HA       GLA  10  16.965  -0.257   0.816
   59    HB2  CGU  10           HB2      GLA  10  14.043  -0.426   0.380
   60    HB3  CGU  10           HB3      GLA  10  15.307  -1.558  -0.081
   61    HG   CGU  10           HG       GLA  10  15.984   0.177  -1.862
   62    H    PHE  11           HN       PHE  11  14.628   2.304   0.979
   63    HA   PHE  11           HA       PHE  11  15.080   3.878  -1.191
   64    HB2  PHE  11           HB2      PHE  11  13.661   4.304   0.875
   65    HB3  PHE  11           HB1      PHE  11  15.105   5.019   1.588
   66    HD1  PHE  11           HD1      PHE  11  13.026   5.168  -1.528
   67    HD2  PHE  11           HD2      PHE  11  15.568   7.288   1.209
   68    HE1  PHE  11           HE1      PHE  11  12.589   7.277  -2.756
   69    HE2  PHE  11           HE2      PHE  11  15.130   9.399  -0.018
   70    HZ   PHE  11           HZ       PHE  11  13.640   9.393  -2.000
   71    H    ALA  12           HN       ALA  12  17.441   3.303   1.351
   72    HA   ALA  12           HA       ALA  12  19.106   5.576   0.572
   73    HB1  ALA  12           HB1      ALA  12  20.191   5.143   2.499
   74    HB2  ALA  12           HB2      ALA  12  20.466   3.459   2.055
   75    HB3  ALA  12           HB3      ALA  12  18.944   3.936   2.806
   76    H    ARG  13           HN       ARG  13  19.473   2.033   0.260
   77    HA   ARG  13           HA       ARG  13  21.820   2.324  -1.468
   78    HB2  ARG  13           HB2      ARG  13  20.141   0.047  -0.479
   79    HB3  ARG  13           HB1      ARG  13  21.353  -0.204  -1.733
   80    HG2  ARG  13           HG2      ARG  13  21.980   1.124   0.916
   81    HG3  ARG  13           HG1      ARG  13  22.167  -0.609   0.649
   82    HD2  ARG  13           HD2      ARG  13  23.548   0.160  -1.460
   83    HD3  ARG  13           HD1      ARG  13  23.705   1.670  -0.557
   84    HE   ARG  13           HE       ARG  13  24.361  -0.439   1.216
   85   HH11  ARG  13          HH21      ARG  13  25.561  -1.214  -1.557
   86   HH12  ARG  13          HH22      ARG  13  27.176  -0.624  -1.356
   87   HH21  ARG  13          HH11      ARG  13  26.413   1.290   1.433
   88   HH22  ARG  13          HH12      ARG  13  27.659   0.792   0.340
   89    H    CGU  14           HN       GLA  14  18.401   1.945  -1.898
   90    HA   CGU  14           HA       GLA  14  18.127   0.696  -4.337
   91    HB2  CGU  14           HB2      GLA  14  16.539   2.137  -2.681
   92    HB3  CGU  14           HB3      GLA  14  16.022   1.590  -4.271
   93    HG   CGU  14           HG       GLA  14  17.400   4.212  -3.759
   94    H    LEU  15           HN       LEU  15  19.064   4.033  -3.725
   95    HA   LEU  15           HA       LEU  15  19.252   4.974  -6.383
   96    HB2  LEU  15           HB2      LEU  15  20.830   6.628  -5.548
   97    HB3  LEU  15           HB1      LEU  15  19.595   6.363  -4.319
   98    HG   LEU  15           HG       LEU  15  21.241   4.561  -3.393
   99   HD11  LEU  15          HD11      LEU  15  23.574   6.042  -4.078
  100   HD12  LEU  15          HD12      LEU  15  22.756   5.640  -5.586
  101   HD13  LEU  15          HD13      LEU  15  23.210   4.360  -4.463
  102   HD21  LEU  15          HD21      LEU  15  22.277   6.239  -1.971
  103   HD22  LEU  15          HD22      LEU  15  20.623   6.743  -2.316
  104   HD23  LEU  15          HD23      LEU  15  21.969   7.498  -3.168
  105    H    ALA  16           HN       ALA  16  21.349   2.832  -4.581
  106    HA   ALA  16           HA       ALA  16  23.729   2.869  -6.005
  107    HB1  ALA  16           HB1      ALA  16  23.330   1.343  -4.121
  108    HB2  ALA  16           HB2      ALA  16  23.892   0.435  -5.524
  109    HB3  ALA  16           HB3      ALA  16  22.182   0.422  -5.092
  110    H    ASN  17           HN       ASN  17  20.659   1.371  -6.989
  111    HA   ASN  17           HA       ASN  17  21.711   0.197  -9.407
  112    HB2  ASN  17           HB2      ASN  17  19.613  -0.594  -8.410
  113    HB3  ASN  17           HB1      ASN  17  18.875   0.985  -8.675
  114   HD21  ASN  17          HD21      ASN  17  20.910   0.494 -11.273
  115   HD22  ASN  17          HD22      ASN  17  19.797  -0.196 -12.367
  116    HN1  NH2  18           H1       NH2  18  19.037   2.472  -9.777
  117    HN2  NH2  18           H2       NH2  18  19.836   3.522 -10.843
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1   0.453  -3.289   7.780
    2    H2   GLY   1           HT2      GLY   1   1.436  -4.669   7.919
    3    H3   GLY   1           HT3      GLY   1  -0.071  -4.770   7.141
    4    HA2  GLY   1           HA1      GLY   1   1.557  -4.741   5.442
    5    HA3  GLY   1           HA2      GLY   1   0.774  -3.161   5.453
    6    H    GLU   2           HN       GLU   2   3.494  -4.818   7.093
    7    HA   GLU   2           HA       GLU   2   4.898  -2.298   7.519
    8    HB2  GLU   2           HB2      GLU   2   5.803  -5.179   7.819
    9    HB3  GLU   2           HB1      GLU   2   6.746  -3.776   8.320
   10    HG2  GLU   2           HG2      GLU   2   5.624  -4.483  10.290
   11    HG3  GLU   2           HG1      GLU   2   4.690  -3.102   9.712
   12    H    CGU   3           HN       GLA   3   4.300  -3.850   4.747
   13    HA   CGU   3           HA       GLA   3   6.759  -4.315   3.460
   14    HB2  CGU   3           HB2      GLA   3   4.217  -3.116   2.317
   15    HB3  CGU   3           HB3      GLA   3   4.628  -4.833   2.385
   16    HG   CGU   3           HG       GLA   3   6.118  -2.688   0.836
   17    H    CGU   4           HN       GLA   4   4.906  -1.240   3.534
   18    HA   CGU   4           HA       GLA   4   6.868   0.315   2.180
   19    HB2  CGU   4           HB2      GLA   4   4.978   1.275   4.351
   20    HB3  CGU   4           HB3      GLA   4   4.512   1.046   2.665
   21    HG   CGU   4           HG       GLA   4   6.386   2.633   2.039
   22    H    LEU   5           HN       LEU   5   6.470  -0.474   5.617
   23    HA   LEU   5           HA       LEU   5   8.392   1.242   6.734
   24    HB2  LEU   5           HB2      LEU   5   6.824  -0.669   7.763
   25    HB3  LEU   5           HB1      LEU   5   8.333  -1.587   7.684
   26    HG   LEU   5           HG       LEU   5   7.999   1.119   9.005
   27   HD11  LEU   5          HD11      LEU   5   6.959  -0.344  10.491
   28   HD12  LEU   5          HD12      LEU   5   8.634  -0.435  11.039
   29   HD13  LEU   5          HD13      LEU   5   7.971  -1.708  10.013
   30   HD21  LEU   5          HD21      LEU   5  10.315   0.324   9.945
   31   HD22  LEU   5          HD22      LEU   5  10.245   1.024   8.328
   32   HD23  LEU   5          HD23      LEU   5  10.330  -0.725   8.527
   33    H    ALA   6           HN       ALA   6   8.855  -1.895   5.119
   34    HA   ALA   6           HA       ALA   6  11.743  -1.838   5.590
   35    HB1  ALA   6           HB1      ALA   6  10.608  -3.594   3.468
   36    HB2  ALA   6           HB2      ALA   6  10.014  -3.863   5.107
   37    HB3  ALA   6           HB3      ALA   6  11.740  -3.981   4.764
   38    H    CGU   7           HN       GLA   7   9.579  -1.299   2.770
   39    HA   CGU   7           HA       GLA   7  11.470  -0.915   0.752
   40    HB2  CGU   7           HB2      GLA   7   9.895   0.849  -0.153
   41    HB3  CGU   7           HB3      GLA   7   8.970   0.706   1.343
   42    HG   CGU   7           HG       GLA   7   8.692  -1.737   0.878
   43    H    ASN   8           HN       ASN   8  10.735   1.044   3.512
   44    HA   ASN   8           HA       ASN   8  11.829   3.524   3.064
   45    HB2  ASN   8           HB2      ASN   8  11.008   2.223   5.254
   46    HB3  ASN   8           HB1      ASN   8  12.741   2.035   5.492
   47   HD21  ASN   8          HD21      ASN   8  13.178   3.545   7.106
   48   HD22  ASN   8          HD22      ASN   8  12.820   5.212   6.985
   49    H    GLN   9           HN       GLN   9  13.684   0.599   3.984
   50    HA   GLN   9           HA       GLN   9  16.239   1.937   3.635
   51    HB2  GLN   9           HB2      GLN   9  15.398  -0.331   4.943
   52    HB3  GLN   9           HB1      GLN   9  16.219  -1.004   3.535
   53    HG2  GLN   9           HG2      GLN   9  18.248   0.186   4.052
   54    HG3  GLN   9           HG1      GLN   9  17.441   1.122   5.311
   55   HE21  GLN   9          HE21      GLN   9  17.783   0.326   7.386
   56   HE22  GLN   9          HE22      GLN   9  18.128  -1.302   7.766
   57    H    CGU  10           HN       GLA  10  14.454  -0.543   1.768
   58    HA   CGU  10           HA       GLA  10  16.295  -0.926  -0.298
   59    HB2  CGU  10           HB2      GLA  10  13.283  -0.769  -0.520
   60    HB3  CGU  10           HB3      GLA  10  14.218  -2.213  -0.145
   61    HG   CGU  10           HG       GLA  10  14.390  -0.616  -2.715
   62    H    PHE  11           HN       PHE  11  14.450   1.824   0.443
   63    HA   PHE  11           HA       PHE  11  14.699   3.051  -2.200
   64    HB2  PHE  11           HB2      PHE  11  12.816   3.488  -0.668
   65    HB3  PHE  11           HB1      PHE  11  13.941   4.198   0.486
   66    HD1  PHE  11           HD1      PHE  11  13.232   4.467  -3.198
   67    HD2  PHE  11           HD2      PHE  11  14.031   6.530   0.483
   68    HE1  PHE  11           HE1      PHE  11  13.064   6.642  -4.380
   69    HE2  PHE  11           HE2      PHE  11  13.862   8.703  -0.696
   70    HZ   PHE  11           HZ       PHE  11  13.379   8.759  -3.128
   71    H    ALA  12           HN       ALA  12  16.351   3.236   0.931
   72    HA   ALA  12           HA       ALA  12  18.047   5.461   0.171
   73    HB1  ALA  12           HB1      ALA  12  18.016   3.467   2.418
   74    HB2  ALA  12           HB2      ALA  12  17.879   5.224   2.490
   75    HB3  ALA  12           HB3      ALA  12  19.443   4.473   2.169
   76    H    ARG  13           HN       ARG  13  18.355   1.928   0.082
   77    HA   ARG  13           HA       ARG  13  21.129   2.066  -0.854
   78    HB2  ARG  13           HB2      ARG  13  20.358   0.150   0.499
   79    HB3  ARG  13           HB1      ARG  13  19.198  -0.270  -0.762
   80    HG2  ARG  13           HG2      ARG  13  20.977  -0.699  -2.347
   81    HG3  ARG  13           HG1      ARG  13  22.189  -0.094  -1.215
   82    HD2  ARG  13           HD2      ARG  13  21.649  -1.913   0.352
   83    HD3  ARG  13           HD1      ARG  13  20.424  -2.519  -0.767
   84    HE   ARG  13           HE       ARG  13  22.853  -2.391  -2.204
   85   HH11  ARG  13          HH11      ARG  13  21.084  -4.840  -1.674
   86   HH12  ARG  13          HH12      ARG  13  22.211  -5.890  -0.880
   87   HH21  ARG  13          HH21      ARG  13  24.500  -3.370  -0.222
   88   HH22  ARG  13          HH22      ARG  13  24.146  -5.058  -0.061
   89    H    CGU  14           HN       GLA  14  17.943   1.996  -2.286
   90    HA   CGU  14           HA       GLA  14  18.371   0.916  -4.791
   91    HB2  CGU  14           HB2      GLA  14  16.905   3.265  -5.182
   92    HB3  CGU  14           HB3      GLA  14  16.589   2.817  -3.520
   93    HG   CGU  14           HG       GLA  14  15.964   0.563  -4.222
   94    H    LEU  15           HN       LEU  15  19.305   4.117  -3.571
   95    HA   LEU  15           HA       LEU  15  20.179   5.321  -5.956
   96    HB2  LEU  15           HB2      LEU  15  21.607   6.707  -4.585
   97    HB3  LEU  15           HB1      LEU  15  20.153   6.366  -3.648
   98    HG   LEU  15           HG       LEU  15  21.531   4.306  -2.776
   99   HD11  LEU  15          HD11      LEU  15  23.451   5.576  -4.439
  100   HD12  LEU  15          HD12      LEU  15  23.701   4.207  -3.358
  101   HD13  LEU  15          HD13      LEU  15  23.962   5.851  -2.774
  102   HD21  LEU  15          HD21      LEU  15  22.227   5.618  -0.881
  103   HD22  LEU  15          HD22      LEU  15  20.744   6.349  -1.494
  104   HD23  LEU  15          HD23      LEU  15  22.305   7.087  -1.854
  105    H    ALA  16           HN       ALA  16  21.681   2.791  -4.031
  106    HA   ALA  16           HA       ALA  16  24.306   2.757  -4.900
  107    HB1  ALA  16           HB1      ALA  16  24.158   0.249  -4.798
  108    HB2  ALA  16           HB2      ALA  16  22.408   0.405  -4.639
  109    HB3  ALA  16           HB3      ALA  16  23.467   1.050  -3.385
  110    H    ASN  17           HN       ASN  17  21.443   2.160  -6.805
  111    HA   ASN  17           HA       ASN  17  23.133   1.327  -9.115
  112    HB2  ASN  17           HB2      ASN  17  21.259  -0.160  -8.690
  113    HB3  ASN  17           HB1      ASN  17  20.137   1.201  -8.666
  114   HD21  ASN  17          HD21      ASN  17  21.277  -1.239 -10.663
  115   HD22  ASN  17          HD22      ASN  17  20.939  -0.526 -12.175
  116    HN1  NH2  18           H1       NH2  18  20.245   3.447  -8.598
  117    HN2  NH2  18           H2       NH2  18  20.749   4.642  -9.692
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1   2.132  -3.924   4.973
    2    H2   GLY   1           HT2      GLY   1   1.529  -2.639   4.039
    3    H3   GLY   1           HT3      GLY   1   0.681  -3.166   5.413
    4    HA2  GLY   1           HA1      GLY   1   2.464  -1.107   5.323
    5    HA3  GLY   1           HA2      GLY   1   1.870  -1.904   6.781
    6    H    GLU   2           HN       GLU   2   3.057  -4.200   7.044
    7    HA   GLU   2           HA       GLU   2   5.668  -3.792   7.863
    8    HB2  GLU   2           HB2      GLU   2   5.988  -6.188   7.797
    9    HB3  GLU   2           HB1      GLU   2   4.303  -5.888   8.224
   10    HG2  GLU   2           HG2      GLU   2   4.156  -7.549   6.557
   11    HG3  GLU   2           HG1      GLU   2   3.849  -6.053   5.673
   12    H    CGU   3           HN       GLA   3   4.515  -4.012   4.617
   13    HA   CGU   3           HA       GLA   3   7.150  -4.615   3.473
   14    HB2  CGU   3           HB2      GLA   3   4.610  -3.664   2.114
   15    HB3  CGU   3           HB3      GLA   3   5.047  -5.357   2.366
   16    HG   CGU   3           HG       GLA   3   6.716  -3.347   0.819
   17    H    CGU   4           HN       GLA   4   4.936  -1.794   3.446
   18    HA   CGU   4           HA       GLA   4   6.717  -0.003   2.154
   19    HB2  CGU   4           HB2      GLA   4   4.736   0.749   4.322
   20    HB3  CGU   4           HB3      GLA   4   4.265   0.398   2.658
   21    HG   CGU   4           HG       GLA   4   5.951   2.184   1.948
   22    H    LEU   5           HN       LEU   5   6.243  -0.625   5.644
   23    HA   LEU   5           HA       LEU   5   8.069   1.206   6.700
   24    HB2  LEU   5           HB2      LEU   5   6.575  -0.712   7.808
   25    HB3  LEU   5           HB1      LEU   5   8.119  -1.573   7.793
   26    HG   LEU   5           HG       LEU   5   7.710   1.199   8.943
   27   HD11  LEU   5          HD11      LEU   5   8.404  -0.510  11.006
   28   HD12  LEU   5          HD12      LEU   5   7.286  -1.484  10.051
   29   HD13  LEU   5          HD13      LEU   5   6.777   0.084  10.679
   30   HD21  LEU   5          HD21      LEU   5  10.042  -0.589   8.487
   31   HD22  LEU   5          HD22      LEU   5   9.986   0.232  10.048
   32   HD23  LEU   5          HD23      LEU   5   9.972   1.172   8.555
   33    H    ALA   6           HN       ALA   6   8.710  -1.917   5.152
   34    HA   ALA   6           HA       ALA   6  11.578  -1.757   5.735
   35    HB1  ALA   6           HB1      ALA   6  10.974  -3.982   5.561
   36    HB2  ALA   6           HB2      ALA   6  11.476  -3.695   3.894
   37    HB3  ALA   6           HB3      ALA   6   9.763  -3.669   4.317
   38    H    CGU   7           HN       GLA   7   9.483  -1.309   2.849
   39    HA   CGU   7           HA       GLA   7  11.415  -0.906   0.874
   40    HB2  CGU   7           HB2      GLA   7   9.827   0.789  -0.109
   41    HB3  CGU   7           HB3      GLA   7   8.879   0.692   1.375
   42    HG   CGU   7           HG       GLA   7   8.579  -1.742   1.004
   43    H    ASN   8           HN       ASN   8  10.582   1.063   3.595
   44    HA   ASN   8           HA       ASN   8  11.633   3.560   3.143
   45    HB2  ASN   8           HB2      ASN   8  10.795   2.270   5.333
   46    HB3  ASN   8           HB1      ASN   8  12.527   2.118   5.606
   47   HD21  ASN   8          HD21      ASN   8  12.942   3.662   7.180
   48   HD22  ASN   8          HD22      ASN   8  12.547   5.318   7.036
   49    H    GLN   9           HN       GLN   9  13.532   0.668   4.094
   50    HA   GLN   9           HA       GLN   9  16.050   2.107   3.720
   51    HB2  GLN   9           HB2      GLN   9  17.086  -0.123   4.177
   52    HB3  GLN   9           HB1      GLN   9  15.951   0.384   5.425
   53    HG2  GLN   9           HG2      GLN   9  14.282  -1.116   4.685
   54    HG3  GLN   9           HG1      GLN   9  15.067  -1.354   3.123
   55   HE21  GLN   9          HE21      GLN   9  14.484  -3.027   5.868
   56   HE22  GLN   9          HE22      GLN   9  15.904  -3.967   5.967
   57    H    CGU  10           HN       GLA  10  14.119  -0.207   1.874
   58    HA   CGU  10           HA       GLA  10  16.077  -0.828  -0.098
   59    HB2  CGU  10           HB2      GLA  10  13.095  -0.619  -0.537
   60    HB3  CGU  10           HB3      GLA  10  13.883  -2.015   0.193
   61    HG   CGU  10           HG       GLA  10  14.433  -0.918  -2.579
   62    H    PHE  11           HN       PHE  11  14.333   2.000   0.513
   63    HA   PHE  11           HA       PHE  11  14.569   3.074  -2.202
   64    HB2  PHE  11           HB2      PHE  11  12.687   3.637  -0.739
   65    HB3  PHE  11           HB1      PHE  11  13.801   4.338   0.430
   66    HD1  PHE  11           HD1      PHE  11  15.341   6.256  -0.393
   67    HD2  PHE  11           HD2      PHE  11  11.833   4.952  -2.502
   68    HE1  PHE  11           HE1      PHE  11  15.284   8.406  -1.629
   69    HE2  PHE  11           HE2      PHE  11  11.776   7.104  -3.737
   70    HZ   PHE  11           HZ       PHE  11  13.500   8.829  -3.300
   71    H    ALA  12           HN       ALA  12  16.362   3.170   0.807
   72    HA   ALA  12           HA       ALA  12  18.021   5.440  -0.011
   73    HB1  ALA  12           HB1      ALA  12  17.411   4.421   2.416
   74    HB2  ALA  12           HB2      ALA  12  18.867   5.371   2.119
   75    HB3  ALA  12           HB3      ALA  12  18.951   3.608   2.137
   76    H    ARG  13           HN       ARG  13  18.287   1.908  -0.006
   77    HA   ARG  13           HA       ARG  13  21.085   2.009  -0.891
   78    HB2  ARG  13           HB2      ARG  13  20.196   0.142   0.524
   79    HB3  ARG  13           HB1      ARG  13  19.181  -0.353  -0.832
   80    HG2  ARG  13           HG2      ARG  13  21.255  -0.569  -2.231
   81    HG3  ARG  13           HG1      ARG  13  22.210  -0.241  -0.785
   82    HD2  ARG  13           HD2      ARG  13  20.265  -2.542  -1.141
   83    HD3  ARG  13           HD1      ARG  13  22.027  -2.665  -1.157
   84    HE   ARG  13           HE       ARG  13  21.353  -1.443   1.286
   85   HH11  ARG  13          HH21      ARG  13  18.980  -3.235   1.217
   86   HH12  ARG  13          HH22      ARG  13  19.584  -4.690   1.934
   87   HH21  ARG  13          HH11      ARG  13  22.917  -3.822   1.521
   88   HH22  ARG  13          HH12      ARG  13  21.814  -5.021   2.107
   89    H    CGU  14           HN       GLA  14  17.916   1.875  -2.364
   90    HA   CGU  14           HA       GLA  14  18.430   0.741  -4.844
   91    HB2  CGU  14           HB2      GLA  14  16.849   2.988  -5.311
   92    HB3  CGU  14           HB3      GLA  14  16.541   2.590  -3.635
   93    HG   CGU  14           HG       GLA  14  16.157   0.221  -4.334
   94    H    LEU  15           HN       LEU  15  19.151   4.020  -3.686
   95    HA   LEU  15           HA       LEU  15  19.997   5.215  -6.080
   96    HB2  LEU  15           HB2      LEU  15  21.346   6.694  -4.702
   97    HB3  LEU  15           HB1      LEU  15  19.862   6.328  -3.825
   98    HG   LEU  15           HG       LEU  15  21.256   4.349  -2.815
   99   HD11  LEU  15          HD11      LEU  15  23.220   5.635  -4.437
  100   HD12  LEU  15          HD12      LEU  15  23.444   4.278  -3.335
  101   HD13  LEU  15          HD13      LEU  15  23.654   5.929  -2.754
  102   HD21  LEU  15          HD21      LEU  15  21.941   7.176  -1.968
  103   HD22  LEU  15          HD22      LEU  15  21.822   5.745  -0.944
  104   HD23  LEU  15          HD23      LEU  15  20.369   6.438  -1.664
  105    H    ALA  16           HN       ALA  16  21.619   2.836  -4.063
  106    HA   ALA  16           HA       ALA  16  24.255   2.938  -4.888
  107    HB1  ALA  16           HB1      ALA  16  22.565   0.425  -4.702
  108    HB2  ALA  16           HB2      ALA  16  23.350   1.226  -3.341
  109    HB3  ALA  16           HB3      ALA  16  24.325   0.493  -4.615
  110    H    ASN  17           HN       ASN  17  21.471   1.944  -6.795
  111    HA   ASN  17           HA       ASN  17  23.304   1.649  -9.144
  112    HB2  ASN  17           HB2      ASN  17  20.690   0.187  -8.640
  113    HB3  ASN  17           HB1      ASN  17  21.725  -0.003 -10.056
  114   HD21  ASN  17          HD21      ASN  17  21.106  -1.237  -6.943
  115   HD22  ASN  17          HD22      ASN  17  22.555  -2.115  -6.738
  116    HN1  NH2  18           H1       NH2  18  19.722   1.807  -8.937
  117    HN2  NH2  18           H2       NH2  18  19.574   3.217  -9.870
  Start of MODEL   11
    1    H1   GLY   1           HT1      GLY   1   1.124  -1.075   5.279
    2    H2   GLY   1           HT2      GLY   1   2.004  -0.795   6.707
    3    H3   GLY   1           HT3      GLY   1   0.461  -1.504   6.780
    4    HA2  GLY   1           HA1      GLY   1   1.505  -3.455   6.836
    5    HA3  GLY   1           HA2      GLY   1   1.795  -3.178   5.120
    6    H    GLU   2           HN       GLU   2   3.479  -4.428   7.345
    7    HA   GLU   2           HA       GLU   2   5.702  -2.754   7.932
    8    HB2  GLU   2           HB2      GLU   2   6.955  -4.938   8.188
    9    HB3  GLU   2           HB1      GLU   2   5.448  -4.851   9.103
   10    HG2  GLU   2           HG2      GLU   2   5.381  -6.975   8.049
   11    HG3  GLU   2           HG1      GLU   2   4.344  -5.953   7.055
   12    H    CGU   3           HN       GLA   3   4.900  -4.640   5.064
   13    HA   CGU   3           HA       GLA   3   7.423  -4.630   3.776
   14    HB2  CGU   3           HB2      GLA   3   4.628  -4.441   2.614
   15    HB3  CGU   3           HB3      GLA   3   5.580  -5.909   2.858
   16    HG   CGU   3           HG       GLA   3   7.328  -4.827   1.307
   17    H    CGU   4           HN       GLA   4   4.744  -2.324   3.156
   18    HA   CGU   4           HA       GLA   4   6.216  -0.476   1.638
   19    HB2  CGU   4           HB2      GLA   4   4.063   0.207   3.662
   20    HB3  CGU   4           HB3      GLA   4   3.743  -0.385   2.032
   21    HG   CGU   4           HG       GLA   4   5.251   2.153   2.737
   22    H    LEU   5           HN       LEU   5   5.953  -0.780   5.162
   23    HA   LEU   5           HA       LEU   5   7.444   1.590   5.794
   24    HB2  LEU   5           HB2      LEU   5   6.018  -0.201   7.258
   25    HB3  LEU   5           HB1      LEU   5   7.662  -0.729   7.628
   26    HG   LEU   5           HG       LEU   5   6.692   2.132   7.855
   27   HD11  LEU   5          HD11      LEU   5   5.651   0.500   9.490
   28   HD12  LEU   5          HD12      LEU   5   6.600   1.784  10.238
   29   HD13  LEU   5          HD13      LEU   5   7.277   0.163  10.082
   30   HD21  LEU   5          HD21      LEU   5   9.296   0.738   8.154
   31   HD22  LEU   5          HD22      LEU   5   8.910   1.916   9.407
   32   HD23  LEU   5          HD23      LEU   5   8.962   2.413   7.715
   33    H    ALA   6           HN       ALA   6   8.372  -1.656   4.861
   34    HA   ALA   6           HA       ALA   6  11.151  -1.314   5.725
   35    HB1  ALA   6           HB1      ALA   6  11.392  -3.455   4.238
   36    HB2  ALA   6           HB2      ALA   6   9.628  -3.432   4.215
   37    HB3  ALA   6           HB3      ALA   6  10.488  -3.566   5.749
   38    H    CGU   7           HN       GLA   7   9.325  -1.054   2.670
   39    HA   CGU   7           HA       GLA   7  11.397  -0.925   0.803
   40    HB2  CGU   7           HB2      GLA   7   9.999   0.726  -0.439
   41    HB3  CGU   7           HB3      GLA   7   8.991   0.921   0.995
   42    HG   CGU   7           HG       GLA   7   8.375  -1.449   0.912
   43    H    ASN   8           HN       ASN   8  10.463   1.358   3.253
   44    HA   ASN   8           HA       ASN   8  11.757   3.711   2.671
   45    HB2  ASN   8           HB2      ASN   8  10.613   2.613   4.875
   46    HB3  ASN   8           HB1      ASN   8  12.305   2.573   5.360
   47   HD21  ASN   8          HD21      ASN   8  10.047   4.324   6.333
   48   HD22  ASN   8          HD22      ASN   8  10.599   5.926   6.118
   49    H    GLN   9           HN       GLN   9  13.283   0.886   4.259
   50    HA   GLN   9           HA       GLN   9  15.936   1.966   4.189
   51    HB2  GLN   9           HB2      GLN   9  14.798  -0.165   5.417
   52    HB3  GLN   9           HB1      GLN   9  15.622  -0.981   4.087
   53    HG2  GLN   9           HG2      GLN   9  17.707   0.312   4.713
   54    HG3  GLN   9           HG1      GLN   9  16.850   0.844   6.161
   55   HE21  GLN   9          HE21      GLN   9  17.426  -0.427   7.921
   56   HE22  GLN   9          HE22      GLN   9  17.725  -2.105   7.863
   57    H    CGU  10           HN       GLA  10  14.255  -0.342   2.034
   58    HA   CGU  10           HA       GLA  10  16.319  -1.010   0.322
   59    HB2  CGU  10           HB2      GLA  10  13.395  -0.628  -0.042
   60    HB3  CGU  10           HB3      GLA  10  14.380  -2.053  -0.354
   61    HG   CGU  10           HG       GLA  10  14.260   0.438  -2.075
   62    H    PHE  11           HN       PHE  11  14.411   1.912   0.277
   63    HA   PHE  11           HA       PHE  11  15.311   3.199  -2.006
   64    HB2  PHE  11           HB2      PHE  11  13.611   3.939  -0.321
   65    HB3  PHE  11           HB1      PHE  11  14.946   4.472   0.695
   66    HD1  PHE  11           HD1      PHE  11  13.918   4.750  -2.913
   67    HD2  PHE  11           HD2      PHE  11  15.506   6.729   0.553
   68    HE1  PHE  11           HE1      PHE  11  14.047   6.877  -4.185
   69    HE2  PHE  11           HE2      PHE  11  15.635   8.853  -0.719
   70    HZ   PHE  11           HZ       PHE  11  14.906   8.928  -3.088
   71    H    ALA  12           HN       ALA  12  16.815   3.494   1.225
   72    HA   ALA  12           HA       ALA  12  18.930   5.178   0.582
   73    HB1  ALA  12           HB1      ALA  12  18.305   4.171   2.858
   74    HB2  ALA  12           HB2      ALA  12  20.024   4.408   2.537
   75    HB3  ALA  12           HB3      ALA  12  19.314   2.800   2.397
   76    H    ARG  13           HN       ARG  13  18.882   1.631   0.133
   77    HA   ARG  13           HA       ARG  13  21.618   1.713  -0.952
   78    HB2  ARG  13           HB2      ARG  13  19.589  -0.442  -0.434
   79    HB3  ARG  13           HB1      ARG  13  21.022  -0.774  -1.405
   80    HG2  ARG  13           HG2      ARG  13  21.307   0.572   1.271
   81    HG3  ARG  13           HG1      ARG  13  21.120  -1.180   1.184
   82    HD2  ARG  13           HD2      ARG  13  23.051  -1.286  -0.380
   83    HD3  ARG  13           HD1      ARG  13  23.261   0.460  -0.208
   84    HE   ARG  13           HE       ARG  13  23.271  -0.679   2.395
   85   HH11  ARG  13          HH21      ARG  13  25.095  -0.516  -0.525
   86   HH12  ARG  13          HH22      ARG  13  26.609  -0.853   0.247
   87   HH21  ARG  13          HH11      ARG  13  25.227  -1.186   3.409
   88   HH22  ARG  13          HH12      ARG  13  26.683  -1.235   2.472
   89    H    CGU  14           HN       GLA  14  18.382   0.959  -2.201
   90    HA   CGU  14           HA       GLA  14  18.943   0.169  -4.776
   91    HB2  CGU  14           HB2      GLA  14  16.752   0.926  -3.337
   92    HB3  CGU  14           HB3      GLA  14  16.708   0.453  -5.029
   93    HG   CGU  14           HG       GLA  14  17.181   3.264  -4.074
   94    H    LEU  15           HN       LEU  15  18.926   3.426  -3.469
   95    HA   LEU  15           HA       LEU  15  19.231   4.968  -5.782
   96    HB2  LEU  15           HB2      LEU  15  20.382   6.614  -4.434
   97    HB3  LEU  15           HB1      LEU  15  19.156   5.851  -3.426
   98    HG   LEU  15           HG       LEU  15  21.074   4.220  -2.721
   99   HD11  LEU  15          HD11      LEU  15  23.096   6.230  -2.871
  100   HD12  LEU  15          HD12      LEU  15  22.469   5.997  -4.501
  101   HD13  LEU  15          HD13      LEU  15  23.109   4.626  -3.598
  102   HD21  LEU  15          HD21      LEU  15  20.028   5.865  -1.220
  103   HD22  LEU  15          HD22      LEU  15  21.041   7.143  -1.889
  104   HD23  LEU  15          HD23      LEU  15  21.773   5.837  -0.958
  105    H    ALA  16           HN       ALA  16  21.621   2.915  -4.196
  106    HA   ALA  16           HA       ALA  16  24.008   3.683  -5.365
  107    HB1  ALA  16           HB1      ALA  16  24.192   1.809  -3.979
  108    HB2  ALA  16           HB2      ALA  16  24.405   1.090  -5.575
  109    HB3  ALA  16           HB3      ALA  16  22.847   0.978  -4.759
  110    H    ASN  17           HN       ASN  17  21.226   2.287  -6.963
  111    HA   ASN  17           HA       ASN  17  20.913   1.630  -9.215
  112    HB2  ASN  17           HB2      ASN  17  21.064   4.206  -9.147
  113    HB3  ASN  17           HB1      ASN  17  22.689   4.001  -9.802
  114   HD21  ASN  17          HD21      ASN  17  19.396   4.247 -10.667
  115   HD22  ASN  17          HD22      ASN  17  19.532   3.696 -12.276
  116    HN1  NH2  18           H1       NH2  18  22.336  -0.338  -9.005
  117    HN2  NH2  18           H2       NH2  18  23.834  -0.365  -9.804
  Start of MODEL   12
    1    H1   GLY   1           HT1      GLY   1   0.705  -2.982   4.689
    2    H2   GLY   1           HT2      GLY   1   1.855  -4.232   4.688
    3    H3   GLY   1           HT3      GLY   1   2.251  -2.709   4.050
    4    HA2  GLY   1           HA1      GLY   1   2.003  -1.713   6.254
    5    HA3  GLY   1           HA2      GLY   1   1.670  -3.322   6.896
    6    H    GLU   2           HN       GLU   2   3.394  -4.773   7.153
    7    HA   GLU   2           HA       GLU   2   5.945  -3.843   7.733
    8    HB2  GLU   2           HB2      GLU   2   5.191  -6.122   8.284
    9    HB3  GLU   2           HB1      GLU   2   5.233  -6.556   6.574
   10    HG2  GLU   2           HG2      GLU   2   7.618  -6.260   6.474
   11    HG3  GLU   2           HG1      GLU   2   7.653  -5.539   8.083
   12    H    CGU   3           HN       GLA   3   4.550  -4.410   4.599
   13    HA   CGU   3           HA       GLA   3   7.006  -4.609   3.107
   14    HB2  CGU   3           HB2      GLA   3   4.211  -3.739   2.321
   15    HB3  CGU   3           HB3      GLA   3   4.963  -5.314   2.045
   16    HG   CGU   3           HG       GLA   3   5.793  -2.670   0.805
   17    H    CGU   4           HN       GLA   4   4.756  -1.837   3.478
   18    HA   CGU   4           HA       GLA   4   6.400   0.102   2.253
   19    HB2  CGU   4           HB2      GLA   4   4.607   0.574   4.653
   20    HB3  CGU   4           HB3      GLA   4   4.017   0.437   2.996
   21    HG   CGU   4           HG       GLA   4   6.053   2.471   3.962
   22    H    LEU   5           HN       LEU   5   6.257  -0.849   5.696
   23    HA   LEU   5           HA       LEU   5   8.151   0.930   6.736
   24    HB2  LEU   5           HB2      LEU   5   6.757  -1.088   7.810
   25    HB3  LEU   5           HB1      LEU   5   8.308  -1.915   7.622
   26    HG   LEU   5           HG       LEU   5   7.871   0.723   9.047
   27   HD11  LEU   5          HD11      LEU   5   8.888  -1.800  10.317
   28   HD12  LEU   5          HD12      LEU   5   7.153  -1.592  10.083
   29   HD13  LEU   5          HD13      LEU   5   8.056  -0.436  11.062
   30   HD21  LEU   5          HD21      LEU   5  10.050   0.894   8.237
   31   HD22  LEU   5          HD22      LEU   5  10.302  -0.852   8.259
   32   HD23  LEU   5          HD23      LEU   5  10.329   0.063   9.767
   33    H    ALA   6           HN       ALA   6   8.648  -1.948   4.775
   34    HA   ALA   6           HA       ALA   6  11.541  -1.961   5.215
   35    HB1  ALA   6           HB1      ALA   6  10.821  -3.414   2.855
   36    HB2  ALA   6           HB2      ALA   6   9.599  -3.732   4.086
   37    HB3  ALA   6           HB3      ALA   6  11.298  -4.054   4.427
   38    H    CGU   7           HN       GLA   7   9.329  -0.951   2.569
   39    HA   CGU   7           HA       GLA   7  11.176  -0.280   0.588
   40    HB2  CGU   7           HB2      GLA   7   9.619   1.534  -0.079
   41    HB3  CGU   7           HB3      GLA   7   8.791   1.384   1.470
   42    HG   CGU   7           HG       GLA   7   8.207  -0.951   0.938
   43    H    ASN   8           HN       ASN   8  10.590   1.225   3.651
   44    HA   ASN   8           HA       ASN   8  11.694   3.733   3.548
   45    HB2  ASN   8           HB2      ASN   8  10.960   2.095   5.542
   46    HB3  ASN   8           HB1      ASN   8  12.705   1.908   5.684
   47   HD21  ASN   8          HD21      ASN   8  11.839   3.104   7.861
   48   HD22  ASN   8          HD22      ASN   8  12.006   4.801   7.823
   49    H    GLN   9           HN       GLN   9  13.585   0.720   4.013
   50    HA   GLN   9           HA       GLN   9  16.104   2.141   3.630
   51    HB2  GLN   9           HB2      GLN   9  17.108  -0.143   3.702
   52    HB3  GLN   9           HB1      GLN   9  16.054   0.182   5.079
   53    HG2  GLN   9           HG2      GLN   9  14.259  -1.088   4.104
   54    HG3  GLN   9           HG1      GLN   9  15.123  -1.242   2.574
   55   HE21  GLN   9          HE21      GLN   9  14.500  -2.828   5.509
   56   HE22  GLN   9          HE22      GLN   9  15.774  -3.962   5.451
   57    H    CGU  10           HN       GLA  10  14.004   0.108   1.635
   58    HA   CGU  10           HA       GLA  10  15.680  -0.400  -0.535
   59    HB2  CGU  10           HB2      GLA  10  12.782   0.435  -0.726
   60    HB3  CGU  10           HB3      GLA  10  13.323  -1.195  -0.334
   61    HG   CGU  10           HG       GLA  10  14.112   0.270  -2.864
   62    H    PHE  11           HN       PHE  11  14.474   2.582   0.559
   63    HA   PHE  11           HA       PHE  11  14.861   4.002  -1.963
   64    HB2  PHE  11           HB2      PHE  11  13.195   4.640  -0.247
   65    HB3  PHE  11           HB1      PHE  11  14.513   5.009   0.859
   66    HD1  PHE  11           HD1      PHE  11  16.308   6.716   0.014
   67    HD2  PHE  11           HD2      PHE  11  12.398   6.291  -1.713
   68    HE1  PHE  11           HE1      PHE  11  16.506   8.975  -0.992
   69    HE2  PHE  11           HE2      PHE  11  12.594   8.549  -2.718
   70    HZ   PHE  11           HZ       PHE  11  14.647   9.891  -2.357
   71    H    ALA  12           HN       ALA  12  16.644   3.616   1.090
   72    HA   ALA  12           HA       ALA  12  18.743   5.476   0.346
   73    HB1  ALA  12           HB1      ALA  12  17.973   4.206   2.686
   74    HB2  ALA  12           HB2      ALA  12  19.443   5.159   2.474
   75    HB3  ALA  12           HB3      ALA  12  19.492   3.407   2.279
   76    H    ARG  13           HN       ARG  13  18.269   1.987   0.030
   77    HA   ARG  13           HA       ARG  13  21.014   1.582  -0.931
   78    HB2  ARG  13           HB2      ARG  13  18.679  -0.349  -1.011
   79    HB3  ARG  13           HB1      ARG  13  20.390  -0.748  -1.147
   80    HG2  ARG  13           HG2      ARG  13  19.297   0.669   1.283
   81    HG3  ARG  13           HG1      ARG  13  19.277  -1.090   1.159
   82    HD2  ARG  13           HD2      ARG  13  21.717  -1.100   0.805
   83    HD3  ARG  13           HD1      ARG  13  21.743   0.663   0.920
   84    HE   ARG  13           HE       ARG  13  21.804  -1.086   3.150
   85   HH11  ARG  13          HH21      ARG  13  21.862   2.078   2.723
   86   HH12  ARG  13          HH22      ARG  13  20.723   2.525   3.949
   87   HH21  ARG  13          HH11      ARG  13  19.558  -0.707   4.418
   88   HH22  ARG  13          HH12      ARG  13  19.419   0.948   4.910
   89    H    CGU  14           HN       GLA  14  17.879   2.265  -2.315
   90    HA   CGU  14           HA       GLA  14  18.109   1.218  -4.881
   91    HB2  CGU  14           HB2      GLA  14  17.023   3.768  -5.158
   92    HB3  CGU  14           HB3      GLA  14  16.668   3.333  -3.500
   93    HG   CGU  14           HG       GLA  14  15.704   1.205  -4.262
   94    H    LEU  15           HN       LEU  15  19.510   4.189  -3.527
   95    HA   LEU  15           HA       LEU  15  20.588   5.326  -5.857
   96    HB2  LEU  15           HB2      LEU  15  22.262   6.364  -4.400
   97    HB3  LEU  15           HB1      LEU  15  20.701   6.351  -3.584
   98    HG   LEU  15           HG       LEU  15  21.508   4.062  -2.605
   99   HD11  LEU  15          HD11      LEU  15  23.803   4.867  -4.119
  100   HD12  LEU  15          HD12      LEU  15  23.606   3.432  -3.116
  101   HD13  LEU  15          HD13      LEU  15  24.226   4.922  -2.408
  102   HD21  LEU  15          HD21      LEU  15  21.155   6.255  -1.386
  103   HD22  LEU  15          HD22      LEU  15  22.862   6.605  -1.661
  104   HD23  LEU  15          HD23      LEU  15  22.394   5.216  -0.680
  105    H    ALA  16           HN       ALA  16  21.656   2.548  -3.992
  106    HA   ALA  16           HA       ALA  16  24.254   2.136  -4.879
  107    HB1  ALA  16           HB1      ALA  16  22.755   0.640  -3.384
  108    HB2  ALA  16           HB2      ALA  16  23.939  -0.163  -4.415
  109    HB3  ALA  16           HB3      ALA  16  22.242  -0.116  -4.893
  110    H    ASN  17           HN       ASN  17  21.243   1.391  -6.632
  111    HA   ASN  17           HA       ASN  17  21.005   0.565  -8.856
  112    HB2  ASN  17           HB2      ASN  17  21.025   3.028  -9.038
  113    HB3  ASN  17           HB1      ASN  17  22.781   3.000  -9.205
  114   HD21  ASN  17          HD21      ASN  17  20.008   3.203 -11.033
  115   HD22  ASN  17          HD22      ASN  17  20.587   2.537 -12.493
  116    HN1  NH2  18           H1       NH2  18  22.202  -1.448  -8.911
  117    HN2  NH2  18           H2       NH2  18  23.786  -1.535  -9.515
  Start of MODEL   13
    1    H1   GLY   1           HT1      GLY   1   0.803  -3.294   5.835
    2    H2   GLY   1           HT2      GLY   1   0.383  -2.325   7.165
    3    H3   GLY   1           HT3      GLY   1   1.680  -3.415   7.281
    4    HA2  GLY   1           HA1      GLY   1   1.996  -1.585   5.103
    5    HA3  GLY   1           HA2      GLY   1   1.871  -0.771   6.663
    6    H    GLU   2           HN       GLU   2   3.011  -3.964   6.943
    7    HA   GLU   2           HA       GLU   2   5.569  -3.110   7.938
    8    HB2  GLU   2           HB2      GLU   2   4.499  -5.201   8.688
    9    HB3  GLU   2           HB1      GLU   2   4.663  -5.870   7.063
   10    HG2  GLU   2           HG2      GLU   2   6.484  -6.609   8.619
   11    HG3  GLU   2           HG1      GLU   2   7.087  -5.747   7.202
   12    H    CGU   3           HN       GLA   3   4.418  -3.931   4.761
   13    HA   CGU   3           HA       GLA   3   6.993  -4.580   3.615
   14    HB2  CGU   3           HB2      GLA   3   4.472  -3.532   2.286
   15    HB3  CGU   3           HB3      GLA   3   4.886  -5.236   2.517
   16    HG   CGU   3           HG       GLA   3   6.508  -3.231   0.913
   17    H    CGU   4           HN       GLA   4   4.991  -1.611   3.500
   18    HA   CGU   4           HA       GLA   4   6.984  -0.027   2.176
   19    HB2  CGU   4           HB2      GLA   4   4.840   0.982   4.063
   20    HB3  CGU   4           HB3      GLA   4   4.518   0.523   2.392
   21    HG   CGU   4           HG       GLA   4   6.218   2.187   1.644
   22    H    LEU   5           HN       LEU   5   6.362  -0.778   5.563
   23    HA   LEU   5           HA       LEU   5   7.966   1.201   6.795
   24    HB2  LEU   5           HB2      LEU   5   6.470  -0.839   7.731
   25    HB3  LEU   5           HB1      LEU   5   8.077  -1.555   7.909
   26    HG   LEU   5           HG       LEU   5   7.247   1.156   8.981
   27   HD11  LEU   5          HD11      LEU   5   6.172  -0.640  10.233
   28   HD12  LEU   5          HD12      LEU   5   7.490   0.025  11.198
   29   HD13  LEU   5          HD13      LEU   5   7.702  -1.510  10.356
   30   HD21  LEU   5          HD21      LEU   5   9.511   0.532  10.292
   31   HD22  LEU   5          HD22      LEU   5   9.528   1.402   8.759
   32   HD23  LEU   5          HD23      LEU   5   9.824  -0.336   8.790
   33    H    ALA   6           HN       ALA   6   8.862  -1.859   5.259
   34    HA   ALA   6           HA       ALA   6  11.662  -1.602   6.102
   35    HB1  ALA   6           HB1      ALA   6  10.979  -3.447   3.881
   36    HB2  ALA   6           HB2      ALA   6  10.128  -3.741   5.398
   37    HB3  ALA   6           HB3      ALA   6  11.891  -3.750   5.361
   38    H    CGU   7           HN       GLA   7   9.749  -0.985   3.150
   39    HA   CGU   7           HA       GLA   7  11.759  -0.619   1.244
   40    HB2  CGU   7           HB2      GLA   7  10.303   1.232   0.312
   41    HB3  CGU   7           HB3      GLA   7   9.290   1.073   1.748
   42    HG   CGU   7           HG       GLA   7   8.915  -1.321   1.189
   43    H    ASN   8           HN       ASN   8  10.962   1.322   4.005
   44    HA   ASN   8           HA       ASN   8  12.132   3.772   3.654
   45    HB2  ASN   8           HB2      ASN   8  11.199   2.422   5.777
   46    HB3  ASN   8           HB1      ASN   8  12.922   2.261   6.104
   47   HD21  ASN   8          HD21      ASN   8  10.827   3.927   7.511
   48   HD22  ASN   8          HD22      ASN   8  11.432   5.524   7.472
   49    H    GLN   9           HN       GLN   9  13.901   0.771   4.514
   50    HA   GLN   9           HA       GLN   9  16.473   2.169   4.207
   51    HB2  GLN   9           HB2      GLN   9  17.468  -0.005   4.825
   52    HB3  GLN   9           HB1      GLN   9  16.217   0.472   5.973
   53    HG2  GLN   9           HG2      GLN   9  14.619  -1.024   4.974
   54    HG3  GLN   9           HG1      GLN   9  15.698  -1.363   3.620
   55   HE21  GLN   9          HE21      GLN   9  14.593  -2.764   6.396
   56   HE22  GLN   9          HE22      GLN   9  15.948  -3.718   6.803
   57    H    CGU  10           HN       GLA  10  14.517  -0.155   2.397
   58    HA   CGU  10           HA       GLA  10  16.559  -0.787   0.473
   59    HB2  CGU  10           HB2      GLA  10  13.581  -0.868  -0.003
   60    HB3  CGU  10           HB3      GLA  10  14.435  -2.112   0.906
   61    HG   CGU  10           HG       GLA  10  15.033  -1.294  -1.952
   62    H    PHE  11           HN       PHE  11  14.672   1.940   0.995
   63    HA   PHE  11           HA       PHE  11  14.664   2.862  -1.783
   64    HB2  PHE  11           HB2      PHE  11  12.862   3.441  -0.246
   65    HB3  PHE  11           HB1      PHE  11  14.010   4.236   0.824
   66    HD1  PHE  11           HD1      PHE  11  13.109   4.250  -2.824
   67    HD2  PHE  11           HD2      PHE  11  14.184   6.555   0.636
   68    HE1  PHE  11           HE1      PHE  11  12.913   6.334  -4.153
   69    HE2  PHE  11           HE2      PHE  11  13.987   8.640  -0.693
   70    HZ   PHE  11           HZ       PHE  11  13.353   8.529  -3.088
   71    H    ALA  12           HN       ALA  12  16.651   3.274   1.084
   72    HA   ALA  12           HA       ALA  12  18.101   5.571   0.007
   73    HB1  ALA  12           HB1      ALA  12  19.467   5.398   1.986
   74    HB2  ALA  12           HB2      ALA  12  18.915   3.751   2.286
   75    HB3  ALA  12           HB3      ALA  12  17.796   5.102   2.467
   76    H    ARG  13           HN       ARG  13  18.649   2.067   0.208
   77    HA   ARG  13           HA       ARG  13  21.326   2.348  -0.980
   78    HB2  ARG  13           HB2      ARG  13  20.017   0.383   0.567
   79    HB3  ARG  13           HB1      ARG  13  20.307  -0.360  -1.005
   80    HG2  ARG  13           HG2      ARG  13  22.435   1.112   0.571
   81    HG3  ARG  13           HG1      ARG  13  22.210  -0.636   0.626
   82    HD2  ARG  13           HD2      ARG  13  22.573  -0.768  -1.810
   83    HD3  ARG  13           HD1      ARG  13  22.790   0.984  -1.874
   84    HE   ARG  13           HE       ARG  13  24.997   0.634  -1.150
   85   HH11  ARG  13          HH11      ARG  13  24.351  -0.430   1.530
   86   HH12  ARG  13          HH12      ARG  13  25.012  -2.031   1.479
   87   HH21  ARG  13          HH21      ARG  13  25.260  -2.103  -1.978
   88   HH22  ARG  13          HH22      ARG  13  25.526  -2.977  -0.508
   89    H    CGU  14           HN       GLA  14  18.061   1.760  -2.065
   90    HA   CGU  14           HA       GLA  14  18.443   0.390  -4.454
   91    HB2  CGU  14           HB2      GLA  14  16.561   2.387  -4.955
   92    HB3  CGU  14           HB3      GLA  14  16.489   2.146  -3.222
   93    HG   CGU  14           HG       GLA  14  16.298  -0.300  -3.609
   94    H    LEU  15           HN       LEU  15  18.910   3.843  -3.746
   95    HA   LEU  15           HA       LEU  15  19.302   4.874  -6.308
   96    HB2  LEU  15           HB2      LEU  15  20.755   6.547  -5.286
   97    HB3  LEU  15           HB1      LEU  15  19.428   6.189  -4.182
   98    HG   LEU  15           HG       LEU  15  21.063   4.405  -3.183
   99   HD11  LEU  15          HD11      LEU  15  22.715   5.618  -5.186
  100   HD12  LEU  15          HD12      LEU  15  23.147   4.356  -4.034
  101   HD13  LEU  15          HD13      LEU  15  23.364   6.051  -3.606
  102   HD21  LEU  15          HD21      LEU  15  21.549   7.377  -2.793
  103   HD22  LEU  15          HD22      LEU  15  21.946   6.104  -1.638
  104   HD23  LEU  15          HD23      LEU  15  20.260   6.449  -2.026
  105    H    ALA  16           HN       ALA  16  21.458   2.831  -4.415
  106    HA   ALA  16           HA       ALA  16  23.888   3.078  -5.710
  107    HB1  ALA  16           HB1      ALA  16  23.797   1.479  -3.977
  108    HB2  ALA  16           HB2      ALA  16  24.029   0.501  -5.426
  109    HB3  ALA  16           HB3      ALA  16  22.426   0.641  -4.703
  110    H    ASN  17           HN       ASN  17  20.908   2.099  -7.125
  111    HA   ASN  17           HA       ASN  17  22.382   1.182  -9.564
  112    HB2  ASN  17           HB2      ASN  17  19.562   0.500  -8.675
  113    HB3  ASN  17           HB1      ASN  17  20.343  -0.080 -10.146
  114   HD21  ASN  17          HD21      ASN  17  22.828   0.080  -7.976
  115   HD22  ASN  17          HD22      ASN  17  22.756  -1.499  -7.334
  116    HN1  NH2  18           H1       NH2  18  22.279   3.862  -9.518
  117    HN2  NH2  18           H2       NH2  18  21.016   4.483 -10.466
  Start of MODEL   14
    1    H1   GLY   1           HT1      GLY   1   1.051  -5.169   3.840
    2    H2   GLY   1           HT2      GLY   1   2.119  -5.533   5.110
    3    H3   GLY   1           HT3      GLY   1   2.723  -5.212   3.555
    4    HA2  GLY   1           HA1      GLY   1   1.906  -2.930   3.696
    5    HA3  GLY   1           HA2      GLY   1   1.341  -3.274   5.331
    6    H    GLU   2           HN       GLU   2   3.540  -4.915   6.150
    7    HA   GLU   2           HA       GLU   2   5.361  -2.959   7.101
    8    HB2  GLU   2           HB2      GLU   2   5.786  -5.941   6.738
    9    HB3  GLU   2           HB1      GLU   2   6.808  -4.884   7.712
   10    HG2  GLU   2           HG2      GLU   2   3.828  -5.174   8.161
   11    HG3  GLU   2           HG1      GLU   2   5.031  -6.138   9.017
   12    H    CGU   3           HN       GLA   3   5.480  -5.019   4.223
   13    HA   CGU   3           HA       GLA   3   8.123  -4.646   3.399
   14    HB2  CGU   3           HB2      GLA   3   5.579  -4.687   1.754
   15    HB3  CGU   3           HB3      GLA   3   6.665  -6.042   2.088
   16    HG   CGU   3           HG       GLA   3   7.342  -3.556   0.478
   17    H    CGU   4           HN       GLA   4   5.362  -2.508   2.601
   18    HA   CGU   4           HA       GLA   4   6.885  -0.490   1.311
   19    HB2  CGU   4           HB2      GLA   4   4.428   0.016   3.007
   20    HB3  CGU   4           HB3      GLA   4   4.345  -0.701   1.399
   21    HG   CGU   4           HG       GLA   4   5.481   1.284   0.459
   22    H    LEU   5           HN       LEU   5   5.994  -0.858   4.748
   23    HA   LEU   5           HA       LEU   5   7.206   1.568   5.646
   24    HB2  LEU   5           HB2      LEU   5   5.702  -0.354   6.835
   25    HB3  LEU   5           HB1      LEU   5   7.299  -0.777   7.463
   26    HG   LEU   5           HG       LEU   5   6.096   2.005   7.570
   27   HD11  LEU   5          HD11      LEU   5   5.053   0.072   8.997
   28   HD12  LEU   5          HD12      LEU   5   5.460   1.594   9.789
   29   HD13  LEU   5          HD13      LEU   5   6.536   0.205   9.942
   30   HD21  LEU   5          HD21      LEU   5   8.724   0.809   8.223
   31   HD22  LEU   5          HD22      LEU   5   8.055   1.862   9.471
   32   HD23  LEU   5          HD23      LEU   5   8.313   2.481   7.839
   33    H    ALA   6           HN       ALA   6   8.519  -1.591   4.876
   34    HA   ALA   6           HA       ALA   6  11.094  -1.067   6.164
   35    HB1  ALA   6           HB1      ALA   6  11.524  -3.257   5.719
   36    HB2  ALA   6           HB2      ALA   6  11.002  -3.116   4.040
   37    HB3  ALA   6           HB3      ALA   6   9.809  -3.347   5.317
   38    H    CGU   7           HN       GLA   7   9.751  -0.833   2.864
   39    HA   CGU   7           HA       GLA   7  12.068  -0.474   1.345
   40    HB2  CGU   7           HB2      GLA   7  10.734   1.157  -0.030
   41    HB3  CGU   7           HB3      GLA   7   9.486   1.122   1.216
   42    HG   CGU   7           HG       GLA   7   9.208  -1.303   0.883
   43    H    ASN   8           HN       ASN   8  10.594   1.631   3.686
   44    HA   ASN   8           HA       ASN   8  11.744   4.103   3.366
   45    HB2  ASN   8           HB2      ASN   8  10.397   2.892   5.357
   46    HB3  ASN   8           HB1      ASN   8  12.011   2.845   6.059
   47   HD21  ASN   8          HD21      ASN   8  11.659   4.468   7.656
   48   HD22  ASN   8          HD22      ASN   8  11.370   6.104   7.261
   49    H    GLN   9           HN       GLN   9  13.316   1.286   4.924
   50    HA   GLN   9           HA       GLN   9  15.861   2.637   5.216
   51    HB2  GLN   9           HB2      GLN   9  14.751   0.383   6.298
   52    HB3  GLN   9           HB1      GLN   9  15.858  -0.315   5.116
   53    HG2  GLN   9           HG2      GLN   9  17.733   0.879   6.057
   54    HG3  GLN   9           HG1      GLN   9  16.668   1.806   7.116
   55   HE21  GLN   9          HE21      GLN   9  15.135  -1.007   7.272
   56   HE22  GLN   9          HE22      GLN   9  15.987  -1.790   8.526
   57    H    CGU  10           HN       GLA  10  14.616   0.173   2.950
   58    HA   CGU  10           HA       GLA  10  16.939  -0.239   1.444
   59    HB2  CGU  10           HB2      GLA  10  14.166   0.007   0.257
   60    HB3  CGU  10           HB3      GLA  10  14.713  -1.410   1.154
   61    HG   CGU  10           HG       GLA  10  16.638  -1.590  -0.474
   62    H    PHE  11           HN       PHE  11  14.924   2.546   1.605
   63    HA   PHE  11           HA       PHE  11  15.290   3.914  -0.753
   64    HB2  PHE  11           HB2      PHE  11  14.235   4.690   1.445
   65    HB3  PHE  11           HB1      PHE  11  15.855   5.192   1.919
   66    HD1  PHE  11           HD1      PHE  11  17.159   6.627   0.099
   67    HD2  PHE  11           HD2      PHE  11  12.888   6.218   0.297
   68    HE1  PHE  11           HE1      PHE  11  16.899   8.718  -1.207
   69    HE2  PHE  11           HE2      PHE  11  12.627   8.310  -1.008
   70    HZ   PHE  11           HZ       PHE  11  14.633   9.560  -1.761
   71    H    ALA  12           HN       ALA  12  17.753   3.339   1.739
   72    HA   ALA  12           HA       ALA  12  19.732   5.048   0.477
   73    HB1  ALA  12           HB1      ALA  12  21.171   4.383   2.190
   74    HB2  ALA  12           HB2      ALA  12  20.462   2.770   2.295
   75    HB3  ALA  12           HB3      ALA  12  19.593   4.160   2.946
   76    H    ARG  13           HN       ARG  13  18.753   1.711   0.092
   77    HA   ARG  13           HA       ARG  13  21.188   1.015  -1.409
   78    HB2  ARG  13           HB2      ARG  13  18.787  -0.421  -0.414
   79    HB3  ARG  13           HB1      ARG  13  19.522  -1.058  -1.884
   80    HG2  ARG  13           HG2      ARG  13  21.253  -0.370   0.477
   81    HG3  ARG  13           HG1      ARG  13  20.386  -1.905   0.440
   82    HD2  ARG  13           HD2      ARG  13  22.289  -0.909  -1.703
   83    HD3  ARG  13           HD1      ARG  13  22.652  -2.153  -0.502
   84    HE   ARG  13           HE       ARG  13  20.289  -2.911  -1.908
   85   HH11  ARG  13          HH21      ARG  13  22.756  -4.617  -1.455
   86   HH12  ARG  13          HH22      ARG  13  23.301  -4.870  -3.080
   87   HH21  ARG  13          HH11      ARG  13  21.378  -2.308  -4.406
   88   HH22  ARG  13          HH12      ARG  13  22.521  -3.565  -4.749
   89    H    CGU  14           HN       GLA  14  17.809   1.858  -2.110
   90    HA   CGU  14           HA       GLA  14  17.563   1.118  -4.752
   91    HB2  CGU  14           HB2      GLA  14  16.540   3.718  -4.553
   92    HB3  CGU  14           HB3      GLA  14  16.433   3.062  -2.933
   93    HG   CGU  14           HG       GLA  14  15.315   1.058  -3.831
   94    H    LEU  15           HN       LEU  15  19.335   3.906  -3.431
   95    HA   LEU  15           HA       LEU  15  19.938   5.307  -5.770
   96    HB2  LEU  15           HB2      LEU  15  21.990   6.046  -4.660
   97    HB3  LEU  15           HB1      LEU  15  20.683   5.972  -3.481
   98    HG   LEU  15           HG       LEU  15  21.537   3.532  -3.060
   99   HD11  LEU  15          HD11      LEU  15  23.403   2.909  -4.155
  100   HD12  LEU  15          HD12      LEU  15  24.275   4.273  -3.462
  101   HD13  LEU  15          HD13      LEU  15  23.431   4.457  -4.996
  102   HD21  LEU  15          HD21      LEU  15  23.170   5.932  -2.171
  103   HD22  LEU  15          HD22      LEU  15  23.062   4.382  -1.336
  104   HD23  LEU  15          HD23      LEU  15  21.643   5.424  -1.449
  105    H    ALA  16           HN       ALA  16  21.269   2.262  -4.612
  106    HA   ALA  16           HA       ALA  16  23.502   1.929  -6.249
  107    HB1  ALA  16           HB1      ALA  16  22.516   0.300  -4.528
  108    HB2  ALA  16           HB2      ALA  16  23.211  -0.422  -5.980
  109    HB3  ALA  16           HB3      ALA  16  21.461  -0.261  -5.825
  110    H    ASN  17           HN       ASN  17  20.085   1.373  -7.088
  111    HA   ASN  17           HA       ASN  17  20.883   0.914  -9.914
  112    HB2  ASN  17           HB2      ASN  17  18.144   0.719  -8.623
  113    HB3  ASN  17           HB1      ASN  17  18.582   0.169 -10.240
  114   HD21  ASN  17          HD21      ASN  17  21.244  -0.419  -8.305
  115   HD22  ASN  17          HD22      ASN  17  20.914  -2.034  -7.871
  116    HN1  NH2  18           H1       NH2  18  17.749   2.113  -9.851
  117    HN2  NH2  18           H2       NH2  18  18.072   3.733 -10.246
  Start of MODEL   15
    1    H1   GLY   1           HT1      GLY   1   0.133  -3.911   6.867
    2    H2   GLY   1           HT2      GLY   1   1.524  -4.694   6.283
    3    H3   GLY   1           HT3      GLY   1   0.122  -4.620   5.326
    4    HA2  GLY   1           HA1      GLY   1   1.267  -2.937   4.358
    5    HA3  GLY   1           HA2      GLY   1   0.464  -2.044   5.649
    6    H    GLU   2           HN       GLU   2   2.745  -4.247   6.856
    7    HA   GLU   2           HA       GLU   2   4.495  -2.044   7.675
    8    HB2  GLU   2           HB2      GLU   2   5.673  -3.750   8.977
    9    HB3  GLU   2           HB1      GLU   2   3.934  -3.919   9.217
   10    HG2  GLU   2           HG2      GLU   2   4.668  -6.131   8.827
   11    HG3  GLU   2           HG1      GLU   2   4.026  -5.614   7.266
   12    H    CGU   3           HN       GLA   3   4.356  -4.262   5.067
   13    HA   CGU   3           HA       GLA   3   7.077  -4.753   4.502
   14    HB2  CGU   3           HB2      GLA   3   4.825  -4.177   2.548
   15    HB3  CGU   3           HB3      GLA   3   5.261  -5.764   3.190
   16    HG   CGU   3           HG       GLA   3   7.114  -3.992   1.562
   17    H    CGU   4           HN       GLA   4   5.090  -2.103   3.136
   18    HA   CGU   4           HA       GLA   4   7.081  -0.644   1.865
   19    HB2  CGU   4           HB2      GLA   4   4.931   0.645   3.563
   20    HB3  CGU   4           HB3      GLA   4   4.603  -0.091   1.994
   21    HG   CGU   4           HG       GLA   4   6.327   1.423   0.986
   22    H    LEU   5           HN       LEU   5   6.460  -0.884   5.323
   23    HA   LEU   5           HA       LEU   5   8.027   1.282   6.244
   24    HB2  LEU   5           HB2      LEU   5   6.574  -0.618   7.479
   25    HB3  LEU   5           HB1      LEU   5   8.189  -1.288   7.741
   26    HG   LEU   5           HG       LEU   5   7.302   1.522   8.452
   27   HD11  LEU   5          HD11      LEU   5   8.243  -0.552  10.406
   28   HD12  LEU   5          HD12      LEU   5   6.578  -0.614   9.831
   29   HD13  LEU   5          HD13      LEU   5   7.168   0.820  10.670
   30   HD21  LEU   5          HD21      LEU   5   9.594   1.699   7.948
   31   HD22  LEU   5          HD22      LEU   5   9.944   0.074   8.538
   32   HD23  LEU   5          HD23      LEU   5   9.603   1.372   9.682
   33    H    ALA   6           HN       ALA   6   8.984  -1.993   5.257
   34    HA   ALA   6           HA       ALA   6  11.786  -1.543   5.976
   35    HB1  ALA   6           HB1      ALA   6  12.025  -3.774   5.601
   36    HB2  ALA   6           HB2      ALA   6  11.188  -3.700   4.049
   37    HB3  ALA   6           HB3      ALA   6  10.261  -3.795   5.548
   38    H    CGU   7           HN       GLA   7   9.840  -1.508   2.972
   39    HA   CGU   7           HA       GLA   7  11.846  -1.295   1.040
   40    HB2  CGU   7           HB2      GLA   7  10.277   0.224  -0.206
   41    HB3  CGU   7           HB3      GLA   7   9.275   0.311   1.243
   42    HG   CGU   7           HG       GLA   7   8.944  -2.126   1.174
   43    H    ASN   8           HN       ASN   8  10.825   0.979   3.455
   44    HA   ASN   8           HA       ASN   8  11.874   3.418   2.755
   45    HB2  ASN   8           HB2      ASN   8  10.937   2.381   5.046
   46    HB3  ASN   8           HB1      ASN   8  12.655   2.326   5.425
   47   HD21  ASN   8          HD21      ASN   8  12.823   4.061   6.874
   48   HD22  ASN   8          HD22      ASN   8  12.433   5.675   6.470
   49    H    GLN   9           HN       GLN   9  13.732   0.686   4.139
   50    HA   GLN   9           HA       GLN   9  16.273   2.056   3.816
   51    HB2  GLN   9           HB2      GLN   9  16.385   0.475   5.515
   52    HB3  GLN   9           HB1      GLN   9  15.374  -0.680   4.648
   53    HG2  GLN   9           HG2      GLN   9  17.793  -1.351   4.777
   54    HG3  GLN   9           HG1      GLN   9  17.177  -1.214   3.131
   55   HE21  GLN   9          HE21      GLN   9  18.703  -0.209   1.816
   56   HE22  GLN   9          HE22      GLN   9  19.706   1.086   2.294
   57    H    CGU  10           HN       GLA  10  14.473  -0.425   2.012
   58    HA   CGU  10           HA       GLA  10  16.493  -1.004   0.096
   59    HB2  CGU  10           HB2      GLA  10  13.504  -0.980  -0.361
   60    HB3  CGU  10           HB3      GLA  10  14.380  -2.314   0.384
   61    HG   CGU  10           HG       GLA  10  14.916  -1.221  -2.392
   62    H    PHE  11           HN       PHE  11  14.565   1.729   0.583
   63    HA   PHE  11           HA       PHE  11  14.788   2.743  -2.155
   64    HB2  PHE  11           HB2      PHE  11  12.851   3.233  -0.729
   65    HB3  PHE  11           HB1      PHE  11  13.908   4.042   0.424
   66    HD1  PHE  11           HD1      PHE  11  13.241   4.076  -3.274
   67    HD2  PHE  11           HD2      PHE  11  14.037   6.370   0.269
   68    HE1  PHE  11           HE1      PHE  11  13.068   6.170  -4.591
   69    HE2  PHE  11           HE2      PHE  11  13.864   8.465  -1.048
   70    HZ   PHE  11           HZ       PHE  11  13.379   8.364  -3.479
   71    H    ALA  12           HN       ALA  12  16.473   3.100   0.916
   72    HA   ALA  12           HA       ALA  12  18.017   5.421   0.075
   73    HB1  ALA  12           HB1      ALA  12  17.475   4.568   2.495
   74    HB2  ALA  12           HB2      ALA  12  19.046   5.300   2.171
   75    HB3  ALA  12           HB3      ALA  12  18.892   3.545   2.255
   76    H    ARG  13           HN       ARG  13  18.480   1.918   0.036
   77    HA   ARG  13           HA       ARG  13  21.266   2.204  -0.872
   78    HB2  ARG  13           HB2      ARG  13  20.421   0.302   0.605
   79    HB3  ARG  13           HB1      ARG  13  19.595  -0.322  -0.823
   80    HG2  ARG  13           HG2      ARG  13  21.805  -0.315  -2.024
   81    HG3  ARG  13           HG1      ARG  13  22.576   0.121  -0.497
   82    HD2  ARG  13           HD2      ARG  13  20.994  -2.399  -1.082
   83    HD3  ARG  13           HD1      ARG  13  22.726  -2.282  -0.745
   84    HE   ARG  13           HE       ARG  13  20.632  -2.351   1.243
   85   HH11  ARG  13          HH21      ARG  13  23.889  -1.655   0.504
   86   HH12  ARG  13          HH22      ARG  13  24.290  -1.100   2.095
   87   HH21  ARG  13          HH11      ARG  13  21.038  -1.334   3.281
   88   HH22  ARG  13          HH12      ARG  13  22.674  -0.919   3.669
   89    H    CGU  14           HN       GLA  14  18.090   1.869  -2.276
   90    HA   CGU  14           HA       GLA  14  18.644   0.711  -4.747
   91    HB2  CGU  14           HB2      GLA  14  16.857   2.796  -5.216
   92    HB3  CGU  14           HB3      GLA  14  16.626   2.403  -3.525
   93    HG   CGU  14           HG       GLA  14  16.335   0.042  -4.100
   94    H    LEU  15           HN       LEU  15  19.102   4.078  -3.686
   95    HA   LEU  15           HA       LEU  15  19.758   5.302  -6.106
   96    HB2  LEU  15           HB2      LEU  15  21.298   6.756  -4.759
   97    HB3  LEU  15           HB1      LEU  15  19.703   6.569  -4.033
   98    HG   LEU  15           HG       LEU  15  20.858   4.508  -2.820
   99   HD11  LEU  15          HD11      LEU  15  23.258   6.145  -2.580
  100   HD12  LEU  15          HD12      LEU  15  23.036   5.558  -4.228
  101   HD13  LEU  15          HD13      LEU  15  23.111   4.415  -2.887
  102   HD21  LEU  15          HD21      LEU  15  21.183   7.437  -2.108
  103   HD22  LEU  15          HD22      LEU  15  21.522   6.124  -0.981
  104   HD23  LEU  15          HD23      LEU  15  19.888   6.352  -1.604
  105    H    ALA  16           HN       ALA  16  21.678   3.068  -4.178
  106    HA   ALA  16           HA       ALA  16  24.223   3.343  -5.252
  107    HB1  ALA  16           HB1      ALA  16  22.841   0.672  -4.870
  108    HB2  ALA  16           HB2      ALA  16  23.487   1.636  -3.542
  109    HB3  ALA  16           HB3      ALA  16  24.573   0.999  -4.777
  110    H    ASN  17           HN       ASN  17  21.361   2.648  -6.961
  111    HA   ASN  17           HA       ASN  17  22.869   1.463  -9.242
  112    HB2  ASN  17           HB2      ASN  17  19.876   1.784  -8.868
  113    HB3  ASN  17           HB1      ASN  17  20.679   0.876 -10.150
  114   HD21  ASN  17          HD21      ASN  17  19.193   0.480  -7.167
  115   HD22  ASN  17          HD22      ASN  17  19.931  -0.983  -6.694
  116    HN1  NH2  18           H1       NH2  18  19.934   3.185  -9.955
  117    HN2  NH2  18           H2       NH2  18  20.656   4.529 -10.699
  Start of MODEL   16
    1    H1   GLY   1           HT1      GLY   1   0.071  -1.469   6.500
    2    H2   GLY   1           HT2      GLY   1   0.675  -3.003   6.917
    3    H3   GLY   1           HT3      GLY   1  -0.519  -2.853   5.718
    4    HA2  GLY   1           HA1      GLY   1   1.316  -3.100   4.406
    5    HA3  GLY   1           HA2      GLY   1   1.250  -1.346   4.567
    6    H    GLU   2           HN       GLU   2   2.628  -4.220   6.200
    7    HA   GLU   2           HA       GLU   2   4.687  -2.576   7.491
    8    HB2  GLU   2           HB2      GLU   2   5.483  -4.671   8.436
    9    HB3  GLU   2           HB1      GLU   2   3.724  -4.633   8.560
   10    HG2  GLU   2           HG2      GLU   2   4.155  -6.788   7.716
   11    HG3  GLU   2           HG1      GLU   2   3.755  -5.862   6.269
   12    H    CGU   3           HN       GLA   3   4.294  -4.239   4.508
   13    HA   CGU   3           HA       GLA   3   6.986  -4.946   3.912
   14    HB2  CGU   3           HB2      GLA   3   4.767  -4.006   2.066
   15    HB3  CGU   3           HB3      GLA   3   5.127  -5.680   2.505
   16    HG   CGU   3           HG       GLA   3   7.030  -3.817   1.047
   17    H    CGU   4           HN       GLA   4   5.201  -1.948   3.114
   18    HA   CGU   4           HA       GLA   4   7.412  -0.574   1.955
   19    HB2  CGU   4           HB2      GLA   4   5.232   0.802   3.525
   20    HB3  CGU   4           HB3      GLA   4   4.899   0.055   1.962
   21    HG   CGU   4           HG       GLA   4   7.099   2.094   2.413
   22    H    LEU   5           HN       LEU   5   6.412  -1.004   5.303
   23    HA   LEU   5           HA       LEU   5   7.856   1.019   6.586
   24    HB2  LEU   5           HB2      LEU   5   6.387  -1.043   7.473
   25    HB3  LEU   5           HB1      LEU   5   7.995  -1.709   7.777
   26    HG   LEU   5           HG       LEU   5   7.076   1.025   8.708
   27   HD11  LEU   5          HD11      LEU   5   6.015  -1.163   9.725
   28   HD12  LEU   5          HD12      LEU   5   6.584   0.115  10.800
   29   HD13  LEU   5          HD13      LEU   5   7.581  -1.313  10.525
   30   HD21  LEU   5          HD21      LEU   5   9.417   1.104   8.593
   31   HD22  LEU   5          HD22      LEU   5   9.591  -0.605   8.992
   32   HD23  LEU   5          HD23      LEU   5   9.147   0.553  10.246
   33    H    ALA   6           HN       ALA   6   9.053  -2.108   5.371
   34    HA   ALA   6           HA       ALA   6  11.761  -1.563   6.353
   35    HB1  ALA   6           HB1      ALA   6  10.454  -3.760   4.769
   36    HB2  ALA   6           HB2      ALA   6  11.352  -3.859   6.284
   37    HB3  ALA   6           HB3      ALA   6  12.212  -3.622   4.762
   38    H    CGU   7           HN       GLA   7  10.163  -1.657   3.127
   39    HA   CGU   7           HA       GLA   7  12.344  -1.087   1.481
   40    HB2  CGU   7           HB2      GLA   7  10.734   0.229   0.066
   41    HB3  CGU   7           HB3      GLA   7   9.555   0.116   1.374
   42    HG   CGU   7           HG       GLA   7   9.711  -2.376   1.238
   43    H    ASN   8           HN       ASN   8  10.747   0.898   3.814
   44    HA   ASN   8           HA       ASN   8  11.430   3.504   3.303
   45    HB2  ASN   8           HB2      ASN   8  10.454   2.240   5.444
   46    HB3  ASN   8           HB1      ASN   8  12.118   2.401   5.998
   47   HD21  ASN   8          HD21      ASN   8  12.098   4.109   7.431
   48   HD22  ASN   8          HD22      ASN   8  11.438   5.651   7.104
   49    H    GLN   9           HN       GLN   9  13.586   1.095   4.848
   50    HA   GLN   9           HA       GLN   9  15.868   2.903   4.774
   51    HB2  GLN   9           HB2      GLN   9  17.098   1.135   5.765
   52    HB3  GLN   9           HB1      GLN   9  15.468   0.955   6.416
   53    HG2  GLN   9           HG2      GLN   9  14.991  -0.699   4.586
   54    HG3  GLN   9           HG1      GLN   9  16.689  -0.602   4.119
   55   HE21  GLN   9          HE21      GLN   9  16.559  -0.156   7.445
   56   HE22  GLN   9          HE22      GLN   9  16.834  -1.766   7.938
   57    H    CGU  10           HN       GLA  10  14.747   0.155   2.819
   58    HA   CGU  10           HA       GLA  10  17.004  -0.205   1.198
   59    HB2  CGU  10           HB2      GLA  10  14.140  -0.258   0.220
   60    HB3  CGU  10           HB3      GLA  10  14.903  -1.581   1.104
   61    HG   CGU  10           HG       GLA  10  16.672  -1.668  -0.680
   62    H    PHE  11           HN       PHE  11  14.654   2.349   1.161
   63    HA   PHE  11           HA       PHE  11  14.953   3.545  -1.307
   64    HB2  PHE  11           HB2      PHE  11  13.687   4.329   0.781
   65    HB3  PHE  11           HB1      PHE  11  15.193   5.110   1.254
   66    HD1  PHE  11           HD1      PHE  11  16.352   6.549  -0.668
   67    HD2  PHE  11           HD2      PHE  11  12.179   5.539  -0.531
   68    HE1  PHE  11           HE1      PHE  11  15.841   8.449  -2.179
   69    HE2  PHE  11           HE2      PHE  11  11.669   7.438  -2.043
   70    HZ   PHE  11           HZ       PHE  11  13.500   8.893  -2.866
   71    H    ALA  12           HN       ALA  12  17.267   3.652   1.394
   72    HA   ALA  12           HA       ALA  12  19.099   5.465   0.106
   73    HB1  ALA  12           HB1      ALA  12  19.146   3.680   2.488
   74    HB2  ALA  12           HB2      ALA  12  19.570   5.387   2.352
   75    HB3  ALA  12           HB3      ALA  12  20.707   4.150   1.816
   76    H    ARG  13           HN       ARG  13  18.589   2.009  -0.109
   77    HA   ARG  13           HA       ARG  13  21.187   1.566  -1.418
   78    HB2  ARG  13           HB2      ARG  13  20.104  -0.168   0.042
   79    HB3  ARG  13           HB1      ARG  13  18.837  -0.333  -1.174
   80    HG2  ARG  13           HG2      ARG  13  20.742  -0.754  -2.853
   81    HG3  ARG  13           HG1      ARG  13  21.773  -0.980  -1.440
   82    HD2  ARG  13           HD2      ARG  13  19.239  -2.529  -2.055
   83    HD3  ARG  13           HD1      ARG  13  20.890  -3.142  -2.197
   84    HE   ARG  13           HE       ARG  13  20.592  -2.218   0.454
   85   HH11  ARG  13          HH21      ARG  13  19.594  -4.701  -1.706
   86   HH12  ARG  13          HH22      ARG  13  19.065  -5.770  -0.450
   87   HH21  ARG  13          HH11      ARG  13  19.766  -3.535   2.110
   88   HH22  ARG  13          HH12      ARG  13  19.159  -5.108   1.712
   89    H    CGU  14           HN       GLA  14  17.819   2.060  -2.361
   90    HA   CGU  14           HA       GLA  14  17.783   1.104  -4.953
   91    HB2  CGU  14           HB2      GLA  14  16.551   3.603  -5.035
   92    HB3  CGU  14           HB3      GLA  14  16.420   3.112  -3.360
   93    HG   CGU  14           HG       GLA  14  15.465   0.965  -4.054
   94    H    LEU  15           HN       LEU  15  19.159   4.162  -3.759
   95    HA   LEU  15           HA       LEU  15  19.879   5.381  -6.168
   96    HB2  LEU  15           HB2      LEU  15  21.686   6.459  -4.943
   97    HB3  LEU  15           HB1      LEU  15  20.293   6.313  -3.873
   98    HG   LEU  15           HG       LEU  15  21.385   4.036  -3.172
   99   HD11  LEU  15          HD11      LEU  15  23.403   3.571  -4.057
  100   HD12  LEU  15          HD12      LEU  15  24.043   5.074  -3.396
  101   HD13  LEU  15          HD13      LEU  15  23.335   5.054  -5.009
  102   HD21  LEU  15          HD21      LEU  15  21.112   6.059  -1.739
  103   HD22  LEU  15          HD22      LEU  15  22.646   6.675  -2.357
  104   HD23  LEU  15          HD23      LEU  15  22.612   5.194  -1.398
  105    H    ALA  16           HN       ALA  16  21.343   2.620  -4.550
  106    HA   ALA  16           HA       ALA  16  23.773   2.353  -5.882
  107    HB1  ALA  16           HB1      ALA  16  21.977  -0.042  -5.596
  108    HB2  ALA  16           HB2      ALA  16  22.571   0.782  -4.155
  109    HB3  ALA  16           HB3      ALA  16  23.712   0.085  -5.305
  110    H    ASN  17           HN       ASN  17  20.533   1.503  -7.070
  111    HA   ASN  17           HA       ASN  17  21.292   0.285  -9.509
  112    HB2  ASN  17           HB2      ASN  17  18.975   0.263  -8.734
  113    HB3  ASN  17           HB1      ASN  17  18.879   2.018  -8.892
  114   HD21  ASN  17          HD21      ASN  17  17.988  -0.758 -10.478
  115   HD22  ASN  17          HD22      ASN  17  17.990  -0.181 -12.084
  116    HN1  NH2  18           H1       NH2  18  19.885   3.588  -9.528
  117    HN2  NH2  18           H2       NH2  18  21.006   4.229 -10.631
  Start of MODEL   17
    1    H1   GLY   1           HT1      GLY   1   2.935  -0.666   4.863
    2    H2   GLY   1           HT2      GLY   1   1.245  -0.488   4.863
    3    H3   GLY   1           HT3      GLY   1   1.971  -1.734   3.965
    4    HA2  GLY   1           HA1      GLY   1   1.367  -1.593   6.799
    5    HA3  GLY   1           HA2      GLY   1   1.436  -2.994   5.731
    6    H    GLU   2           HN       GLU   2   2.954  -4.344   6.589
    7    HA   GLU   2           HA       GLU   2   5.304  -3.299   7.980
    8    HB2  GLU   2           HB2      GLU   2   4.177  -5.405   8.684
    9    HB3  GLU   2           HB1      GLU   2   4.643  -6.142   7.152
   10    HG2  GLU   2           HG2      GLU   2   6.291  -6.816   8.759
   11    HG3  GLU   2           HG1      GLU   2   7.051  -5.588   7.750
   12    H    CGU   3           HN       GLA   3   4.503  -4.208   4.749
   13    HA   CGU   3           HA       GLA   3   7.267  -4.749   3.941
   14    HB2  CGU   3           HB2      GLA   3   4.709  -4.336   2.366
   15    HB3  CGU   3           HB3      GLA   3   5.516  -5.870   2.708
   16    HG   CGU   3           HG       GLA   3   6.626  -3.599   1.024
   17    H    CGU   4           HN       GLA   4   4.908  -2.116   3.390
   18    HA   CGU   4           HA       GLA   4   6.552  -0.412   1.870
   19    HB2  CGU   4           HB2      GLA   4   4.643   0.524   4.027
   20    HB3  CGU   4           HB3      GLA   4   4.108  -0.064   2.453
   21    HG   CGU   4           HG       GLA   4   5.519   1.681   1.362
   22    H    LEU   5           HN       LEU   5   6.177  -0.446   5.436
   23    HA   LEU   5           HA       LEU   5   8.042   1.547   6.067
   24    HB2  LEU   5           HB2      LEU   5   6.517  -0.089   7.556
   25    HB3  LEU   5           HB1      LEU   5   8.069  -0.915   7.744
   26    HG   LEU   5           HG       LEU   5   7.624   2.042   8.246
   27   HD11  LEU   5          HD11      LEU   5   7.901  -0.277  10.184
   28   HD12  LEU   5          HD12      LEU   5   6.447   0.683   9.918
   29   HD13  LEU   5          HD13      LEU   5   7.873   1.428  10.640
   30   HD21  LEU   5          HD21      LEU   5   9.893   1.474   9.525
   31   HD22  LEU   5          HD22      LEU   5   9.894   1.877   7.809
   32   HD23  LEU   5          HD23      LEU   5   9.976   0.190   8.318
   33    H    ALA   6           HN       ALA   6   8.592  -1.687   4.875
   34    HA   ALA   6           HA       ALA   6  11.423  -1.689   5.625
   35    HB1  ALA   6           HB1      ALA   6  11.134  -3.648   3.694
   36    HB2  ALA   6           HB2      ALA   6   9.518  -3.569   4.396
   37    HB3  ALA   6           HB3      ALA   6  10.913  -3.895   5.426
   38    H    CGU   7           HN       GLA   7   9.532  -1.183   2.620
   39    HA   CGU   7           HA       GLA   7  11.589  -1.012   0.737
   40    HB2  CGU   7           HB2      GLA   7  10.199   0.812  -0.351
   41    HB3  CGU   7           HB3      GLA   7   9.152   0.768   1.068
   42    HG   CGU   7           HG       GLA   7   8.755  -1.659   0.655
   43    H    ASN   8           HN       ASN   8  10.754   1.141   3.324
   44    HA   ASN   8           HA       ASN   8  12.053   3.514   2.852
   45    HB2  ASN   8           HB2      ASN   8  10.965   2.377   5.026
   46    HB3  ASN   8           HB1      ASN   8  12.659   2.119   5.425
   47   HD21  ASN   8          HD21      ASN   8  12.913   3.692   7.049
   48   HD22  ASN   8          HD22      ASN   8  12.712   5.366   6.779
   49    H    GLN   9           HN       GLN   9  13.603   0.520   4.059
   50    HA   GLN   9           HA       GLN   9  16.270   1.643   3.929
   51    HB2  GLN   9           HB2      GLN   9  15.144  -0.529   5.166
   52    HB3  GLN   9           HB1      GLN   9  16.010  -1.292   3.833
   53    HG2  GLN   9           HG2      GLN   9  18.082  -0.184   4.494
   54    HG3  GLN   9           HG1      GLN   9  17.233   0.698   5.764
   55   HE21  GLN   9          HE21      GLN   9  19.137  -2.015   5.255
   56   HE22  GLN   9          HE22      GLN   9  18.657  -2.935   6.609
   57    H    CGU  10           HN       GLA  10  14.443  -0.647   1.880
   58    HA   CGU  10           HA       GLA  10  16.520  -1.105  -0.009
   59    HB2  CGU  10           HB2      GLA  10  13.529  -1.111  -0.447
   60    HB3  CGU  10           HB3      GLA  10  14.487  -2.488   0.086
   61    HG   CGU  10           HG       GLA  10  14.691  -1.049  -2.571
   62    H    PHE  11           HN       PHE  11  14.507   1.574   0.519
   63    HA   PHE  11           HA       PHE  11  14.810   2.690  -2.163
   64    HB2  PHE  11           HB2      PHE  11  12.837   3.114  -0.784
   65    HB3  PHE  11           HB1      PHE  11  13.849   3.882   0.435
   66    HD1  PHE  11           HD1      PHE  11  13.386   4.071  -3.291
   67    HD2  PHE  11           HD2      PHE  11  13.872   6.213   0.400
   68    HE1  PHE  11           HE1      PHE  11  13.230   6.220  -4.518
   69    HE2  PHE  11           HE2      PHE  11  13.717   8.362  -0.827
   70    HZ   PHE  11           HZ       PHE  11  13.393   8.366  -3.286
   71    H    ALA  12           HN       ALA  12  16.066   3.532   1.080
   72    HA   ALA  12           HA       ALA  12  17.698   5.694   0.280
   73    HB1  ALA  12           HB1      ALA  12  18.220   3.655   2.467
   74    HB2  ALA  12           HB2      ALA  12  17.277   5.135   2.642
   75    HB3  ALA  12           HB3      ALA  12  19.009   5.226   2.328
   76    H    ARG  13           HN       ARG  13  18.336   2.208   0.193
   77    HA   ARG  13           HA       ARG  13  21.088   2.652  -0.744
   78    HB2  ARG  13           HB2      ARG  13  19.460   0.122  -0.376
   79    HB3  ARG  13           HB1      ARG  13  21.151   0.152  -0.875
   80    HG2  ARG  13           HG2      ARG  13  20.230   1.533   1.648
   81    HG3  ARG  13           HG1      ARG  13  20.673  -0.175   1.641
   82    HD2  ARG  13           HD2      ARG  13  22.876   0.498   0.589
   83    HD3  ARG  13           HD1      ARG  13  22.431   2.179   0.897
   84    HE   ARG  13           HE       ARG  13  22.851   1.823   3.199
   85   HH11  ARG  13          HH21      ARG  13  24.334  -0.588   1.578
   86   HH12  ARG  13          HH22      ARG  13  24.203  -1.798   2.810
   87   HH21  ARG  13          HH11      ARG  13  21.977   0.029   4.741
   88   HH22  ARG  13          HH12      ARG  13  22.869  -1.450   4.599
   89    H    CGU  14           HN       GLA  14  17.944   2.115  -2.177
   90    HA   CGU  14           HA       GLA  14  18.472   0.879  -4.565
   91    HB2  CGU  14           HB2      GLA  14  16.885   3.112  -5.177
   92    HB3  CGU  14           HB3      GLA  14  16.553   2.750  -3.499
   93    HG   CGU  14           HG       GLA  14  16.107   0.416  -4.071
   94    H    LEU  15           HN       LEU  15  19.229   4.254  -3.707
   95    HA   LEU  15           HA       LEU  15  20.012   5.245  -6.200
   96    HB2  LEU  15           HB2      LEU  15  22.025   6.085  -4.377
   97    HB3  LEU  15           HB1      LEU  15  20.587   6.974  -4.876
   98    HG   LEU  15           HG       LEU  15  20.546   4.893  -2.680
   99   HD11  LEU  15          HD11      LEU  15  21.152   7.846  -2.605
  100   HD12  LEU  15          HD12      LEU  15  21.993   6.528  -1.789
  101   HD13  LEU  15          HD13      LEU  15  20.405   7.045  -1.222
  102   HD21  LEU  15          HD21      LEU  15  18.678   7.228  -3.004
  103   HD22  LEU  15          HD22      LEU  15  18.382   5.668  -2.238
  104   HD23  LEU  15          HD23      LEU  15  18.442   5.789  -3.995
  105    H    ALA  16           HN       ALA  16  21.738   2.998  -4.096
  106    HA   ALA  16           HA       ALA  16  24.291   2.957  -5.163
  107    HB1  ALA  16           HB1      ALA  16  22.655   0.455  -4.661
  108    HB2  ALA  16           HB2      ALA  16  23.383   1.422  -3.377
  109    HB3  ALA  16           HB3      ALA  16  24.409   0.617  -4.565
  110    H    ASN  17           HN       ASN  17  21.367   2.360  -6.848
  111    HA   ASN  17           HA       ASN  17  22.955   1.426  -9.203
  112    HB2  ASN  17           HB2      ASN  17  20.146   0.539  -8.476
  113    HB3  ASN  17           HB1      ASN  17  21.086  -0.003  -9.867
  114   HD21  ASN  17          HD21      ASN  17  20.143  -1.108  -6.938
  115   HD22  ASN  17          HD22      ASN  17  21.498  -2.049  -6.511
  116    HN1  NH2  18           H1       NH2  18  19.899   1.526 -10.313
  117    HN2  NH2  18           H2       NH2  18  19.784   3.152 -10.787
  Start of MODEL   18
    1    H1   GLY   1           HT1      GLY   1   1.063  -4.492   5.887
    2    H2   GLY   1           HT2      GLY   1   1.497  -4.231   4.265
    3    H3   GLY   1           HT3      GLY   1   0.013  -3.653   4.854
    4    HA2  GLY   1           HA1      GLY   1   1.659  -1.870   4.625
    5    HA3  GLY   1           HA2      GLY   1   1.119  -2.092   6.289
    6    H    GLU   2           HN       GLU   2   2.650  -4.642   6.527
    7    HA   GLU   2           HA       GLU   2   5.075  -3.577   7.592
    8    HB2  GLU   2           HB2      GLU   2   4.382  -6.420   6.789
    9    HB3  GLU   2           HB1      GLU   2   5.781  -5.962   7.761
   10    HG2  GLU   2           HG2      GLU   2   4.328  -5.041   9.491
   11    HG3  GLU   2           HG1      GLU   2   2.902  -5.369   8.506
   12    H    CGU   3           HN       GLA   3   4.224  -3.742   4.429
   13    HA   CGU   3           HA       GLA   3   6.823  -4.652   3.372
   14    HB2  CGU   3           HB2      GLA   3   4.389  -3.470   1.995
   15    HB3  CGU   3           HB3      GLA   3   4.805  -5.185   2.092
   16    HG   CGU   3           HG       GLA   3   6.467  -3.030   0.739
   17    H    CGU   4           HN       GLA   4   4.909  -1.632   3.092
   18    HA   CGU   4           HA       GLA   4   6.936  -0.005   2.024
   19    HB2  CGU   4           HB2      GLA   4   5.012   1.024   4.109
   20    HB3  CGU   4           HB3      GLA   4   4.445   0.544   2.508
   21    HG   CGU   4           HG       GLA   4   5.986   2.139   1.460
   22    H    LEU   5           HN       LEU   5   6.385  -1.011   5.360
   23    HA   LEU   5           HA       LEU   5   8.053   0.762   6.744
   24    HB2  LEU   5           HB2      LEU   5   6.640  -1.392   7.486
   25    HB3  LEU   5           HB1      LEU   5   8.247  -2.128   7.448
   26    HG   LEU   5           HG       LEU   5   7.549   0.416   8.940
   27   HD11  LEU   5          HD11      LEU   5   6.546  -1.147  10.301
   28   HD12  LEU   5          HD12      LEU   5   8.205  -1.329  10.871
   29   HD13  LEU   5          HD13      LEU   5   7.546  -2.468   9.697
   30   HD21  LEU   5          HD21      LEU   5   9.831   0.588   8.553
   31   HD22  LEU   5          HD22      LEU   5  10.053  -1.161   8.469
   32   HD23  LEU   5          HD23      LEU   5   9.841  -0.373  10.032
   33    H    ALA   6           HN       ALA   6   8.947  -2.092   4.830
   34    HA   ALA   6           HA       ALA   6  11.779  -1.804   5.545
   35    HB1  ALA   6           HB1      ALA   6  10.366  -3.961   4.820
   36    HB2  ALA   6           HB2      ALA   6  12.092  -3.829   4.481
   37    HB3  ALA   6           HB3      ALA   6  10.916  -3.472   3.217
   38    H    CGU   7           HN       GLA   7   9.720  -1.114   2.695
   39    HA   CGU   7           HA       GLA   7  11.651  -0.444   0.793
   40    HB2  CGU   7           HB2      GLA   7  10.028   1.342   0.020
   41    HB3  CGU   7           HB3      GLA   7   9.061   0.994   1.454
   42    HG   CGU   7           HG       GLA   7   8.827  -1.353   0.731
   43    H    ASN   8           HN       ASN   8  10.756   1.204   3.701
   44    HA   ASN   8           HA       ASN   8  11.724   3.764   3.519
   45    HB2  ASN   8           HB2      ASN   8  10.910   2.240   5.553
   46    HB3  ASN   8           HB1      ASN   8  12.643   2.099   5.828
   47   HD21  ASN   8          HD21      ASN   8  12.879   3.450   7.635
   48   HD22  ASN   8          HD22      ASN   8  12.495   5.115   7.631
   49    H    GLN   9           HN       GLN   9  13.738   0.909   4.323
   50    HA   GLN   9           HA       GLN   9  16.179   2.502   3.972
   51    HB2  GLN   9           HB2      GLN   9  17.337   0.346   4.503
   52    HB3  GLN   9           HB1      GLN   9  16.170   0.835   5.731
   53    HG2  GLN   9           HG2      GLN   9  14.485  -0.670   4.679
   54    HG3  GLN   9           HG1      GLN   9  15.715  -1.208   3.537
   55   HE21  GLN   9          HE21      GLN   9  16.606  -3.160   4.173
   56   HE22  GLN   9          HE22      GLN   9  16.887  -3.632   5.788
   57    H    CGU  10           HN       GLA  10  14.718  -0.328   2.323
   58    HA   CGU  10           HA       GLA  10  16.625  -0.743   0.346
   59    HB2  CGU  10           HB2      GLA  10  13.638  -0.716  -0.121
   60    HB3  CGU  10           HB3      GLA  10  14.523  -2.060   0.593
   61    HG   CGU  10           HG       GLA  10  14.956  -0.909  -2.177
   62    H    PHE  11           HN       PHE  11  14.795   2.006   0.898
   63    HA   PHE  11           HA       PHE  11  14.935   3.053  -1.830
   64    HB2  PHE  11           HB2      PHE  11  13.075   3.611  -0.375
   65    HB3  PHE  11           HB1      PHE  11  14.177   4.292   0.817
   66    HD1  PHE  11           HD1      PHE  11  15.697   6.241   0.071
   67    HD2  PHE  11           HD2      PHE  11  12.235   4.964  -2.125
   68    HE1  PHE  11           HE1      PHE  11  15.637   8.423  -1.102
   69    HE2  PHE  11           HE2      PHE  11  12.174   7.147  -3.300
   70    HZ   PHE  11           HZ       PHE  11  13.876   8.877  -2.788
   71    H    ALA  12           HN       ALA  12  16.771   3.343   1.165
   72    HA   ALA  12           HA       ALA  12  18.314   5.641   0.313
   73    HB1  ALA  12           HB1      ALA  12  18.239   5.279   2.654
   74    HB2  ALA  12           HB2      ALA  12  19.878   4.824   2.189
   75    HB3  ALA  12           HB3      ALA  12  18.667   3.577   2.487
   76    H    ARG  13           HN       ARG  13  18.893   2.121   0.267
   77    HA   ARG  13           HA       ARG  13  21.507   2.510  -1.018
   78    HB2  ARG  13           HB2      ARG  13  21.165   0.646   0.564
   79    HB3  ARG  13           HB1      ARG  13  19.933  -0.030  -0.502
   80    HG2  ARG  13           HG2      ARG  13  21.626  -0.210  -2.312
   81    HG3  ARG  13           HG1      ARG  13  22.853   0.398  -1.201
   82    HD2  ARG  13           HD2      ARG  13  22.457  -1.514   0.300
   83    HD3  ARG  13           HD1      ARG  13  21.213  -2.122  -0.798
   84    HE   ARG  13           HE       ARG  13  23.701  -1.759  -2.206
   85   HH11  ARG  13          HH21      ARG  13  22.165  -3.691   0.198
   86   HH12  ARG  13          HH22      ARG  13  22.997  -5.143  -0.245
   87   HH21  ARG  13          HH11      ARG  13  24.735  -3.664  -2.856
   88   HH22  ARG  13          HH12      ARG  13  24.448  -5.129  -1.980
   89    H    CGU  14           HN       GLA  14  18.206   1.962  -2.022
   90    HA   CGU  14           HA       GLA  14  18.428   0.697  -4.454
   91    HB2  CGU  14           HB2      GLA  14  16.720   2.878  -4.858
   92    HB3  CGU  14           HB3      GLA  14  16.644   2.555  -3.140
   93    HG   CGU  14           HG       GLA  14  16.255   0.148  -3.665
   94    H    LEU  15           HN       LEU  15  19.107   4.138  -3.753
   95    HA   LEU  15           HA       LEU  15  19.600   5.072  -6.342
   96    HB2  LEU  15           HB2      LEU  15  21.231   6.644  -5.307
   97    HB3  LEU  15           HB1      LEU  15  19.736   6.539  -4.381
   98    HG   LEU  15           HG       LEU  15  20.973   4.663  -3.050
   99   HD11  LEU  15          HD11      LEU  15  23.111   4.266  -3.624
  100   HD12  LEU  15          HD12      LEU  15  23.516   5.938  -3.241
  101   HD13  LEU  15          HD13      LEU  15  23.025   5.503  -4.876
  102   HD21  LEU  15          HD21      LEU  15  21.394   7.639  -2.888
  103   HD22  LEU  15          HD22      LEU  15  22.180   6.575  -1.722
  104   HD23  LEU  15          HD23      LEU  15  20.422   6.597  -1.849
  105    H    ALA  16           HN       ALA  16  21.559   2.958  -4.341
  106    HA   ALA  16           HA       ALA  16  24.033   3.035  -5.626
  107    HB1  ALA  16           HB1      ALA  16  24.342   0.736  -4.901
  108    HB2  ALA  16           HB2      ALA  16  22.599   0.507  -4.761
  109    HB3  ALA  16           HB3      ALA  16  23.436   1.596  -3.655
  110    H    ASN  17           HN       ASN  17  21.024   1.544  -6.725
  111    HA   ASN  17           HA       ASN  17  22.228   0.187  -8.990
  112    HB2  ASN  17           HB2      ASN  17  20.063  -0.532  -8.045
  113    HB3  ASN  17           HB1      ASN  17  19.347   1.011  -8.512
  114   HD21  ASN  17          HD21      ASN  17  18.175   0.821 -10.412
  115   HD22  ASN  17          HD22      ASN  17  18.580  -0.198 -11.721
  116    HN1  NH2  18           H1       NH2  18  23.503   2.196  -9.733
  117    HN2  NH2  18           H2       NH2  18  22.716   3.280 -10.775
  Start of MODEL   19
    1    H1   GLY   1           HT1      GLY   1   3.268  -0.608   3.332
    2    H2   GLY   1           HT2      GLY   1   2.847   0.783   4.212
    3    H3   GLY   1           HT3      GLY   1   1.712   0.051   3.181
    4    HA2  GLY   1           HA1      GLY   1   1.435  -0.383   5.642
    5    HA3  GLY   1           HA2      GLY   1   1.429  -1.787   4.575
    6    H    GLU   2           HN       GLU   2   2.512  -3.395   5.617
    7    HA   GLU   2           HA       GLU   2   4.709  -2.805   7.458
    8    HB2  GLU   2           HB2      GLU   2   3.716  -5.472   6.406
    9    HB3  GLU   2           HB1      GLU   2   4.790  -5.234   7.784
   10    HG2  GLU   2           HG2      GLU   2   2.509  -5.572   8.589
   11    HG3  GLU   2           HG1      GLU   2   3.001  -3.908   8.906
   12    H    CGU   3           HN       GLA   3   4.363  -4.331   4.256
   13    HA   CGU   3           HA       GLA   3   7.100  -5.037   3.910
   14    HB2  CGU   3           HB2      GLA   3   4.997  -4.263   1.865
   15    HB3  CGU   3           HB3      GLA   3   5.402  -5.899   2.400
   16    HG   CGU   3           HG       GLA   3   7.214  -3.988   0.892
   17    H    CGU   4           HN       GLA   4   5.353  -2.102   2.833
   18    HA   CGU   4           HA       GLA   4   7.657  -0.790   1.769
   19    HB2  CGU   4           HB2      GLA   4   5.208   0.508   3.000
   20    HB3  CGU   4           HB3      GLA   4   5.275  -0.114   1.350
   21    HG   CGU   4           HG       GLA   4   7.244   1.411   0.945
   22    H    LEU   5           HN       LEU   5   6.412  -1.097   5.030
   23    HA   LEU   5           HA       LEU   5   7.668   1.022   6.350
   24    HB2  LEU   5           HB2      LEU   5   6.237  -1.087   7.190
   25    HB3  LEU   5           HB1      LEU   5   7.850  -1.668   7.623
   26    HG   LEU   5           HG       LEU   5   6.790   1.062   8.398
   27   HD11  LEU   5          HD11      LEU   5   7.142  -1.050  10.448
   28   HD12  LEU   5          HD12      LEU   5   5.775  -1.273   9.356
   29   HD13  LEU   5          HD13      LEU   5   5.904   0.198  10.320
   30   HD21  LEU   5          HD21      LEU   5   8.702   0.530  10.177
   31   HD22  LEU   5          HD22      LEU   5   9.095   1.214   8.599
   32   HD23  LEU   5          HD23      LEU   5   9.288  -0.516   8.885
   33    H    ALA   6           HN       ALA   6   9.085  -2.059   5.280
   34    HA   ALA   6           HA       ALA   6  11.690  -1.392   6.448
   35    HB1  ALA   6           HB1      ALA   6  10.964  -3.747   6.255
   36    HB2  ALA   6           HB2      ALA   6  12.446  -3.470   5.339
   37    HB3  ALA   6           HB3      ALA   6  10.900  -3.588   4.499
   38    H    CGU   7           HN       GLA   7  10.275  -1.501   3.148
   39    HA   CGU   7           HA       GLA   7  12.532  -0.920   1.608
   40    HB2  CGU   7           HB2      GLA   7  11.020   0.296   0.069
   41    HB3  CGU   7           HB3      GLA   7   9.786   0.355   1.331
   42    HG   CGU   7           HG       GLA   7   9.698  -2.107   1.367
   43    H    ASN   8           HN       ASN   8  10.811   1.070   3.854
   44    HA   ASN   8           HA       ASN   8  11.520   3.674   3.362
   45    HB2  ASN   8           HB2      ASN   8  10.449   2.423   5.462
   46    HB3  ASN   8           HB1      ASN   8  12.086   2.579   6.090
   47   HD21  ASN   8          HD21      ASN   8  11.838   4.256   7.587
   48   HD22  ASN   8          HD22      ASN   8  11.272   5.816   7.187
   49    H    GLN   9           HN       GLN   9  13.623   1.206   4.882
   50    HA   GLN   9           HA       GLN   9  15.904   3.040   4.911
   51    HB2  GLN   9           HB2      GLN   9  16.068   1.563   6.692
   52    HB3  GLN   9           HB1      GLN   9  15.379   0.222   5.779
   53    HG2  GLN   9           HG2      GLN   9  17.832  -0.040   6.237
   54    HG3  GLN   9           HG1      GLN   9  17.435  -0.050   4.519
   55   HE21  GLN   9          HE21      GLN   9  17.184   3.045   6.071
   56   HE22  GLN   9          HE22      GLN   9  18.643   3.697   5.473
   57    H    CGU  10           HN       GLA  10  14.937   0.132   3.087
   58    HA   CGU  10           HA       GLA  10  17.211  -0.224   1.513
   59    HB2  CGU  10           HB2      GLA  10  14.359  -0.391   0.508
   60    HB3  CGU  10           HB3      GLA  10  15.158  -1.660   1.435
   61    HG   CGU  10           HG       GLA  10  16.943  -1.726  -0.347
   62    H    PHE  11           HN       PHE  11  14.853   2.305   1.375
   63    HA   PHE  11           HA       PHE  11  15.099   3.409  -1.136
   64    HB2  PHE  11           HB2      PHE  11  13.901   4.293   0.954
   65    HB3  PHE  11           HB1      PHE  11  15.430   5.074   1.354
   66    HD1  PHE  11           HD1      PHE  11  13.243   4.605  -1.669
   67    HD2  PHE  11           HD2      PHE  11  15.680   7.279   0.648
   68    HE1  PHE  11           HE1      PHE  11  12.721   6.446  -3.245
   69    HE2  PHE  11           HE2      PHE  11  15.156   9.121  -0.929
   70    HZ   PHE  11           HZ       PHE  11  13.677   8.705  -2.875
   71    H    ALA  12           HN       ALA  12  17.421   3.853   1.548
   72    HA   ALA  12           HA       ALA  12  19.255   5.512   0.165
   73    HB1  ALA  12           HB1      ALA  12  19.148   4.580   2.682
   74    HB2  ALA  12           HB2      ALA  12  20.638   5.209   1.976
   75    HB3  ALA  12           HB3      ALA  12  20.355   3.469   2.034
   76    H    ARG  13           HN       ARG  13  18.783   2.024   0.028
   77    HA   ARG  13           HA       ARG  13  21.271   1.643  -1.498
   78    HB2  ARG  13           HB2      ARG  13  20.543  -0.132   0.031
   79    HB3  ARG  13           HB1      ARG  13  19.021  -0.286  -0.849
   80    HG2  ARG  13           HG2      ARG  13  20.192  -0.992  -2.858
   81    HG3  ARG  13           HG1      ARG  13  21.755  -0.697  -2.095
   82    HD2  ARG  13           HD2      ARG  13  21.243  -3.089  -2.019
   83    HD3  ARG  13           HD1      ARG  13  21.214  -2.421  -0.382
   84    HE   ARG  13           HE       ARG  13  18.578  -2.239  -1.261
   85   HH11  ARG  13          HH11      ARG  13  20.652  -4.809  -1.953
   86   HH12  ARG  13          HH12      ARG  13  19.663  -6.027  -1.218
   87   HH21  ARG  13          HH21      ARG  13  17.414  -3.758   0.134
   88   HH22  ARG  13          HH22      ARG  13  17.828  -5.431  -0.036
   89    H    CGU  14           HN       GLA  14  17.813   1.988  -2.146
   90    HA   CGU  14           HA       GLA  14  17.550   0.966  -4.687
   91    HB2  CGU  14           HB2      GLA  14  16.320   3.484  -4.722
   92    HB3  CGU  14           HB3      GLA  14  16.321   3.005  -3.039
   93    HG   CGU  14           HG       GLA  14  15.377   0.809  -3.708
   94    H    LEU  15           HN       LEU  15  19.048   4.052  -3.732
   95    HA   LEU  15           HA       LEU  15  19.530   5.131  -6.289
   96    HB2  LEU  15           HB2      LEU  15  21.397   6.342  -5.250
   97    HB3  LEU  15           HB1      LEU  15  20.021   6.304  -4.150
   98    HG   LEU  15           HG       LEU  15  21.166   4.090  -3.274
   99   HD11  LEU  15          HD11      LEU  15  23.765   5.319  -3.616
  100   HD12  LEU  15          HD12      LEU  15  23.056   4.951  -5.187
  101   HD13  LEU  15          HD13      LEU  15  23.258   3.672  -3.992
  102   HD21  LEU  15          HD21      LEU  15  20.789   6.093  -1.914
  103   HD22  LEU  15          HD22      LEU  15  22.180   6.884  -2.657
  104   HD23  LEU  15          HD23      LEU  15  22.415   5.476  -1.621
  105    H    ALA  16           HN       ALA  16  21.111   2.502  -4.594
  106    HA   ALA  16           HA       ALA  16  23.520   2.198  -5.942
  107    HB1  ALA  16           HB1      ALA  16  22.689   0.658  -4.172
  108    HB2  ALA  16           HB2      ALA  16  23.282  -0.220  -5.582
  109    HB3  ALA  16           HB3      ALA  16  21.546  -0.027  -5.329
  110    H    ASN  17           HN       ASN  17  20.318   1.969  -7.251
  111    HA   ASN  17           HA       ASN  17  21.433   1.658  -9.947
  112    HB2  ASN  17           HB2      ASN  17  19.550  -0.420  -8.785
  113    HB3  ASN  17           HB1      ASN  17  20.025  -0.320 -10.482
  114   HD21  ASN  17          HD21      ASN  17  20.817  -1.832  -7.579
  115   HD22  ASN  17          HD22      ASN  17  22.432  -2.251  -7.935
  116    HN1  NH2  18           H1       NH2  18  20.399   3.716 -10.369
  117    HN2  NH2  18           H2       NH2  18  18.711   3.881 -10.434