*HEADER    TOXIN                                   30-DEC-19   6VE9              
*TITLE     SOLUTION NMR STRUCTURE OF ENTEROCOCCAL CYTOLYSIN S (CYLLS") PRODUCED  
*TITLE    2 BY ENTEROCOCCUS FAECALIS                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENTEROCOCCAL CYTOLYSIN S;                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYLLS";                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS;                          
*SOURCE   3 ORGANISM_TAXID: 1351;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PRSFDUET-1                                
*KEYWDS    LANTHIPEPTIDE, CYTOLYSIN, CYCLIC PEPTIDE, POSTTRANSLATIONAL           
*KEYWDS   2 MODIFICATION, TOXIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.C.BOBEICA,W.A.VAN DER DONK,L.ZHU,W.TANG                             
*REVDAT   1   08-JUL-20 6VE9    0                                                
# Restraints file 1: cylls_noe_8.tbl
assign (residue 3 and name HB1) (residue 3 and name HB2) 2.5 0.7 1.0
assign (residue 4 and name HA) (residue 4 and name HB#) 2.5 0.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HB2) 2.5 0.7 1.0
assign (residue 8 and name HG11) (residue 8 and name HD1#) 2.5 0.7 1.0
assign (residue 8 and name HG11) (residue 8 and name HG12) 2.5 0.7 1.0
assign (residue 10 and name HB#) (residue 10 and name HG) 2.5 0.7 1.0
assign (residue 10 and name HG) (residue 10 and name HD#) 2.5 0.7 1.0
assign (residue 10 and name HN) (residue 10 and name HA) 2.5 0.7 1.0
assign (residue 12 and name HA) (residue 12 and name HG1#) 2.5 0.7 1.0
assign (residue 12 and name HB) (residue 12 and name HG1#) 2.5 0.7 1.0
assign (residue 12 and name HB) (residue 12 and name HG2#) 2.5 0.7 1.0
assign (residue 14 and name HA) (residue 14 and name HB#) 2.5 0.7 1.0
assign (residue 14 and name HA) (residue 17 and name HA) 5.0 3.2 1.0 
assign (residue 14 and name HA) (residue 13 and name HA2) 5.0 3.2 1.0 
assign (residue 14 and name HN) (residue 14 and name HB#) 2.5 0.7 1.0
assign (residue 15 and name HB1) (residue 15 and name HG) 2.5 0.7 1.0
assign (residue 15 and name HN) (residue 15 and name HA) 2.5 0.7 1.0
assign (residue 16 and name HD#) (residue 16 and name HE#) 2.5 0.7 1.0
assign (residue 16 and name HE#) (residue 16 and name HZ) 2.5 0.7 1.0
assign (residue 18 and name HA) (residue 18 and name HB#) 2.5 0.7 1.0
assign (residue 18 and name HN) (residue 18 and name HB#) 2.5 0.7 1.0
assign (residue 1 and name HB2) (residue 1 and name HG#) 3.5 1.7 1.0
assign (residue 2 and name HB) (residue 2 and name HG#) 3.5 1.7 1.0
assign (residue 2 and name HB) (residue 3 and name HD1) 3.5 1.7 1.0
assign (residue 2 and name HB) (residue 3 and name HD2) 3.5 1.7 1.0
assign (residue 3 and name HA) (residue 3 and name HB1) 3.5 1.7 1.0
assign (residue 3 and name HA) (residue 3 and name HB2) 3.5 1.7 1.0
assign (residue 3 and name HB1) (residue 3 and name HG2) 3.5 1.7 1.0
assign (residue 3 and name HD1) (residue 2 and name HG#) 3.5 1.7 1.0
assign (residue 3 and name HD1) (residue 3 and name HB1) 3.5 1.7 1.0
assign (residue 3 and name HD1) (residue 3 and name HB2) 3.5 1.7 1.0
assign (residue 3 and name HD1) (residue 3 and name HG2) 3.5 1.7 1.0
assign (residue 3 and name HD2) (residue 2 and name HG#) 3.5 1.7 1.0
assign (residue 3 and name HD2) (residue 3 and name HB1) 3.5 1.7 1.0
assign (residue 3 and name HD2) (residue 3 and name HB2) 3.5 1.7 1.0
assign (residue 3 and name HD2) (residue 3 and name HG2) 3.5 1.7 1.0
assign (residue 4 and name HA) (residue 3 and name HB2) 6.0 4.2 1.0 
assign (residue 5 and name HN) (residue 4 and name HB#) 3.5 1.7 1.0
assign (residue 5 and name HN) (residue 5 and name HB1) 2.5 0.7 1.0 
assign (residue 6 and name HA) (residue 6 and name HB2) 3.5 1.7 1.0
assign (residue 6 and name HN) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HN) (residue 6 and name HA) 3.5 1.7 1.0
assign (residue 6 and name HN) (residue 6 and name HB2) 3.5 1.7 1.0
assign (residue 6 and name HN) (residue 6 and name HB1) 3.5 1.7 1.0 
assign (residue 7 and name HB) (residue 7 and name HG#) 3.5 1.7 1.0
assign (residue 7 and name HN) (residue 6 and name HA) 3.5 1.7 1.0
assign (residue 7 and name HN) (residue 7 and name HG#) 3.5 1.7 1.0
assign (residue 7 and name HN) (residue 8 and name HN) 3.5 1.7 1.0
assign (residue 8 and name HA) (residue 8 and name HB) 3.5 1.7 1.0
assign (residue 8 and name HA) (residue 8 and name HD1#) 3.5 1.7 1.0
assign (residue 8 and name HA) (residue 8 and name HG11) 3.5 1.7 1.0
assign (residue 8 and name HA) (residue 8 and name HG12) 3.5 1.7 1.0
assign (residue 8 and name HB) (residue 8 and name HD1#) 3.5 1.7 1.0
assign (residue 8 and name HB) (residue 8 and name HG11) 4.0 2.2 1.0 
assign (residue 8 and name HB) (residue 8 and name HG12) 3.5 1.7 1.0 
assign (residue 8 and name HN) (residue 8 and name HA) 3.5 1.7 1.0
assign (residue 8 and name HN) (residue 8 and name HB) 3.5 1.7 1.0
assign (residue 8 and name HN) (residue 8 and name HD1#) 5.0 3.2 1.0 
assign (residue 8 and name HN) (residue 8 and name HG2#) 5.0 3.2 1.0 
assign (residue 8 and name HN) (residue 8 and name HG11) 3.5 1.7 1.0
assign (residue 8 and name HN) (residue 8 and name HG12) 4.0 1.7 1.0
assign (residue 9 and name HN) (residue 9 and name HA1) 3.5 1.7 1.0
assign (residue 10 and name HA) (residue 10 and name HB#) 3.5 1.7 1.0
assign (residue 10 and name HA) (residue 10 and name HD#) 3.5 1.7 1.0
assign (residue 10 and name HA) (residue 10 and name HG) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 14 and name HB#) 5.0 3.2 1.0 
assign (residue 10 and name HB#) (residue 10 and name HD#) 3.5 1.7 1.0
assign (residue 10 and name HG) (residue 10 and name HD#) 3.5 1.7 1.0
assign (residue 15 and name HN) (residue 14 and name HB#) 5.0 3.2 1.0 
assign (residue 10 and name HN) (residue 10 and name HB#) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 10 and name HD#) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 10 and name HG) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 10 and name HG) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 10 and name HA) 3.5 1.7 1.0
assign (residue 11 and name HA1) (residue 14 and name HB#) 3.5 1.7 1.0
assign (residue 11 and name HA2) (residue 14 and name HB#) 3.5 1.7 1.0
assign (residue 11 and name HN) (residue 10 and name HN) 2.5 0.7 1.0
assign (residue 11 and name HN) (residue 11 and name HA1) 3.5 1.7 1.0
assign (residue 11 and name HN) (residue 11 and name HA2) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 12 and name HB) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 12 and name HG2#) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 15 and name HB1) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 15 and name HD1#) 3.5 1.7 1.0
assign (residue 12 and name HA) (residue 15 and name HG) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 11 and name HA1) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 11 and name HA2) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 11 and name HN) 2.5 0.7 1.0
assign (residue 12 and name HN) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 12 and name HB) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 12 and name HG1#) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 12 and name HG2#) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 12 and name HA) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 12 and name HB) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 12 and name HG2#) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 12 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 13 and name HA1) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 13 and name HA2) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 14 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HN) (residue 16 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HN) (residue 13 and name HA1) 3.5 1.7 1.0
assign (residue 14 and name HN) (residue 13 and name HA2) 3.5 1.7 1.0
assign (residue 14 and name HN) (residue 11 and name HA1) 5.0 3.2 1.0 
assign (residue 14 and name HN) (residue 11 and name HA2) 5.0 3.2 1.0 
assign (residue 14 and name HN) (residue 12 and name HA) 5.0 3.2 1.0 
assign (residue 14 and name HN) (residue 14 and name HA) 3.5 1.7 1.0
assign (residue 14 and name HN) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 15 and name HB1) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 15 and name HB2) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 15 and name HD1#) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 15 and name HD2#) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 15 and name HG) 3.5 1.7 1.0
assign (residue 15 and name HA) (residue 19 and name HD#) 3.5 1.7 1.0
assign (residue 15 and name HB1) (residue 15 and name HD2#) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 11 and name HA1) 5.0 3.2 1.0 
assign (residue 10 and name HN) (residue 11 and name HA2) 6.0 4.2 1.0 
assign (residue 15 and name HN) (residue 12 and name HA) 5.0 3.2 1.0
assign (residue 15 and name HN) (residue 14 and name HA) 3.5 1.7 1.0
assign (residue 15 and name HN) (residue 15 and name HB1) 3.5 1.7 1.0
assign (residue 15 and name HN) (residue 15 and name HB2) 3.5 1.7 1.0
assign (residue 15 and name HN) (residue 15 and name HD2#) 3.5 1.7 1.0
assign (residue 15 and name HN) (residue 15 and name HG) 3.5 1.7 1.0
assign (residue 16 and name HD#) (residue 16 and name HA) 3.5 1.7 1.0
assign (residue 16 and name HD#) (residue 16 and name HB1) 3.5 1.7 1.0
assign (residue 16 and name HD#) (residue 16 and name HB2) 3.5 1.7 1.0
assign (residue 16 and name HD#) (residue 16 and name HZ) 3.5 1.7 1.0
assign (residue 16 and name HD#) (residue 17 and name HB#) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 15 and name HG) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 16 and name HA) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 16 and name HB1) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 16 and name HB2) 3.5 1.7 1.0
assign (residue 17 and name HA) (residue 17 and name HB#) 3.5 1.7 1.0
assign (residue 17 and name HN) (residue 16 and name HB1) 3.5 1.7 1.0
assign (residue 17 and name HN) (residue 16 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HN) (residue 17 and name HA) 3.5 1.7 1.0
assign (residue 18 and name HN) (residue 15 and name HA) 3.5 1.7 1.0
assign (residue 16 and name HN) (residue 15 and name HB1) 3.5 1.7 1.0 
assign (residue 18 and name HN) (residue 17 and name HA) 3.5 1.7 1.0
assign (residue 18 and name HN) (residue 18 and name HA) 3.5 1.7 1.0
assign (residue 18 and name HN) (residue 19 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HA) (residue 19 and name HB#) 3.5 1.7 1.0
assign (residue 19 and name HA) (residue 19 and name HG2) 3.5 1.7 1.0
assign (residue 19 and name HE#) (residue 19 and name HD#) 3.5 1.7 1.0
assign (residue 19 and name HN) (residue 18 and name HB#) 3.5 1.7 1.0
assign (residue 19 and name HN) (residue 19 and name HA) 3.5 1.7 1.0
assign (residue 20 and name HA) (residue 20 and name HB1) 3.5 1.7 1.0
assign (residue 20 and name HN) (residue 19 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HN) (residue 20 and name HA) 3.5 1.7 1.0
assign (residue 21 and name HA) (residue 21 and name HB2) 3.5 1.7 1.0
assign (residue 21 and name HN) (residue 20 and name HN) 3.5 1.7 1.0
assign (residue 21 and name HN) (residue 21 and name HB1) 3.5 1.7 1.0
assign (residue 21 and name HN) (residue 21 and name HB2) 3.5 1.7 1.0
assign (residue 1 and name HB2) (residue 4 and name HB#) 5.0 3.2 1.0
assign (residue 1 and name HB2) (residue 5 and name HB2) 5.0 3.2 1.0
assign (residue 2 and name HB) (residue 3 and name HB2) 5.5 3.7 1.0 
assign (residue 3 and name HA) (residue 2 and name HG#) 6.0 4.2 1.0
assign (residue 3 and name HA) (residue 3 and name HD1) 5.0 3.2 1.0
assign (residue 3 and name HA) (residue 3 and name HD2) 5.0 3.2 1.0
assign (residue 3 and name HA) (residue 3 and name HG2) 5.0 3.2 1.0
assign (residue 3 and name HA) (residue 4 and name HB#) 6.0 4.2 1.0
assign (residue 3 and name HA) (residue 7 and name HG#) 6.0 4.2 1.0
assign (residue 3 and name HB2) (residue 4 and name HB#) 5.0 3.2 1.0
assign (residue 3 and name HD2) (residue 4 and name HB#) 5.0 3.2 1.0 
assign (residue 4 and name HN) (residue 4 and name HA) 5.0 3.2 1.0
assign (residue 4 and name HN) (residue 4 and name HB#) 5.0 3.2 1.0
assign (residue 4 and name HN) (residue 5 and name HN) 5.0 3.2 1.0
assign (residue 4 and name HN) (residue 3 and name HB2) 5.0 3.2 1.0 
assign (residue 5 and name HA) (residue 5 and name HB2) 5.0 3.2 1.0
assign (residue 5 and name HB1) (residue 1 and name HG#) 5.0 3.2 1.0
assign (residue 5 and name HB2) (residue 1 and name HG#) 5.0 3.2 1.0
assign (residue 5 and name HN) (residue 3 and name HA) 5.0 3.2 1.0
assign (residue 5 and name HN) (residue 4 and name HA) 5.0 3.2 1.0
assign (residue 5 and name HN) (residue 5 and name HA) 5.0 3.2 1.0
assign (residue 5 and name HN) (residue 5 and name HB2) 3.5 1.7 1.0 
assign (residue 5 and name HN) (residue 1 and name HG#) 5.0 3.2 1.0 
assign (residue 5 and name HN) (residue 1 and name HB2) 3.5 1.7 1.0 
assign (residue 6 and name HA) (residue 5 and name HB2) 6.0 4.2 1.0
assign (residue 6 and name HA) (residue 6 and name HB1) 5.0 3.2 1.0
assign (residue 6 and name HD#) (residue 14 and name HB#) 3.5 1.7 1.0
assign (residue 6 and name HE#) (residue 12 and name HG2#) 3.5 1.7 1.0
assign (residue 6 and name HE#) (residue 10 and name HD1#) 4.0 2.2 1.0 
assign (residue 7 and name HB) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 7 and name HB) (residue 10 and name HG) 5.0 3.2 1.0
assign (residue 7 and name HN) (residue 4 and name HA) 5.0 3.2 1.0
assign (residue 7 and name HN) (residue 6 and name HN) 3.5 1.7 1.0
assign (residue 7 and name HN) (residue 7 and name HB) 5.0 3.2 1.0
assign (residue 8 and name HA) (residue 12 and name HG1#) 5.0 3.2 1.0
assign (residue 8 and name HN) (residue 8 and name HG2#) 5.0 3.2 1.0 
assign (residue 9 and name HA1) (residue 12 and name HB) 5.0 3.2 1.0
assign (residue 9 and name HN) (residue 7 and name HB) 5.0 3.2 1.0
assign (residue 9 and name HN) (residue 8 and name HN) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 8 and name HB) 5.0 3.2 1.0
assign (residue 11 and name HA1) (residue 10 and name HB#) 6.0 4.2 1.0
assign (residue 11 and name HA1) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 11 and name HA1) (residue 12 and name HB) 5.0 3.2 1.0
assign (residue 11 and name HA2) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 11 and name HN) (residue 10 and name HA) 5.0 3.2 1.0
assign (residue 11 and name HN) (residue 10 and name HB#) 5.0 3.2 1.0
assign (residue 11 and name HN) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 11 and name HN) (residue 10 and name HG) 5.0 3.2 1.0
assign (residue 12 and name HA) (residue 10 and name HD#) 5.0 3.2 1.0 
assign (residue 12 and name HB) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 12 and name HA) (residue 14 and name HB#) 5.0 3.2 1.0
assign (residue 12 and name HA) (residue 15 and name HB2) 5.0 3.2 1.0
assign (residue 12 and name HA) (residue 15 and name HD2#) 5.0 3.2 1.0
assign (residue 12 and name HN) (residue 10 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HA2) (residue 12 and name HB) 5.0 3.2 1.0
assign (residue 13 and name HA2) (residue 12 and name HG2#) 5.0 3.2 1.0
assign (residue 13 and name HN) (residue 10 and name HD#) 5.0 3.2 1.0
assign (residue 13 and name HN) (residue 12 and name HG1#) 5.0 3.2 1.0
assign (residue 13 and name HN) (residue 14 and name HA) 5.0 3.2 1.0
assign (residue 14 and name HN) (residue 15 and name HA) 5.0 3.2 1.0
assign (residue 15 and name HA) (residue 12 and name HA) 5.0 3.2 1.0
assign (residue 15 and name HB1) (residue 15 and name HD1#) 5.0 3.2 1.0
assign (residue 15 and name HN) (residue 6 and name HE#) 3.5 1.7 1.0 
assign (residue 15 and name HN) (residue 6 and name HD#) 3.5 1.7 1.0 
assign (residue 15 and name HN) (residue 11 and name HA2) 5.0 3.2 1.0
assign (residue 10 and name HN) (residue 12 and name HG1#) 5.0 3.2 1.0 
assign (residue 15 and name HN) (residue 15 and name HD1#) 5.0 3.2 1.0
assign (residue 15 and name HN) (residue 16 and name HB2) 5.0 3.2 1.0
assign (residue 15 and name HN) (residue 16 and name HB1) 6.0 4.2 1.0 
assign (residue 16 and name HA) (residue 19 and name HB#) 4.5 2.7 1.0 
assign (residue 16 and name HA) (residue 19 and name HD#) 4.5 2.7 1.0 
assign (residue 16 and name HB1) (residue 12 and name HG2#) 5.0 3.2 1.0
assign (residue 16 and name HB1) (residue 15 and name HD1#) 5.0 3.2 1.0
assign (residue 16 and name HB2) (residue 12 and name HG2#) 6.0 4.2 1.0
assign (residue 16 and name HB2) (residue 15 and name HG) 5.0 3.2 1.0
assign (residue 16 and name HD#) (residue 14 and name HB#) 6.0 4.2 1.0
assign (residue 16 and name HD#) (residue 12 and name HG2#) 5.0 3.2 1.0
assign (residue 16 and name HN) (residue 15 and name HB2) 6.0 4.2 1.0 
assign (residue 16 and name HN) (residue 15 and name HD2#) 5.0 3.2 1.0
assign (residue 16 and name HN) (residue 16 and name HD#) 5.0 3.2 1.0
assign (residue 17 and name HN) (residue 14 and name HA) 3.5 1.7 1.0
assign (residue 17 and name HN) (residue 16 and name HA) 5.0 3.2 1.0
assign (residue 17 and name HN) (residue 16 and name HB2) 5.0 3.2 1.0
assign (residue 17 and name HN) (residue 16 and name HD#) 5.0 3.2 1.0
assign (residue 17 and name HN) (residue 17 and name HB#) 5.0 3.2 1.0
assign (residue 18 and name HN) (residue 14 and name HB#) 5.0 3.2 1.0 
assign (residue 18 and name HN) (residue 15 and name HB2) 6.0 4.2 1.0 
assign (residue 18 and name HN) (residue 17 and name HB#) 5.0 3.2 1.0
assign (residue 18 and name HN) (residue 15 and name HD1#) 5.0 3.2 1.0 
assign (residue 19 and name HE#) (residue 15 and name HD2#) 4.5 2.7 1.0
assign (residue 19 and name HN) (residue 16 and name HA) 5.0 3.2 1.0
assign (residue 19 and name HN) (residue 18 and name HA) 5.0 3.2 1.0
assign (residue 19 and name HZ#) (residue 20 and name HD#) 4.5 2.7 1.0 
assign (residue 19 and name HZ#) (residue 20 and name HE#) 3.5 1.7 1.0 
assign (residue 20 and name HA) (residue 20 and name HB2) 5.0 3.2 1.0
assign (residue 20 and name HD#) (residue 19 and name HB#) 4.5 2.7 1.0 
assign (residue 20 and name HD#) (residue 19 and name HG1) 3.5 1.7 1.0 
assign (residue 20 and name HD#) (residue 19 and name HG2) 3.5 1.7 1.0 
assign (residue 20 and name HE#) (residue 19 and name HB#) 3.5 1.7 1.0 
assign (residue 20 and name HE#) (residue 19 and name HD#) 3.5 1.7 1.0 
assign (residue 20 and name HE#) (residue 19 and name HE#) 3.5 1.7 1.0 
assign (residue 20 and name HE#) (residue 19 and name HG1) 2.5 0.7 0.8 
assign (residue 20 and name HE#) (residue 19 and name HG2) 2.5 0.7 0.8 
assign (residue 21 and name HA) (residue 21 and name HB1) 5.0 3.2 1.0
assign (residue 21 and name HN) (residue 17 and name HA) 5.5 3.7 1.0 
assign (residue 21 and name HN) (residue 19 and name HN) 5.0 3.2 1.0
assign (residue 21 and name HN) (residue 20 and name HA) 5.0 3.2 1.0
assign (residue 21 and name HN) (residue 21 and name HA) 5.0 3.2 1.0 
assign (residue 6 and name HA) (residue 15 and name HD1#) 3.5 1.7 1.0  
assign (residue 10 and name HA) (residue 13 and name HA2) 5.0 3.2 1.0 
assign (residue 6 and name HB1) (residue 7 and name HG#) 4.0 2.2 1.0 
assign (residue 16 and name HB1) (residue 15 and name HB1) 5.0 3.2 1.0 
assign (residue 16 and name HB1) (residue 15 and name HG) 5.0 3.2 1.0 
assign (residue 1 and name HB2) (residue 4 and name HB#) 4.5 2.7 1.0 
assign (residue 21 and name HB1) (residue 12 and name HG1#) 5.0 3.2 1.0 
assign (residue 5 and name HB1) (residue 14 and name HB#) 5.0 3.2 1.0 
assign (residue 4 and name HB#) (residue 1 and name HB2) 4.5 2.7 1.0 
assign (residue 14 and name HB#) (residue 18 and name HB#) 5.0 3.2 1.0 
assign (residue 11 and name HN) (residue 12 and name HA) 6.0 4.2 1.0 
assign (residue 12 and name HB) (residue 11 and name HN) 6.0 4.2 1.0 
assign (residue 12 and name HG1#) (reside 11 and name HN) 6.0 4.2 1.0 
assign (residue 14 and name HB#) (residue 11 and name HN) 6.0 4.2 1.0 
assign (residue 14 and name HN) (residue 15 and name HB1) 5.0 3.2 1.0 
assign (residue 15 and name HN) (residue 12 and name HB) 5.0 3.2 1.0 
assign (residue 5 and name HB1) (residue 14 and name HB#) 5.0 3.2 1.0 
assign (residue 11 and name HN) (residue 14 and name HB#) 6.0 4.2 1.0 
assign (residue 14 and name HN) (residue 15 and name HB1) 5.0 3.2 1.0 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ABA   1           HT1      ABU   1   4.950  -5.521  -2.126
    2    H2   ABA   1           HT2      ABU   1   4.918  -5.361  -0.435
    3    H3   ABA   1           HT3      ABU   1   6.083  -4.528  -1.349
    4    HA   ABA   1           HA       ABU   1   3.235  -4.046  -1.882
    5    HB2  ABA   1           HB2      ABU   1   3.987  -2.030  -0.137
    6    HG1  ABA   1           HG1      ABU   1   1.895  -3.714  -0.466
    7    HG3  ABA   1           HG3      ABU   1   2.574  -4.369   1.025
    8    HG2  ABA   1           HG2      ABU   1   2.081  -2.677   0.948
    9    H    DBU   2           HN       DHB   2   5.295  -4.062  -3.720
   10    HB   DBU   2           HB       DHB   2   6.541  -1.579  -6.381
   11    HG1  DBU   2           HG1      DHB   2   4.594  -3.874  -6.197
   12    HG2  DBU   2           HG2      DHB   2   6.245  -4.316  -6.635
   13    HG3  DBU   2           HG3      DHB   2   5.333  -3.198  -7.650
   14    HA   PRO   3           HA       PRO   3   7.725   1.439  -3.540
   15    HB2  PRO   3           HB2      PRO   3   5.780   3.363  -3.912
   16    HB3  PRO   3           HB1      PRO   3   6.893   2.815  -5.182
   17    HG2  PRO   3           HG2      PRO   3   4.063   2.036  -4.678
   18    HG3  PRO   3           HG1      PRO   3   4.899   2.323  -6.214
   19    HD2  PRO   3           HD2      PRO   3   4.399  -0.183  -5.287
   20    HD3  PRO   3           HD1      PRO   3   5.843   0.198  -6.253
   21    H    ALA   4           HN       ALA   4   4.484   0.520  -2.574
   22    HA   ALA   4           HA       ALA   4   4.349   2.179  -0.249
   23    HB1  ALA   4           HB1      ALA   4   2.826  -0.352  -0.237
   24    HB2  ALA   4           HB2      ALA   4   2.524   0.695  -1.623
   25    HB3  ALA   4           HB3      ALA   4   2.267   1.302   0.013
   26    H    CYS   5           HN       CYS   5   5.937  -0.748  -1.035
   27    HA   CYS   5           HA       CYS   5   6.353  -1.424   1.802
   28    HB2  CYS   5           HB2      CYS   5   6.483  -2.963  -0.759
   29    HB3  CYS   5           HB1      CYS   5   7.492  -3.482   0.592
   30    H    PHE   6           HN       PHE   6   7.646   0.851   0.436
   31    HA   PHE   6           HA       PHE   6  10.275   0.272  -0.345
   32    HB2  PHE   6           HB2      PHE   6   9.646   2.460  -0.815
   33    HB3  PHE   6           HB1      PHE   6   8.923   2.704   0.774
   34    HD1  PHE   6           HD1      PHE   6  12.241   1.160   0.188
   35    HD2  PHE   6           HD2      PHE   6  10.122   4.695   1.394
   36    HE1  PHE   6           HE1      PHE   6  14.359   2.143   1.017
   37    HE2  PHE   6           HE2      PHE   6  12.241   5.684   2.219
   38    HZ   PHE   6           HZ       PHE   6  14.361   4.408   2.030
   39    H    DBU   7           HN       DHB   7   8.988   1.134   2.880
   40    HB   DBU   7           HB       DHB   7  11.096  -0.796   5.767
   41    HG1  DBU   7           HG1      DHB   7   9.536  -1.811   3.310
   42    HG2  DBU   7           HG2      DHB   7   9.325  -2.454   4.941
   43    HG3  DBU   7           HG3      DHB   7  10.836  -2.730   4.072
   44    H    ILE   8           HN       ILE   8   9.629   1.751   6.131
   45    HA   ILE   8           HA       ILE   8  10.930   4.231   5.746
   46    HB   ILE   8           HB       ILE   8   9.699   2.977   8.206
   47   HG12  ILE   8          HG12      ILE   8   8.687   5.230   6.453
   48   HG13  ILE   8          HG11      ILE   8   8.280   3.538   6.150
   49   HG21  ILE   8          HG21      ILE   8   9.634   5.511   8.863
   50   HG22  ILE   8          HG22      ILE   8  10.973   5.661   7.723
   51   HG23  ILE   8          HG23      ILE   8  11.121   4.601   9.125
   52   HD11  ILE   8          HD11      ILE   8   7.893   4.639   8.910
   53   HD12  ILE   8          HD12      ILE   8   7.010   3.355   8.085
   54   HD13  ILE   8          HD13      ILE   8   6.712   5.041   7.664
   55    H    GLY   9           HN       GLY   9  11.731   1.443   7.808
   56    HA2  GLY   9           HA2      GLY   9  14.288   2.732   8.505
   57    HA3  GLY   9           HA1      GLY   9  13.572   1.360   9.339
   58    H    LEU  10           HN       LEU  10  13.318  -0.650   7.953
   59    HA   LEU  10           HA       LEU  10  15.847  -1.460   6.987
   60    HB2  LEU  10           HB2      LEU  10  14.916  -3.548   6.805
   61    HB3  LEU  10           HB1      LEU  10  13.711  -2.808   7.856
   62    HG   LEU  10           HG       LEU  10  12.507  -2.118   5.676
   63   HD11  LEU  10          HD11      LEU  10  14.785  -3.613   4.643
   64   HD12  LEU  10          HD12      LEU  10  13.626  -2.603   3.776
   65   HD13  LEU  10          HD13      LEU  10  13.255  -4.299   4.098
   66   HD21  LEU  10          HD21      LEU  10  11.191  -3.746   6.515
   67   HD22  LEU  10          HD22      LEU  10  12.586  -4.610   7.163
   68   HD23  LEU  10          HD23      LEU  10  12.073  -4.885   5.498
   69    H    GLY  11           HN       GLY  11  12.902  -0.400   5.358
   70    HA2  GLY  11           HA2      GLY  11  13.183  -0.987   2.772
   71    HA3  GLY  11           HA1      GLY  11  12.754   0.644   3.275
   72    H    VAL  12           HN       VAL  12  15.248   1.300   4.508
   73    HA   VAL  12           HA       VAL  12  16.663   2.315   2.288
   74    HB   VAL  12           HB       VAL  12  16.745   3.305   4.561
   75   HG11  VAL  12          HG11      VAL  12  18.726   1.218   5.386
   76   HG12  VAL  12          HG12      VAL  12  17.007   0.849   5.528
   77   HG13  VAL  12          HG13      VAL  12  17.684   2.234   6.385
   78   HG21  VAL  12          HG21      VAL  12  18.540   3.812   2.942
   79   HG22  VAL  12          HG22      VAL  12  19.441   2.399   3.492
   80   HG23  VAL  12          HG23      VAL  12  19.179   3.759   4.584
   81    H    GLY  13           HN       GLY  13  17.259  -0.515   4.364
   82    HA2  GLY  13           HA2      GLY  13  19.723  -1.266   3.184
   83    HA3  GLY  13           HA1      GLY  13  18.657  -2.326   4.101
   84    H    ALA  14           HN       ALA  14  16.366  -2.297   2.556
   85    HA   ALA  14           HA       ALA  14  17.057  -4.121   0.476
   86    HB1  ALA  14           HB1      ALA  14  14.427  -2.694   0.952
   87    HB2  ALA  14           HB2      ALA  14  14.908  -4.210   1.715
   88    HB3  ALA  14           HB3      ALA  14  14.671  -4.138  -0.030
   89    H    LEU  15           HN       LEU  15  16.096  -0.728   0.556
   90    HA   LEU  15           HA       LEU  15  16.203  -0.468  -2.341
   91    HB2  LEU  15           HB2      LEU  15  14.536   0.901  -1.533
   92    HB3  LEU  15           HB1      LEU  15  15.401   1.259  -0.044
   93    HG   LEU  15           HG       LEU  15  16.813   2.230  -2.408
   94   HD11  LEU  15          HD11      LEU  15  13.932   2.855  -2.010
   95   HD12  LEU  15          HD12      LEU  15  14.882   2.841  -3.496
   96   HD13  LEU  15          HD13      LEU  15  14.999   4.208  -2.388
   97   HD21  LEU  15          HD21      LEU  15  16.127   4.349  -0.746
   98   HD22  LEU  15          HD22      LEU  15  17.607   3.393  -0.643
   99   HD23  LEU  15          HD23      LEU  15  16.212   2.968   0.349
  100    H    PHE  16           HN       PHE  16  17.709   1.414   0.273
  101    HA   PHE  16           HA       PHE  16  19.857   2.291  -1.409
  102    HB2  PHE  16           HB2      PHE  16  19.199   3.787   0.309
  103    HB3  PHE  16           HB1      PHE  16  19.295   2.529   1.543
  104    HD1  PHE  16           HD1      PHE  16  21.335   4.553  -0.831
  105    HD2  PHE  16           HD2      PHE  16  21.331   2.030   2.644
  106    HE1  PHE  16           HE1      PHE  16  23.713   5.124  -0.416
  107    HE2  PHE  16           HE2      PHE  16  23.710   2.602   3.062
  108    HZ   PHE  16           HZ       PHE  16  24.900   4.150   1.531
  109    H    DAL  17           HN       DAL  17  19.420  -0.313   0.908
  110    HA   DAL  17           HA       DAL  17  20.879  -1.915   1.700
  111    HB1  DAL  17           HB2      DAL  17  23.080  -0.259   0.471
  112    HB2  DAL  17           HB3      DAL  17  22.447  -0.005   2.092
  113    H    ALA  18           HN       ALA  18  19.793  -1.516  -1.171
  114    HA   ALA  18           HA       ALA  18  20.659  -4.020  -2.181
  115    HB1  ALA  18           HB1      ALA  18  18.611  -3.642  -3.047
  116    HB2  ALA  18           HB2      ALA  18  19.493  -2.812  -4.329
  117    HB3  ALA  18           HB3      ALA  18  18.805  -1.888  -2.993
  118    H    LYS  19           HN       LYS  19  21.531  -0.679  -3.110
  119    HA   LYS  19           HA       LYS  19  23.476  -1.814  -5.018
  120    HB2  LYS  19           HB2      LYS  19  23.642   0.687  -5.709
  121    HB3  LYS  19           HB1      LYS  19  22.204  -0.217  -6.183
  122    HG2  LYS  19           HG2      LYS  19  22.007   1.025  -3.519
  123    HG3  LYS  19           HG1      LYS  19  22.170   2.182  -4.839
  124    HD2  LYS  19           HD2      LYS  19  20.298   1.032  -6.030
  125    HD3  LYS  19           HD1      LYS  19  20.095  -0.022  -4.629
  126    HE2  LYS  19           HE2      LYS  19  19.630   1.922  -3.206
  127    HE3  LYS  19           HE1      LYS  19  19.886   3.004  -4.573
  128    HZ1  LYS  19           HZ1      LYS  19  17.522   2.496  -4.125
  129    HZ2  LYS  19           HZ2      LYS  19  17.826   0.868  -4.502
  130    HZ3  LYS  19           HZ3      LYS  19  18.015   2.067  -5.690
  131    H    PHE  20           HN       PHE  20  23.061   0.222  -2.250
  132    HA   PHE  20           HA       PHE  20  25.944   0.674  -1.986
  133    HB2  PHE  20           HB2      PHE  20  23.593   1.828  -0.472
  134    HB3  PHE  20           HB1      PHE  20  25.280   2.251  -0.198
  135    HD1  PHE  20           HD1      PHE  20  22.407   2.578  -2.465
  136    HD2  PHE  20           HD2      PHE  20  26.566   3.490  -1.891
  137    HE1  PHE  20           HE1      PHE  20  22.299   4.237  -4.306
  138    HE2  PHE  20           HE2      PHE  20  26.456   5.149  -3.731
  139    HZ   PHE  20           HZ       PHE  20  24.323   5.523  -4.939
  140    H    CYS  21           HN       CYS  21  26.503   0.710   0.506
  141    HA   CYS  21           HA       CYS  21  27.060  -0.608   2.305
  142    HB2  CYS  21           HB2      CYS  21  25.248  -1.357   3.627
  143    HB3  CYS  21           HB1      CYS  21  24.596   0.020   2.744
  Start of MODEL    2
    1    H1   ABA   1           HT1      ABU   1   4.529  -5.856  -2.868
    2    H2   ABA   1           HT2      ABU   1   5.876  -5.125  -3.602
    3    H3   ABA   1           HT3      ABU   1   4.460  -5.398  -4.500
    4    HA   ABA   1           HA       ABU   1   3.293  -3.710  -3.465
    5    HB2  ABA   1           HB2      ABU   1   4.591  -2.614  -1.398
    6    HG1  ABA   1           HG1      ABU   1   2.488  -3.301  -0.804
    7    HG3  ABA   1           HG3      ABU   1   2.642  -4.839  -1.653
    8    HG2  ABA   1           HG2      ABU   1   3.371  -4.635  -0.060
    9    H    DBU   2           HN       DHB   2   4.183  -1.286  -2.841
   10    HB   DBU   2           HB       DHB   2   6.329   0.817  -5.673
   11    HG1  DBU   2           HG1      DHB   2   5.034  -1.875  -6.265
   12    HG2  DBU   2           HG2      DHB   2   5.892  -0.830  -7.398
   13    HG3  DBU   2           HG3      DHB   2   4.255  -0.419  -6.885
   14    HA   PRO   3           HA       PRO   3   7.080   2.831  -1.856
   15    HB2  PRO   3           HB2      PRO   3   4.885   4.085  -0.741
   16    HB3  PRO   3           HB1      PRO   3   5.594   4.510  -2.311
   17    HG2  PRO   3           HG2      PRO   3   3.193   2.868  -1.698
   18    HG3  PRO   3           HG1      PRO   3   3.475   4.014  -3.020
   19    HD2  PRO   3           HD2      PRO   3   3.603   1.312  -3.371
   20    HD3  PRO   3           HD1      PRO   3   4.584   2.450  -4.322
   21    H    ALA   4           HN       ALA   4   4.546   0.660  -0.787
   22    HA   ALA   4           HA       ALA   4   5.231   0.985   2.029
   23    HB1  ALA   4           HB1      ALA   4   2.964   0.575   1.865
   24    HB2  ALA   4           HB2      ALA   4   3.563  -1.064   2.119
   25    HB3  ALA   4           HB3      ALA   4   3.153  -0.518   0.493
   26    H    CYS   5           HN       CYS   5   5.904  -1.157  -0.635
   27    HA   CYS   5           HA       CYS   5   6.949  -3.303   0.964
   28    HB2  CYS   5           HB2      CYS   5   6.825  -2.660  -1.945
   29    HB3  CYS   5           HB1      CYS   5   8.043  -3.820  -1.406
   30    H    PHE   6           HN       PHE   6   8.227  -0.395  -0.503
   31    HA   PHE   6           HA       PHE   6  10.959  -0.994  -0.489
   32    HB2  PHE   6           HB2      PHE   6  10.477   0.998  -1.573
   33    HB3  PHE   6           HB1      PHE   6   9.365   1.535  -0.315
   34    HD1  PHE   6           HD1      PHE   6  12.744   0.140   0.305
   35    HD2  PHE   6           HD2      PHE   6  10.339   3.694   0.122
   36    HE1  PHE   6           HE1      PHE   6  14.559   1.422   1.391
   37    HE2  PHE   6           HE2      PHE   6  12.162   4.981   1.207
   38    HZ   PHE   6           HZ       PHE   6  14.273   3.845   1.843
   39    H    DBU   7           HN       DHB   7   8.968   0.513   2.084
   40    HB   DBU   7           HB       DHB   7  10.173  -0.521   5.783
   41    HG1  DBU   7           HG1      DHB   7   8.139  -1.837   4.248
   42    HG2  DBU   7           HG2      DHB   7   9.214  -2.644   5.390
   43    HG3  DBU   7           HG3      DHB   7   9.656  -2.539   3.686
   44    H    ILE   8           HN       ILE   8   9.241   2.172   5.105
   45    HA   ILE   8           HA       ILE   8  11.033   4.209   4.303
   46    HB   ILE   8           HB       ILE   8   9.204   3.976   6.698
   47   HG12  ILE   8          HG12      ILE   8   8.964   5.649   4.181
   48   HG13  ILE   8          HG11      ILE   8   8.241   4.045   4.346
   49   HG21  ILE   8          HG21      ILE   8  11.142   5.546   7.061
   50   HG22  ILE   8          HG22      ILE   8   9.568   6.342   7.062
   51   HG23  ILE   8          HG23      ILE   8  10.608   6.447   5.642
   52   HD11  ILE   8          HD11      ILE   8   7.583   5.577   6.675
   53   HD12  ILE   8          HD12      ILE   8   6.494   4.930   5.448
   54   HD13  ILE   8          HD13      ILE   8   7.192   6.537   5.248
   55    H    GLY   9           HN       GLY   9  10.957   2.145   7.200
   56    HA2  GLY   9           HA2      GLY   9  13.284   3.375   8.366
   57    HA3  GLY   9           HA1      GLY   9  12.484   1.912   8.927
   58    H    LEU  10           HN       LEU  10  13.316  -0.052   8.404
   59    HA   LEU  10           HA       LEU  10  15.989  -0.227   7.509
   60    HB2  LEU  10           HB2      LEU  10  15.841  -2.433   8.067
   61    HB3  LEU  10           HB1      LEU  10  14.358  -1.907   8.859
   62    HG   LEU  10           HG       LEU  10  13.183  -2.401   6.623
   63   HD11  LEU  10          HD11      LEU  10  15.952  -3.276   6.069
   64   HD12  LEU  10          HD12      LEU  10  14.674  -2.808   4.946
   65   HD13  LEU  10          HD13      LEU  10  14.707  -4.441   5.616
   66   HD21  LEU  10          HD21      LEU  10  13.969  -5.052   7.343
   67   HD22  LEU  10          HD22      LEU  10  12.505  -4.189   7.813
   68   HD23  LEU  10          HD23      LEU  10  13.953  -4.077   8.813
   69    H    GLY  11           HN       GLY  11  12.907  -0.498   5.884
   70    HA2  GLY  11           HA2      GLY  11  13.309  -1.752   3.557
   71    HA3  GLY  11           HA1      GLY  11  12.470  -0.208   3.624
   72    H    VAL  12           HN       VAL  12  15.020   1.106   4.571
   73    HA   VAL  12           HA       VAL  12  15.945   2.048   2.073
   74    HB   VAL  12           HB       VAL  12  16.138   3.238   4.290
   75   HG11  VAL  12          HG11      VAL  12  17.903   2.656   5.799
   76   HG12  VAL  12          HG12      VAL  12  18.585   1.493   4.660
   77   HG13  VAL  12          HG13      VAL  12  17.043   1.156   5.452
   78   HG21  VAL  12          HG21      VAL  12  18.818   2.934   2.917
   79   HG22  VAL  12          HG22      VAL  12  18.139   4.379   3.664
   80   HG23  VAL  12          HG23      VAL  12  17.465   3.769   2.153
   81    H    GLY  13           HN       GLY  13  17.224  -0.405   4.296
   82    HA2  GLY  13           HA2      GLY  13  19.679  -0.882   3.073
   83    HA3  GLY  13           HA1      GLY  13  18.755  -2.091   3.960
   84    H    ALA  14           HN       ALA  14  16.477  -2.252   2.363
   85    HA   ALA  14           HA       ALA  14  17.399  -3.955   0.260
   86    HB1  ALA  14           HB1      ALA  14  14.600  -2.960   0.206
   87    HB2  ALA  14           HB2      ALA  14  15.091  -3.845   1.650
   88    HB3  ALA  14           HB3      ALA  14  15.212  -4.608   0.064
   89    H    LEU  15           HN       LEU  15  16.121  -0.703   0.474
   90    HA   LEU  15           HA       LEU  15  15.924  -0.237  -2.340
   91    HB2  LEU  15           HB2      LEU  15  14.577   1.048  -0.804
   92    HB3  LEU  15           HB1      LEU  15  16.013   1.624   0.044
   93    HG   LEU  15           HG       LEU  15  16.758   2.670  -2.134
   94   HD11  LEU  15          HD11      LEU  15  14.355   1.271  -2.987
   95   HD12  LEU  15          HD12      LEU  15  15.642   1.977  -3.965
   96   HD13  LEU  15          HD13      LEU  15  14.299   2.980  -3.415
   97   HD21  LEU  15          HD21      LEU  15  14.060   3.783  -1.443
   98   HD22  LEU  15          HD22      LEU  15  15.591   4.628  -1.670
   99   HD23  LEU  15          HD23      LEU  15  15.294   3.727  -0.183
  100    H    PHE  16           HN       PHE  16  18.023   1.400   0.014
  101    HA   PHE  16           HA       PHE  16  19.976   1.857  -2.112
  102    HB2  PHE  16           HB2      PHE  16  19.327   3.128   0.479
  103    HB3  PHE  16           HB1      PHE  16  21.029   3.127   0.017
  104    HD1  PHE  16           HD1      PHE  16  17.656   4.310  -0.862
  105    HD2  PHE  16           HD2      PHE  16  21.799   4.267  -1.991
  106    HE1  PHE  16           HE1      PHE  16  17.233   6.146  -2.476
  107    HE2  PHE  16           HE2      PHE  16  21.378   6.104  -3.605
  108    HZ   PHE  16           HZ       PHE  16  19.094   7.043  -3.848
  109    H    DAL  17           HN       DAL  17  19.575   0.023   0.828
  110    HA   DAL  17           HA       DAL  17  20.945  -1.470   1.901
  111    HB1  DAL  17           HB2      DAL  17  23.192   0.043   0.563
  112    HB2  DAL  17           HB3      DAL  17  22.458   0.479   2.101
  113    H    ALA  18           HN       ALA  18  19.916  -1.840  -0.866
  114    HA   ALA  18           HA       ALA  18  21.047  -4.383  -1.357
  115    HB1  ALA  18           HB1      ALA  18  19.703  -4.115  -3.564
  116    HB2  ALA  18           HB2      ALA  18  19.117  -2.624  -2.825
  117    HB3  ALA  18           HB3      ALA  18  18.835  -4.173  -2.030
  118    H    LYS  19           HN       LYS  19  21.554  -1.259  -3.016
  119    HA   LYS  19           HA       LYS  19  23.529  -2.597  -4.744
  120    HB2  LYS  19           HB2      LYS  19  23.422  -0.650  -6.174
  121    HB3  LYS  19           HB1      LYS  19  21.778  -1.189  -5.840
  122    HG2  LYS  19           HG2      LYS  19  22.650   0.685  -3.814
  123    HG3  LYS  19           HG1      LYS  19  22.833   1.387  -5.421
  124    HD2  LYS  19           HD2      LYS  19  20.468   0.632  -5.918
  125    HD3  LYS  19           HD1      LYS  19  20.316   0.207  -4.212
  126    HE2  LYS  19           HE2      LYS  19  20.851   2.534  -3.584
  127    HE3  LYS  19           HE1      LYS  19  20.999   2.959  -5.288
  128    HZ1  LYS  19           HZ1      LYS  19  18.591   1.753  -5.188
  129    HZ2  LYS  19           HZ2      LYS  19  18.840   3.433  -5.140
  130    HZ3  LYS  19           HZ3      LYS  19  18.633   2.560  -3.697
  131    H    PHE  20           HN       PHE  20  23.094  -0.275  -2.248
  132    HA   PHE  20           HA       PHE  20  25.984   0.289  -2.203
  133    HB2  PHE  20           HB2      PHE  20  23.650   1.822  -1.027
  134    HB3  PHE  20           HB1      PHE  20  25.344   2.215  -0.734
  135    HD1  PHE  20           HD1      PHE  20  22.565   2.486  -3.033
  136    HD2  PHE  20           HD2      PHE  20  26.839   2.765  -2.709
  137    HE1  PHE  20           HE1      PHE  20  22.646   3.740  -5.170
  138    HE2  PHE  20           HE2      PHE  20  26.920   4.021  -4.846
  139    HZ   PHE  20           HZ       PHE  20  24.823   4.508  -6.077
  140    H    CYS  21           HN       CYS  21  26.651   0.741   0.187
  141    HA   CYS  21           HA       CYS  21  27.200  -0.269   2.189
  142    HB2  CYS  21           HB2      CYS  21  25.426  -0.505   3.696
  143    HB3  CYS  21           HB1      CYS  21  24.776   0.641   2.524
  Start of MODEL    3
    1    H1   ABA   1           HT1      ABU   1   4.490  -5.955  -3.091
    2    H2   ABA   1           HT2      ABU   1   5.960  -5.114  -3.230
    3    H3   ABA   1           HT3      ABU   1   4.872  -5.150  -4.534
    4    HA   ABA   1           HA       ABU   1   3.271  -3.857  -3.317
    5    HB2  ABA   1           HB2      ABU   1   4.339  -2.872  -1.091
    6    HG1  ABA   1           HG1      ABU   1   2.230  -4.019  -1.070
    7    HG3  ABA   1           HG3      ABU   1   2.998  -5.565  -1.429
    8    HG2  ABA   1           HG2      ABU   1   3.239  -4.806   0.145
    9    H    DBU   2           HN       DHB   2   3.564  -1.448  -2.884
   10    HB   DBU   2           HB       DHB   2   5.560   1.186  -5.237
   11    HG1  DBU   2           HG1      DHB   2   5.166  -0.959  -6.826
   12    HG2  DBU   2           HG2      DHB   2   4.022   0.379  -6.933
   13    HG3  DBU   2           HG3      DHB   2   3.624  -1.048  -5.975
   14    HA   PRO   3           HA       PRO   3   6.774   2.742  -1.425
   15    HB2  PRO   3           HB2      PRO   3   4.103   3.400  -0.274
   16    HB3  PRO   3           HB1      PRO   3   5.388   4.486  -0.841
   17    HG2  PRO   3           HG2      PRO   3   3.170   4.097  -2.261
   18    HG3  PRO   3           HG1      PRO   3   4.747   4.317  -3.039
   19    HD2  PRO   3           HD2      PRO   3   3.157   1.808  -2.682
   20    HD3  PRO   3           HD1      PRO   3   4.236   2.281  -4.014
   21    H    ALA   4           HN       ALA   4   4.097   0.698  -0.289
   22    HA   ALA   4           HA       ALA   4   4.948   0.618   2.438
   23    HB1  ALA   4           HB1      ALA   4   2.936  -0.788   0.765
   24    HB2  ALA   4           HB2      ALA   4   2.751  -0.008   2.335
   25    HB3  ALA   4           HB3      ALA   4   3.471  -1.615   2.228
   26    H    CYS   5           HN       CYS   5   5.723  -1.206  -0.437
   27    HA   CYS   5           HA       CYS   5   7.058  -3.331   1.006
   28    HB2  CYS   5           HB2      CYS   5   6.579  -2.669  -1.862
   29    HB3  CYS   5           HB1      CYS   5   7.937  -3.728  -1.466
   30    H    PHE   6           HN       PHE   6   7.901  -0.284  -0.483
   31    HA   PHE   6           HA       PHE   6  10.654  -0.640  -0.803
   32    HB2  PHE   6           HB2      PHE   6   9.778   1.333  -1.725
   33    HB3  PHE   6           HB1      PHE   6   8.956   1.776  -0.229
   34    HD1  PHE   6           HD1      PHE   6  12.380   0.438  -0.175
   35    HD2  PHE   6           HD2      PHE   6   9.989   4.006  -0.170
   36    HE1  PHE   6           HE1      PHE   6  14.350   1.754   0.551
   37    HE2  PHE   6           HE2      PHE   6  11.961   5.327   0.547
   38    HZ   PHE   6           HZ       PHE   6  14.142   4.201   0.909
   39    H    DBU   7           HN       DHB   7   8.868   0.610   2.049
   40    HB   DBU   7           HB       DHB   7  10.719  -0.490   5.486
   41    HG1  DBU   7           HG1      DHB   7   8.775  -2.161   4.466
   42    HG2  DBU   7           HG2      DHB   7  10.370  -2.781   4.892
   43    HG3  DBU   7           HG3      DHB   7  10.006  -2.358   3.218
   44    H    ILE   8           HN       ILE   8   9.322   1.940   5.283
   45    HA   ILE   8           HA       ILE   8  10.548   4.351   4.435
   46    HB   ILE   8           HB       ILE   8   9.253   3.569   7.051
   47   HG12  ILE   8          HG12      ILE   8   8.269   5.369   4.820
   48   HG13  ILE   8          HG11      ILE   8   7.886   3.647   4.907
   49   HG21  ILE   8          HG21      ILE   8  10.939   5.788   6.505
   50   HG22  ILE   8          HG22      ILE   8   9.930   5.529   7.927
   51   HG23  ILE   8          HG23      ILE   8   9.285   6.399   6.536
   52   HD11  ILE   8          HD11      ILE   8   6.078   4.942   5.929
   53   HD12  ILE   8          HD12      ILE   8   7.227   5.735   7.007
   54   HD13  ILE   8          HD13      ILE   8   6.912   4.007   7.170
   55    H    GLY   9           HN       GLY   9  11.376   2.067   7.036
   56    HA2  GLY   9           HA2      GLY   9  13.849   3.595   7.534
   57    HA3  GLY   9           HA1      GLY   9  13.152   2.397   8.616
   58    H    LEU  10           HN       LEU  10  13.022   0.129   7.638
   59    HA   LEU  10           HA       LEU  10  15.630  -0.748   7.002
   60    HB2  LEU  10           HB2      LEU  10  14.777  -2.870   7.182
   61    HB3  LEU  10           HB1      LEU  10  13.484  -1.990   7.993
   62    HG   LEU  10           HG       LEU  10  12.395  -1.795   5.663
   63   HD11  LEU  10          HD11      LEU  10  14.761  -3.462   5.101
   64   HD12  LEU  10          HD12      LEU  10  13.769  -2.508   3.997
   65   HD13  LEU  10          HD13      LEU  10  13.247  -4.123   4.481
   66   HD21  LEU  10          HD21      LEU  10  11.550  -4.201   5.839
   67   HD22  LEU  10          HD22      LEU  10  11.402  -3.227   7.302
   68   HD23  LEU  10          HD23      LEU  10  12.703  -4.408   7.157
   69    H    GLY  11           HN       GLY  11  12.846   0.057   5.045
   70    HA2  GLY  11           HA2      GLY  11  13.302  -1.090   2.632
   71    HA3  GLY  11           HA1      GLY  11  12.743   0.570   2.795
   72    H    VAL  12           HN       VAL  12  15.189   1.488   4.091
   73    HA   VAL  12           HA       VAL  12  16.643   2.283   1.807
   74    HB   VAL  12           HB       VAL  12  16.666   3.581   3.884
   75   HG11  VAL  12          HG11      VAL  12  17.302   2.743   5.919
   76   HG12  VAL  12          HG12      VAL  12  18.527   1.681   5.216
   77   HG13  VAL  12          HG13      VAL  12  16.824   1.218   5.176
   78   HG21  VAL  12          HG21      VAL  12  19.338   2.440   3.024
   79   HG22  VAL  12          HG22      VAL  12  19.185   3.818   4.113
   80   HG23  VAL  12          HG23      VAL  12  18.578   3.928   2.462
   81    H    GLY  13           HN       GLY  13  17.130  -0.332   4.150
   82    HA2  GLY  13           HA2      GLY  13  19.689  -1.141   3.206
   83    HA3  GLY  13           HA1      GLY  13  18.581  -2.127   4.157
   84    H    ALA  14           HN       ALA  14  16.388  -2.294   2.510
   85    HA   ALA  14           HA       ALA  14  17.201  -4.282   0.633
   86    HB1  ALA  14           HB1      ALA  14  15.056  -4.812   1.088
   87    HB2  ALA  14           HB2      ALA  14  14.615  -3.557  -0.070
   88    HB3  ALA  14           HB3      ALA  14  14.694  -3.180   1.650
   89    H    LEU  15           HN       LEU  15  16.210  -0.929   0.415
   90    HA   LEU  15           HA       LEU  15  16.372  -0.865  -2.483
   91    HB2  LEU  15           HB2      LEU  15  14.676   0.517  -1.657
   92    HB3  LEU  15           HB1      LEU  15  15.666   1.091  -0.318
   93    HG   LEU  15           HG       LEU  15  16.966   1.757  -2.788
   94   HD11  LEU  15          HD11      LEU  15  15.006   1.871  -4.028
   95   HD12  LEU  15          HD12      LEU  15  15.045   3.492  -3.335
   96   HD13  LEU  15          HD13      LEU  15  14.018   2.250  -2.618
   97   HD21  LEU  15          HD21      LEU  15  17.140   2.830  -0.496
   98   HD22  LEU  15          HD22      LEU  15  15.562   3.558  -0.799
   99   HD23  LEU  15          HD23      LEU  15  16.935   3.967  -1.828
  100    H    PHE  16           HN       PHE  16  17.822   1.228  -0.011
  101    HA   PHE  16           HA       PHE  16  20.010   1.947  -1.721
  102    HB2  PHE  16           HB2      PHE  16  19.305   3.626  -0.224
  103    HB3  PHE  16           HB1      PHE  16  19.311   2.520   1.149
  104    HD1  PHE  16           HD1      PHE  16  21.421   4.478  -1.164
  105    HD2  PHE  16           HD2      PHE  16  21.360   1.911   2.277
  106    HE1  PHE  16           HE1      PHE  16  23.777   5.080  -0.674
  107    HE2  PHE  16           HE2      PHE  16  23.715   2.513   2.770
  108    HZ   PHE  16           HZ       PHE  16  24.924   4.098   1.293
  109    H    DAL  17           HN       DAL  17  19.525  -0.399   0.838
  110    HA   DAL  17           HA       DAL  17  20.945  -1.921   1.817
  111    HB1  DAL  17           HB2      DAL  17  23.187  -0.259   0.670
  112    HB2  DAL  17           HB3      DAL  17  22.411   0.058   2.216
  113    H    ALA  18           HN       ALA  18  20.106  -1.738  -1.157
  114    HA   ALA  18           HA       ALA  18  21.109  -4.280  -1.918
  115    HB1  ALA  18           HB1      ALA  18  19.166  -4.058  -3.021
  116    HB2  ALA  18           HB2      ALA  18  20.093  -3.163  -4.226
  117    HB3  ALA  18           HB3      ALA  18  19.233  -2.297  -2.953
  118    H    LYS  19           HN       LYS  19  21.951  -0.983  -3.037
  119    HA   LYS  19           HA       LYS  19  24.078  -2.187  -4.697
  120    HB2  LYS  19           HB2      LYS  19  24.175   0.450  -5.309
  121    HB3  LYS  19           HB1      LYS  19  23.152  -0.706  -6.161
  122    HG2  LYS  19           HG2      LYS  19  22.118   0.625  -3.676
  123    HG3  LYS  19           HG1      LYS  19  22.099   1.506  -5.203
  124    HD2  LYS  19           HD2      LYS  19  20.999  -0.660  -6.159
  125    HD3  LYS  19           HD1      LYS  19  20.644  -1.023  -4.469
  126    HE2  LYS  19           HE2      LYS  19  19.738   1.360  -6.090
  127    HE3  LYS  19           HE1      LYS  19  18.740   0.165  -5.261
  128    HZ1  LYS  19           HZ1      LYS  19  20.507   1.355  -3.420
  129    HZ2  LYS  19           HZ2      LYS  19  18.808   1.386  -3.434
  130    HZ3  LYS  19           HZ3      LYS  19  19.689   2.580  -4.262
  131    H    PHE  20           HN       PHE  20  23.367   0.015  -2.126
  132    HA   PHE  20           HA       PHE  20  26.205   0.569  -1.652
  133    HB2  PHE  20           HB2      PHE  20  23.715   1.756  -0.393
  134    HB3  PHE  20           HB1      PHE  20  25.374   2.271  -0.077
  135    HD1  PHE  20           HD1      PHE  20  22.586   2.344  -2.439
  136    HD2  PHE  20           HD2      PHE  20  26.723   3.345  -1.861
  137    HE1  PHE  20           HE1      PHE  20  22.505   3.823  -4.427
  138    HE2  PHE  20           HE2      PHE  20  26.642   4.825  -3.850
  139    HZ   PHE  20           HZ       PHE  20  24.533   5.065  -5.133
  140    H    CYS  21           HN       CYS  21  26.592   0.761   0.842
  141    HA   CYS  21           HA       CYS  21  27.044  -0.430   2.755
  142    HB2  CYS  21           HB2      CYS  21  25.162  -1.071   4.011
  143    HB3  CYS  21           HB1      CYS  21  24.549   0.209   2.967
  Start of MODEL    4
    1    H1   ABA   1           HT1      ABU   1   5.081  -5.723  -3.865
    2    H2   ABA   1           HT2      ABU   1   5.425  -6.259  -2.289
    3    H3   ABA   1           HT3      ABU   1   6.253  -4.922  -2.935
    4    HA   ABA   1           HA       ABU   1   3.316  -4.922  -2.581
    5    HB2  ABA   1           HB2      ABU   1   4.320  -3.352  -0.559
    6    HG1  ABA   1           HG1      ABU   1   2.449  -5.052  -0.532
    7    HG3  ABA   1           HG3      ABU   1   3.672  -6.302  -0.306
    8    HG2  ABA   1           HG2      ABU   1   3.451  -5.053   0.920
    9    H    DBU   2           HN       DHB   2   3.046  -2.375  -1.776
   10    HB   DBU   2           HB       DHB   2   3.321   0.646  -4.504
   11    HG1  DBU   2           HG1      DHB   2   1.855  -1.950  -4.815
   12    HG2  DBU   2           HG2      DHB   2   3.259  -1.796  -5.870
   13    HG3  DBU   2           HG3      DHB   2   1.949  -0.620  -5.969
   14    HA   PRO   3           HA       PRO   3   5.058   2.479  -0.964
   15    HB2  PRO   3           HB2      PRO   3   2.987   3.318   0.643
   16    HB3  PRO   3           HB1      PRO   3   3.232   3.862  -1.029
   17    HG2  PRO   3           HG2      PRO   3   1.358   1.819   0.041
   18    HG3  PRO   3           HG1      PRO   3   1.125   2.999  -1.260
   19    HD2  PRO   3           HD2      PRO   3   1.650   0.354  -1.731
   20    HD3  PRO   3           HD1      PRO   3   2.132   1.650  -2.846
   21    H    ALA   4           HN       ALA   4   3.347  -0.226   0.382
   22    HA   ALA   4           HA       ALA   4   4.336   0.188   3.083
   23    HB1  ALA   4           HB1      ALA   4   2.615  -1.152   3.578
   24    HB2  ALA   4           HB2      ALA   4   3.378  -2.472   2.691
   25    HB3  ALA   4           HB3      ALA   4   2.286  -1.364   1.859
   26    H    CYS   5           HN       CYS   5   5.243  -1.586   0.215
   27    HA   CYS   5           HA       CYS   5   7.086  -3.350   1.538
   28    HB2  CYS   5           HB2      CYS   5   6.392  -2.707  -1.290
   29    HB3  CYS   5           HB1      CYS   5   7.952  -3.469  -0.970
   30    H    PHE   6           HN       PHE   6   7.270  -0.200  -0.010
   31    HA   PHE   6           HA       PHE   6  10.055   0.029  -0.237
   32    HB2  PHE   6           HB2      PHE   6   8.693   1.666  -1.313
   33    HB3  PHE   6           HB1      PHE   6   7.902   2.101   0.203
   34    HD1  PHE   6           HD1      PHE   6  11.528   1.509  -0.513
   35    HD2  PHE   6           HD2      PHE   6   8.497   4.343   0.602
   36    HE1  PHE   6           HE1      PHE   6  13.281   3.207  -0.063
   37    HE2  PHE   6           HE2      PHE   6  10.249   6.041   1.047
   38    HZ   PHE   6           HZ       PHE   6  12.640   5.473   0.713
   39    H    DBU   7           HN       DHB   7   7.896   0.923   2.469
   40    HB   DBU   7           HB       DHB   7   9.232   0.705   6.150
   41    HG1  DBU   7           HG1      DHB   7   8.022  -1.377   4.373
   42    HG2  DBU   7           HG2      DHB   7   6.827  -0.314   5.116
   43    HG3  DBU   7           HG3      DHB   7   7.915  -1.262   6.130
   44    H    ILE   8           HN       ILE   8   9.550   2.694   5.962
   45    HA   ILE   8           HA       ILE   8  11.080   4.705   4.653
   46    HB   ILE   8           HB       ILE   8  11.262   5.744   6.808
   47   HG12  ILE   8          HG12      ILE   8  10.348   3.098   7.992
   48   HG13  ILE   8          HG11      ILE   8  12.007   3.701   8.039
   49   HG21  ILE   8          HG21      ILE   8   9.071   6.217   6.630
   50   HG22  ILE   8          HG22      ILE   8   8.703   4.752   7.541
   51   HG23  ILE   8          HG23      ILE   8   8.791   4.696   5.780
   52   HD11  ILE   8          HD11      ILE   8  10.164   5.738   8.952
   53   HD12  ILE   8          HD12      ILE   8  11.545   5.031   9.792
   54   HD13  ILE   8          HD13      ILE   8   9.963   4.255   9.887
   55    H    GLY   9           HN       GLY   9  11.943   2.044   6.844
   56    HA2  GLY   9           HA2      GLY   9  14.793   2.674   6.479
   57    HA3  GLY   9           HA1      GLY   9  14.124   1.593   7.696
   58    H    LEU  10           HN       LEU  10  12.444   0.068   5.977
   59    HA   LEU  10           HA       LEU  10  14.230  -1.917   5.108
   60    HB2  LEU  10           HB2      LEU  10  11.929  -2.420   5.712
   61    HB3  LEU  10           HB1      LEU  10  11.335  -1.421   4.387
   62    HG   LEU  10           HG       LEU  10  11.432  -3.942   3.973
   63   HD11  LEU  10          HD11      LEU  10  11.817  -1.742   2.301
   64   HD12  LEU  10          HD12      LEU  10  11.411  -3.379   1.785
   65   HD13  LEU  10          HD13      LEU  10  13.096  -2.864   1.836
   66   HD21  LEU  10          HD21      LEU  10  14.374  -3.358   3.573
   67   HD22  LEU  10          HD22      LEU  10  13.565  -4.921   3.459
   68   HD23  LEU  10          HD23      LEU  10  13.742  -4.130   5.026
   69    H    GLY  11           HN       GLY  11  12.470   0.597   3.337
   70    HA2  GLY  11           HA2      GLY  11  13.163  -0.194   0.733
   71    HA3  GLY  11           HA1      GLY  11  12.727   1.438   1.221
   72    H    VAL  12           HN       VAL  12  14.818   1.955   3.025
   73    HA   VAL  12           HA       VAL  12  16.829   2.819   1.240
   74    HB   VAL  12           HB       VAL  12  16.145   3.535   3.741
   75   HG11  VAL  12          HG11      VAL  12  17.698   2.809   5.379
   76   HG12  VAL  12          HG12      VAL  12  18.761   2.085   4.172
   77   HG13  VAL  12          HG13      VAL  12  17.210   1.332   4.549
   78   HG21  VAL  12          HG21      VAL  12  17.617   4.672   1.994
   79   HG22  VAL  12          HG22      VAL  12  18.981   3.833   2.733
   80   HG23  VAL  12          HG23      VAL  12  18.039   4.988   3.677
   81    H    GLY  13           HN       GLY  13  16.601   0.040   3.419
   82    HA2  GLY  13           HA2      GLY  13  19.249  -0.897   3.075
   83    HA3  GLY  13           HA1      GLY  13  17.875  -1.871   3.589
   84    H    ALA  14           HN       ALA  14  16.239  -1.529   1.303
   85    HA   ALA  14           HA       ALA  14  17.341  -3.526  -0.411
   86    HB1  ALA  14           HB1      ALA  14  15.266  -2.575  -1.841
   87    HB2  ALA  14           HB2      ALA  14  14.835  -1.953  -0.249
   88    HB3  ALA  14           HB3      ALA  14  15.066  -3.685  -0.485
   89    H    LEU  15           HN       LEU  15  16.874  -0.046  -0.638
   90    HA   LEU  15           HA       LEU  15  17.955   0.098  -3.327
   91    HB2  LEU  15           HB2      LEU  15  17.424   2.406  -1.464
   92    HB3  LEU  15           HB1      LEU  15  17.398   2.388  -3.223
   93    HG   LEU  15           HG       LEU  15  15.539   0.554  -1.801
   94   HD11  LEU  15          HD11      LEU  15  14.863   3.466  -2.218
   95   HD12  LEU  15          HD12      LEU  15  15.453   2.844  -0.676
   96   HD13  LEU  15          HD13      LEU  15  13.934   2.248  -1.345
   97   HD21  LEU  15          HD21      LEU  15  15.937   0.965  -4.385
   98   HD22  LEU  15          HD22      LEU  15  14.883   2.352  -4.112
   99   HD23  LEU  15          HD23      LEU  15  14.302   0.722  -3.771
  100    H    PHE  16           HN       PHE  16  18.815   1.630  -0.237
  101    HA   PHE  16           HA       PHE  16  21.445   2.330  -1.127
  102    HB2  PHE  16           HB2      PHE  16  20.289   3.706   0.499
  103    HB3  PHE  16           HB1      PHE  16  20.178   2.348   1.616
  104    HD1  PHE  16           HD1      PHE  16  22.513   4.703  -0.033
  105    HD2  PHE  16           HD2      PHE  16  22.053   1.616   2.916
  106    HE1  PHE  16           HE1      PHE  16  24.767   5.226   0.862
  107    HE2  PHE  16           HE2      PHE  16  24.307   2.140   3.815
  108    HZ   PHE  16           HZ       PHE  16  25.664   3.944   2.787
  109    H    DAL  17           HN       DAL  17  20.063  -0.304   0.745
  110    HA   DAL  17           HA       DAL  17  21.034  -2.146   1.739
  111    HB1  DAL  17           HB2      DAL  17  23.683  -0.768   1.292
  112    HB2  DAL  17           HB3      DAL  17  22.675  -0.538   2.713
  113    H    ALA  18           HN       ALA  18  20.771  -1.460  -1.241
  114    HA   ALA  18           HA       ALA  18  21.550  -3.999  -2.225
  115    HB1  ALA  18           HB1      ALA  18  20.245  -1.584  -3.270
  116    HB2  ALA  18           HB2      ALA  18  19.852  -3.284  -3.526
  117    HB3  ALA  18           HB3      ALA  18  21.126  -2.521  -4.478
  118    H    LYS  19           HN       LYS  19  23.043  -0.771  -2.668
  119    HA   LYS  19           HA       LYS  19  25.239  -2.103  -4.121
  120    HB2  LYS  19           HB2      LYS  19  25.932   0.353  -4.557
  121    HB3  LYS  19           HB1      LYS  19  24.536  -0.279  -5.427
  122    HG2  LYS  19           HG2      LYS  19  23.947   0.929  -2.787
  123    HG3  LYS  19           HG1      LYS  19  24.498   2.051  -4.031
  124    HD2  LYS  19           HD2      LYS  19  22.769   1.110  -5.577
  125    HD3  LYS  19           HD1      LYS  19  22.168   0.126  -4.243
  126    HE2  LYS  19           HE2      LYS  19  21.680   2.142  -2.941
  127    HE3  LYS  19           HE1      LYS  19  22.343   3.152  -4.224
  128    HZ1  LYS  19           HZ1      LYS  19  20.649   2.146  -5.720
  129    HZ2  LYS  19           HZ2      LYS  19  20.001   3.110  -4.480
  130    HZ3  LYS  19           HZ3      LYS  19  19.944   1.416  -4.362
  131    H    PHE  20           HN       PHE  20  24.411  -0.160  -1.373
  132    HA   PHE  20           HA       PHE  20  27.173  -0.212  -0.387
  133    HB2  PHE  20           HB2      PHE  20  24.730   1.249   0.653
  134    HB3  PHE  20           HB1      PHE  20  26.356   1.369   1.323
  135    HD1  PHE  20           HD1      PHE  20  24.153   2.302  -1.457
  136    HD2  PHE  20           HD2      PHE  20  28.172   2.442   0.050
  137    HE1  PHE  20           HE1      PHE  20  24.718   4.047  -3.125
  138    HE2  PHE  20           HE2      PHE  20  28.737   4.187  -1.617
  139    HZ   PHE  20           HZ       PHE  20  27.010   4.991  -3.205
  140    H    CYS  21           HN       CYS  21  27.142  -0.465   2.127
  141    HA   CYS  21           HA       CYS  21  27.038  -2.003   3.836
  142    HB2  CYS  21           HB2      CYS  21  24.885  -2.390   4.690
  143    HB3  CYS  21           HB1      CYS  21  24.692  -0.891   3.781
  Start of MODEL    5
    1    H1   ABA   1           HT1      ABU   1   3.718  -5.183  -3.261
    2    H2   ABA   1           HT2      ABU   1   4.546  -6.022  -2.037
    3    H3   ABA   1           HT3      ABU   1   5.208  -4.603  -2.696
    4    HA   ABA   1           HA       ABU   1   2.627  -4.670  -1.242
    5    HB2  ABA   1           HB2      ABU   1   4.463  -3.351   0.350
    6    HG1  ABA   1           HG1      ABU   1   2.673  -5.460   0.531
    7    HG3  ABA   1           HG3      ABU   1   4.211  -6.200   0.976
    8    HG2  ABA   1           HG2      ABU   1   3.616  -4.799   1.866
    9    H    DBU   2           HN       DHB   2   4.406  -3.292  -3.604
   10    HB   DBU   2           HB       DHB   2   3.435   0.221  -5.049
   11    HG1  DBU   2           HG1      DHB   2   1.903  -2.311  -5.205
   12    HG2  DBU   2           HG2      DHB   2   3.310  -2.354  -6.268
   13    HG3  DBU   2           HG3      DHB   2   2.092  -1.095  -6.469
   14    HA   PRO   3           HA       PRO   3   5.652   2.185  -1.939
   15    HB2  PRO   3           HB2      PRO   3   3.622   3.430  -0.544
   16    HB3  PRO   3           HB1      PRO   3   3.998   3.742  -2.250
   17    HG2  PRO   3           HG2      PRO   3   1.878   2.021  -1.064
   18    HG3  PRO   3           HG1      PRO   3   1.808   3.088  -2.478
   19    HD2  PRO   3           HD2      PRO   3   2.060   0.395  -2.717
   20    HD3  PRO   3           HD1      PRO   3   2.797   1.520  -3.881
   21    H    ALA   4           HN       ALA   4   3.347   0.137  -0.230
   22    HA   ALA   4           HA       ALA   4   4.326   0.685   2.398
   23    HB1  ALA   4           HB1      ALA   4   2.125  -0.193   2.239
   24    HB2  ALA   4           HB2      ALA   4   3.101  -1.483   2.940
   25    HB3  ALA   4           HB3      ALA   4   2.656  -1.542   1.235
   26    H    CYS   5           HN       CYS   5   5.235  -1.510  -0.159
   27    HA   CYS   5           HA       CYS   5   6.818  -3.258   1.453
   28    HB2  CYS   5           HB2      CYS   5   6.373  -2.835  -1.446
   29    HB3  CYS   5           HB1      CYS   5   7.915  -3.561  -0.987
   30    H    PHE   6           HN       PHE   6   7.350  -0.165  -0.048
   31    HA   PHE   6           HA       PHE   6  10.144  -0.122  -0.203
   32    HB2  PHE   6           HB2      PHE   6   9.035   1.706  -1.183
   33    HB3  PHE   6           HB1      PHE   6   8.091   2.029   0.272
   34    HD1  PHE   6           HD1      PHE   6  11.678   1.840  -0.856
   35    HD2  PHE   6           HD2      PHE   6   8.786   3.706   1.717
   36    HE1  PHE   6           HE1      PHE   6  13.417   3.420  -0.042
   37    HE2  PHE   6           HE2      PHE   6  10.519   5.282   2.523
   38    HZ   PHE   6           HZ       PHE   6  12.831   5.140   1.645
   39    H    DBU   7           HN       DHB   7   8.019   0.809   2.528
   40    HB   DBU   7           HB       DHB   7   9.420   0.176   6.181
   41    HG1  DBU   7           HG1      DHB   7   7.035  -0.780   5.587
   42    HG2  DBU   7           HG2      DHB   7   8.321  -1.984   5.685
   43    HG3  DBU   7           HG3      DHB   7   7.790  -1.388   4.112
   44    H    ILE   8           HN       ILE   8   9.518   2.457   5.957
   45    HA   ILE   8           HA       ILE   8  11.243   4.363   4.779
   46    HB   ILE   8           HB       ILE   8  10.504   3.852   7.665
   47   HG12  ILE   8          HG12      ILE   8   8.671   4.547   6.127
   48   HG13  ILE   8          HG11      ILE   8   9.039   5.793   7.322
   49   HG21  ILE   8          HG21      ILE   8  11.373   6.535   7.136
   50   HG22  ILE   8          HG22      ILE   8  12.637   5.419   6.619
   51   HG23  ILE   8          HG23      ILE   8  12.042   5.371   8.279
   52   HD11  ILE   8          HD11      ILE   8   9.413   7.246   5.649
   53   HD12  ILE   8          HD12      ILE   8   9.147   5.976   4.454
   54   HD13  ILE   8          HD13      ILE   8  10.762   6.244   5.112
   55    H    GLY   9           HN       GLY   9  11.863   1.727   7.088
   56    HA2  GLY   9           HA2      GLY   9  14.720   2.324   7.108
   57    HA3  GLY   9           HA1      GLY   9  13.906   1.077   8.046
   58    H    LEU  10           HN       LEU  10  12.612  -0.397   6.176
   59    HA   LEU  10           HA       LEU  10  14.675  -2.007   5.097
   60    HB2  LEU  10           HB2      LEU  10  13.007  -3.481   4.560
   61    HB3  LEU  10           HB1      LEU  10  12.104  -2.479   5.694
   62    HG   LEU  10           HG       LEU  10  11.502  -1.043   3.626
   63   HD11  LEU  10          HD11      LEU  10  12.322  -1.706   1.639
   64   HD12  LEU  10          HD12      LEU  10  11.506  -3.258   1.822
   65   HD13  LEU  10          HD13      LEU  10  13.148  -3.049   2.429
   66   HD21  LEU  10          HD21      LEU  10   9.493  -2.101   3.679
   67   HD22  LEU  10          HD22      LEU  10  10.238  -3.120   4.910
   68   HD23  LEU  10          HD23      LEU  10  10.198  -3.653   3.230
   69    H    GLY  11           HN       GLY  11  12.656   0.524   3.725
   70    HA2  GLY  11           HA2      GLY  11  13.127   0.099   1.000
   71    HA3  GLY  11           HA1      GLY  11  12.772   1.660   1.731
   72    H    VAL  12           HN       VAL  12  14.974   2.063   3.333
   73    HA   VAL  12           HA       VAL  12  16.883   2.974   1.448
   74    HB   VAL  12           HB       VAL  12  16.327   3.674   3.967
   75   HG11  VAL  12          HG11      VAL  12  18.169   2.961   5.455
   76   HG12  VAL  12          HG12      VAL  12  18.766   1.882   4.194
   77   HG13  VAL  12          HG13      VAL  12  17.195   1.584   4.938
   78   HG21  VAL  12          HG21      VAL  12  18.282   5.054   3.869
   79   HG22  VAL  12          HG22      VAL  12  17.779   4.787   2.199
   80   HG23  VAL  12          HG23      VAL  12  19.138   3.882   2.867
   81    H    GLY  13           HN       GLY  13  16.733   0.149   3.563
   82    HA2  GLY  13           HA2      GLY  13  19.354  -0.809   3.094
   83    HA3  GLY  13           HA1      GLY  13  17.989  -1.777   3.642
   84    H    ALA  14           HN       ALA  14  16.268  -1.363   1.423
   85    HA   ALA  14           HA       ALA  14  17.285  -3.342  -0.362
   86    HB1  ALA  14           HB1      ALA  14  14.891  -3.143   0.089
   87    HB2  ALA  14           HB2      ALA  14  15.211  -2.929  -1.632
   88    HB3  ALA  14           HB3      ALA  14  14.879  -1.526  -0.615
   89    H    LEU  15           HN       LEU  15  16.925   0.150  -0.485
   90    HA   LEU  15           HA       LEU  15  17.915   0.310  -3.224
   91    HB2  LEU  15           HB2      LEU  15  17.399   2.597  -1.328
   92    HB3  LEU  15           HB1      LEU  15  17.344   2.599  -3.086
   93    HG   LEU  15           HG       LEU  15  15.515   0.796  -1.553
   94   HD11  LEU  15          HD11      LEU  15  14.969   3.697  -2.225
   95   HD12  LEU  15          HD12      LEU  15  15.283   3.079  -0.603
   96   HD13  LEU  15          HD13      LEU  15  13.837   2.569  -1.477
   97   HD21  LEU  15          HD21      LEU  15  14.273   1.977  -3.783
   98   HD22  LEU  15          HD22      LEU  15  14.910   0.335  -3.676
   99   HD23  LEU  15          HD23      LEU  15  15.925   1.635  -4.298
  100    H    PHE  16           HN       PHE  16  18.826   1.826  -0.135
  101    HA   PHE  16           HA       PHE  16  21.454   2.510  -1.060
  102    HB2  PHE  16           HB2      PHE  16  20.354   3.889   0.610
  103    HB3  PHE  16           HB1      PHE  16  20.229   2.515   1.707
  104    HD1  PHE  16           HD1      PHE  16  22.546   4.937   0.161
  105    HD2  PHE  16           HD2      PHE  16  22.157   1.631   2.875
  106    HE1  PHE  16           HE1      PHE  16  24.822   5.393   1.039
  107    HE2  PHE  16           HE2      PHE  16  24.432   2.088   3.757
  108    HZ   PHE  16           HZ       PHE  16  25.765   3.969   2.840
  109    H    DAL  17           HN       DAL  17  20.035  -0.114   0.797
  110    HA   DAL  17           HA       DAL  17  20.996  -1.955   1.818
  111    HB1  DAL  17           HB2      DAL  17  23.669  -0.710   1.182
  112    HB2  DAL  17           HB3      DAL  17  22.754  -0.380   2.646
  113    H    ALA  18           HN       ALA  18  20.569  -1.348  -1.155
  114    HA   ALA  18           HA       ALA  18  21.223  -3.929  -2.125
  115    HB1  ALA  18           HB1      ALA  18  20.743  -2.440  -4.381
  116    HB2  ALA  18           HB2      ALA  18  19.903  -1.518  -3.134
  117    HB3  ALA  18           HB3      ALA  18  19.505  -3.216  -3.392
  118    H    LYS  19           HN       LYS  19  22.781  -0.761  -2.652
  119    HA   LYS  19           HA       LYS  19  24.852  -2.122  -4.247
  120    HB2  LYS  19           HB2      LYS  19  25.527   0.320  -4.747
  121    HB3  LYS  19           HB1      LYS  19  24.034  -0.278  -5.471
  122    HG2  LYS  19           HG2      LYS  19  23.593   0.825  -2.801
  123    HG3  LYS  19           HG1      LYS  19  24.286   2.010  -3.908
  124    HD2  LYS  19           HD2      LYS  19  22.515   1.306  -5.594
  125    HD3  LYS  19           HD1      LYS  19  21.749   0.406  -4.285
  126    HE2  LYS  19           HE2      LYS  19  20.650   2.497  -4.248
  127    HE3  LYS  19           HE1      LYS  19  21.849   2.627  -2.962
  128    HZ1  LYS  19           HZ1      LYS  19  23.038   3.386  -5.385
  129    HZ2  LYS  19           HZ2      LYS  19  22.751   4.336  -4.006
  130    HZ3  LYS  19           HZ3      LYS  19  21.576   4.232  -5.229
  131    H    PHE  20           HN       PHE  20  24.259  -0.195  -1.430
  132    HA   PHE  20           HA       PHE  20  27.083  -0.306  -0.638
  133    HB2  PHE  20           HB2      PHE  20  24.784   1.243   0.577
  134    HB3  PHE  20           HB1      PHE  20  26.477   1.359   1.048
  135    HD1  PHE  20           HD1      PHE  20  23.942   2.406  -1.326
  136    HD2  PHE  20           HD2      PHE  20  28.173   2.203  -0.619
  137    HE1  PHE  20           HE1      PHE  20  24.321   4.090  -3.104
  138    HE2  PHE  20           HE2      PHE  20  28.552   3.889  -2.398
  139    HZ   PHE  20           HZ       PHE  20  26.626   4.834  -3.640
  140    H    CYS  21           HN       CYS  21  27.148  -0.444   1.913
  141    HA   CYS  21           HA       CYS  21  27.072  -1.897   3.692
  142    HB2  CYS  21           HB2      CYS  21  24.931  -2.258   4.611
  143    HB3  CYS  21           HB1      CYS  21  24.744  -0.775   3.681
  Start of MODEL    6
    1    H1   ABA   1           HT1      ABU   1   5.958  -5.453  -3.340
    2    H2   ABA   1           HT2      ABU   1   4.391  -5.790  -3.905
    3    H3   ABA   1           HT3      ABU   1   4.773  -6.018  -2.265
    4    HA   ABA   1           HA       ABU   1   3.541  -3.854  -3.189
    5    HB2  ABA   1           HB2      ABU   1   4.741  -2.744  -1.102
    6    HG1  ABA   1           HG1      ABU   1   3.385  -4.921   0.090
    7    HG3  ABA   1           HG3      ABU   1   2.722  -3.332  -0.295
    8    HG2  ABA   1           HG2      ABU   1   2.601  -4.647  -1.466
    9    H    DBU   2           HN       DHB   2   4.173  -1.570  -3.389
   10    HB   DBU   2           HB       DHB   2   6.801   0.128  -5.972
   11    HG1  DBU   2           HG1      DHB   2   4.951  -2.298  -6.352
   12    HG2  DBU   2           HG2      DHB   2   6.393  -1.995  -7.321
   13    HG3  DBU   2           HG3      DHB   2   5.004  -0.917  -7.447
   14    HA   PRO   3           HA       PRO   3   7.524   2.417  -2.302
   15    HB2  PRO   3           HB2      PRO   3   5.416   4.014  -1.537
   16    HB3  PRO   3           HB1      PRO   3   6.260   4.157  -3.092
   17    HG2  PRO   3           HG2      PRO   3   3.663   2.855  -2.458
   18    HG3  PRO   3           HG1      PRO   3   4.142   3.791  -3.884
   19    HD2  PRO   3           HD2      PRO   3   4.008   1.060  -3.887
   20    HD3  PRO   3           HD1      PRO   3   5.138   1.971  -4.913
   21    H    ALA   4           HN       ALA   4   4.768   0.556  -1.269
   22    HA   ALA   4           HA       ALA   4   5.122   1.198   1.546
   23    HB1  ALA   4           HB1      ALA   4   2.945   0.442   0.133
   24    HB2  ALA   4           HB2      ALA   4   3.104   0.194   1.872
   25    HB3  ALA   4           HB3      ALA   4   3.461  -1.124   0.757
   26    H    CYS   5           HN       CYS   5   6.084  -1.269  -0.725
   27    HA   CYS   5           HA       CYS   5   6.903  -3.163   1.296
   28    HB2  CYS   5           HB2      CYS   5   7.054  -3.014  -1.682
   29    HB3  CYS   5           HB1      CYS   5   8.163  -4.098  -0.837
   30    H    PHE   6           HN       PHE   6   8.306  -0.477  -0.399
   31    HA   PHE   6           HA       PHE   6  11.024  -1.086  -0.189
   32    HB2  PHE   6           HB2      PHE   6  10.644   0.810  -1.463
   33    HB3  PHE   6           HB1      PHE   6   9.454   1.460  -0.334
   34    HD1  PHE   6           HD1      PHE   6  12.780   0.105   0.581
   35    HD2  PHE   6           HD2      PHE   6  10.406   3.639   0.037
   36    HE1  PHE   6           HE1      PHE   6  14.536   1.448   1.687
   37    HE2  PHE   6           HE2      PHE   6  12.168   4.992   1.142
   38    HZ   PHE   6           HZ       PHE   6  14.235   3.897   1.969
   39    H    DBU   7           HN       DHB   7   8.931   0.668   2.138
   40    HB   DBU   7           HB       DHB   7   9.911   0.006   5.974
   41    HG1  DBU   7           HG1      DHB   7   7.901  -1.455   5.348
   42    HG2  DBU   7           HG2      DHB   7   9.402  -2.378   5.287
   43    HG3  DBU   7           HG3      DHB   7   8.674  -1.778   3.796
   44    H    ILE   8           HN       ILE   8   9.213   2.632   5.007
   45    HA   ILE   8           HA       ILE   8  11.209   4.453   4.136
   46    HB   ILE   8           HB       ILE   8   9.241   4.587   6.430
   47   HG12  ILE   8          HG12      ILE   8   8.271   4.496   4.140
   48   HG13  ILE   8          HG11      ILE   8   8.001   6.062   4.905
   49   HG21  ILE   8          HG21      ILE   8  11.254   6.563   5.374
   50   HG22  ILE   8          HG22      ILE   8  10.889   6.144   7.048
   51   HG23  ILE   8          HG23      ILE   8   9.755   7.122   6.116
   52   HD11  ILE   8          HD11      ILE   8   8.819   6.837   2.910
   53   HD12  ILE   8          HD12      ILE   8   9.729   5.360   2.592
   54   HD13  ILE   8          HD13      ILE   8  10.366   6.566   3.711
   55    H    GLY   9           HN       GLY   9  10.768   2.684   7.187
   56    HA2  GLY   9           HA2      GLY   9  13.051   3.833   8.466
   57    HA3  GLY   9           HA1      GLY   9  12.170   2.403   8.999
   58    H    LEU  10           HN       LEU  10  13.035   0.435   8.660
   59    HA   LEU  10           HA       LEU  10  15.748   0.194   7.892
   60    HB2  LEU  10           HB2      LEU  10  15.574  -1.983   8.569
   61    HB3  LEU  10           HB1      LEU  10  14.097  -1.378   9.317
   62    HG   LEU  10           HG       LEU  10  12.935  -1.991   7.097
   63   HD11  LEU  10          HD11      LEU  10  14.422  -4.142   6.277
   64   HD12  LEU  10          HD12      LEU  10  15.686  -2.970   6.656
   65   HD13  LEU  10          HD13      LEU  10  14.432  -2.566   5.482
   66   HD21  LEU  10          HD21      LEU  10  12.559  -4.259   7.852
   67   HD22  LEU  10          HD22      LEU  10  12.781  -3.253   9.283
   68   HD23  LEU  10          HD23      LEU  10  14.097  -4.278   8.715
   69    H    GLY  11           HN       GLY  11  12.731  -0.136   6.174
   70    HA2  GLY  11           HA2      GLY  11  13.204  -1.584   3.969
   71    HA3  GLY  11           HA1      GLY  11  12.384  -0.033   3.887
   72    H    VAL  12           HN       VAL  12  14.948   1.293   4.839
   73    HA   VAL  12           HA       VAL  12  15.979   2.017   2.300
   74    HB   VAL  12           HB       VAL  12  16.112   3.240   4.622
   75   HG11  VAL  12          HG11      VAL  12  18.140   2.880   5.844
   76   HG12  VAL  12          HG12      VAL  12  18.783   1.809   4.596
   77   HG13  VAL  12          HG13      VAL  12  17.427   1.287   5.597
   78   HG21  VAL  12          HG21      VAL  12  16.984   4.051   2.407
   79   HG22  VAL  12          HG22      VAL  12  18.506   3.231   2.757
   80   HG23  VAL  12          HG23      VAL  12  17.969   4.565   3.777
   81    H    GLY  13           HN       GLY  13  17.043  -0.301   4.747
   82    HA2  GLY  13           HA2      GLY  13  19.558  -0.935   3.769
   83    HA3  GLY  13           HA1      GLY  13  18.504  -2.072   4.604
   84    H    ALA  14           HN       ALA  14  16.451  -2.531   2.941
   85    HA   ALA  14           HA       ALA  14  17.585  -4.177   0.917
   86    HB1  ALA  14           HB1      ALA  14  15.147  -4.052   2.173
   87    HB2  ALA  14           HB2      ALA  14  15.501  -5.039   0.753
   88    HB3  ALA  14           HB3      ALA  14  14.761  -3.449   0.560
   89    H    LEU  15           HN       LEU  15  15.945  -1.054   0.873
   90    HA   LEU  15           HA       LEU  15  15.870  -0.694  -1.936
   91    HB2  LEU  15           HB2      LEU  15  14.462   0.669  -0.608
   92    HB3  LEU  15           HB1      LEU  15  15.798   1.193   0.416
   93    HG   LEU  15           HG       LEU  15  16.817   2.281  -1.614
   94   HD11  LEU  15          HD11      LEU  15  14.132   1.503  -2.769
   95   HD12  LEU  15          HD12      LEU  15  15.722   1.005  -3.346
   96   HD13  LEU  15          HD13      LEU  15  15.213   2.685  -3.506
   97   HD21  LEU  15          HD21      LEU  15  14.013   3.275  -1.042
   98   HD22  LEU  15          HD22      LEU  15  15.430   4.233  -1.474
   99   HD23  LEU  15          HD23      LEU  15  15.341   3.454   0.106
  100    H    PHE  16           HN       PHE  16  17.945   0.951   0.421
  101    HA   PHE  16           HA       PHE  16  19.790   1.815  -1.591
  102    HB2  PHE  16           HB2      PHE  16  19.354   2.234   1.267
  103    HB3  PHE  16           HB1      PHE  16  21.062   2.132   0.841
  104    HD1  PHE  16           HD1      PHE  16  17.866   3.750  -0.270
  105    HD2  PHE  16           HD2      PHE  16  22.149   3.998  -0.051
  106    HE1  PHE  16           HE1      PHE  16  17.779   6.051  -1.191
  107    HE2  PHE  16           HE2      PHE  16  22.062   6.301  -0.973
  108    HZ   PHE  16           HZ       PHE  16  19.876   7.327  -1.542
  109    H    DAL  17           HN       DAL  17  19.545  -0.928   0.551
  110    HA   DAL  17           HA       DAL  17  20.810  -2.854   0.697
  111    HB1  DAL  17           HB2      DAL  17  23.091  -0.890   0.460
  112    HB2  DAL  17           HB3      DAL  17  22.220  -1.236   1.944
  113    H    ALA  18           HN       ALA  18  19.954  -1.869  -1.930
  114    HA   ALA  18           HA       ALA  18  21.265  -3.809  -3.530
  115    HB1  ALA  18           HB1      ALA  18  19.672  -3.317  -5.134
  116    HB2  ALA  18           HB2      ALA  18  19.649  -1.599  -4.736
  117    HB3  ALA  18           HB3      ALA  18  18.857  -2.762  -3.673
  118    H    LYS  19           HN       LYS  19  21.548  -0.271  -3.363
  119    HA   LYS  19           HA       LYS  19  23.613  -0.367  -5.463
  120    HB2  LYS  19           HB2      LYS  19  23.380   2.129  -5.434
  121    HB3  LYS  19           HB1      LYS  19  21.896   1.287  -5.877
  122    HG2  LYS  19           HG2      LYS  19  22.070   1.620  -2.999
  123    HG3  LYS  19           HG1      LYS  19  22.204   3.174  -3.819
  124    HD2  LYS  19           HD2      LYS  19  20.176   2.113  -5.246
  125    HD3  LYS  19           HD1      LYS  19  19.903   1.286  -3.709
  126    HE2  LYS  19           HE2      LYS  19  19.851   3.426  -2.529
  127    HE3  LYS  19           HE1      LYS  19  20.230   4.286  -4.022
  128    HZ1  LYS  19           HZ1      LYS  19  17.764   2.800  -3.342
  129    HZ2  LYS  19           HZ2      LYS  19  18.155   3.211  -4.944
  130    HZ3  LYS  19           HZ3      LYS  19  17.920   4.430  -3.784
  131    H    PHE  20           HN       PHE  20  23.125  -0.145  -2.149
  132    HA   PHE  20           HA       PHE  20  25.937   0.616  -1.700
  133    HB2  PHE  20           HB2      PHE  20  23.496   1.386  -0.085
  134    HB3  PHE  20           HB1      PHE  20  25.154   1.597   0.477
  135    HD1  PHE  20           HD1      PHE  20  22.547   2.833  -1.747
  136    HD2  PHE  20           HD2      PHE  20  26.717   3.104  -0.757
  137    HE1  PHE  20           HE1      PHE  20  22.715   4.939  -3.040
  138    HE2  PHE  20           HE2      PHE  20  26.887   5.215  -2.047
  139    HZ   PHE  20           HZ       PHE  20  24.886   6.134  -3.189
  140    H    CYS  21           HN       CYS  21  26.456  -0.044   0.684
  141    HA   CYS  21           HA       CYS  21  26.961  -1.819   2.060
  142    HB2  CYS  21           HB2      CYS  21  25.119  -2.804   3.138
  143    HB3  CYS  21           HB1      CYS  21  24.476  -1.254   2.585
  Start of MODEL    7
    1    H1   ABA   1           HT1      ABU   1   5.272  -4.689  -2.559
    2    H2   ABA   1           HT2      ABU   1   3.822  -5.327  -3.173
    3    H3   ABA   1           HT3      ABU   1   4.559  -6.036  -1.815
    4    HA   ABA   1           HA       ABU   1   2.585  -4.608  -1.317
    5    HB2  ABA   1           HB2      ABU   1   4.319  -3.170   0.302
    6    HG1  ABA   1           HG1      ABU   1   4.054  -5.357   1.758
    7    HG3  ABA   1           HG3      ABU   1   2.637  -4.385   1.363
    8    HG2  ABA   1           HG2      ABU   1   2.982  -5.852   0.448
    9    H    DBU   2           HN       DHB   2   5.441  -3.034  -2.689
   10    HB   DBU   2           HB       DHB   2   4.698   0.210  -4.875
   11    HG1  DBU   2           HG1      DHB   2   3.231  -1.934  -5.778
   12    HG2  DBU   2           HG2      DHB   2   4.755  -2.761  -5.454
   13    HG3  DBU   2           HG3      DHB   2   4.699  -1.437  -6.619
   14    HA   PRO   3           HA       PRO   3   5.139   2.622  -1.395
   15    HB2  PRO   3           HB2      PRO   3   2.356   2.398  -0.349
   16    HB3  PRO   3           HB1      PRO   3   3.179   3.789  -1.083
   17    HG2  PRO   3           HG2      PRO   3   1.346   2.399  -2.420
   18    HG3  PRO   3           HG1      PRO   3   2.775   3.069  -3.226
   19    HD2  PRO   3           HD2      PRO   3   2.196   0.233  -2.470
   20    HD3  PRO   3           HD1      PRO   3   3.100   0.870  -3.863
   21    H    ALA   4           HN       ALA   4   3.365  -0.081   0.073
   22    HA   ALA   4           HA       ALA   4   4.275   0.605   2.748
   23    HB1  ALA   4           HB1      ALA   4   3.167  -1.683   3.243
   24    HB2  ALA   4           HB2      ALA   4   2.572  -1.587   1.586
   25    HB3  ALA   4           HB3      ALA   4   2.128  -0.344   2.756
   26    H    CYS   5           HN       CYS   5   5.182  -1.497   0.131
   27    HA   CYS   5           HA       CYS   5   6.895  -3.206   1.681
   28    HB2  CYS   5           HB2      CYS   5   6.318  -2.806  -1.219
   29    HB3  CYS   5           HB1      CYS   5   7.829  -3.606  -0.774
   30    H    PHE   6           HN       PHE   6   7.236  -0.176  -0.032
   31    HA   PHE   6           HA       PHE   6  10.011  -0.095  -0.351
   32    HB2  PHE   6           HB2      PHE   6   8.686   1.590  -1.401
   33    HB3  PHE   6           HB1      PHE   6   8.003   2.105   0.143
   34    HD1  PHE   6           HD1      PHE   6  11.537   1.273  -0.753
   35    HD2  PHE   6           HD2      PHE   6   8.757   4.312   0.465
   36    HE1  PHE   6           HE1      PHE   6  13.412   2.866  -0.449
   37    HE2  PHE   6           HE2      PHE   6  10.632   5.907   0.768
   38    HZ   PHE   6           HZ       PHE   6  12.960   5.184   0.310
   39    H    DBU   7           HN       DHB   7   8.040   1.051   2.416
   40    HB   DBU   7           HB       DHB   7   9.432   0.861   6.056
   41    HG1  DBU   7           HG1      DHB   7   6.974   0.014   4.659
   42    HG2  DBU   7           HG2      DHB   7   7.557  -0.556   6.222
   43    HG3  DBU   7           HG3      DHB   7   8.122  -1.322   4.738
   44    H    ILE   8           HN       ILE   8   9.876   2.945   5.670
   45    HA   ILE   8           HA       ILE   8  11.742   4.560   4.284
   46    HB   ILE   8           HB       ILE   8  11.110   4.307   7.230
   47   HG12  ILE   8          HG12      ILE   8  10.426   6.490   5.241
   48   HG13  ILE   8          HG11      ILE   8   9.344   5.142   5.606
   49   HG21  ILE   8          HG21      ILE   8  12.895   5.611   7.654
   50   HG22  ILE   8          HG22      ILE   8  12.254   6.831   6.553
   51   HG23  ILE   8          HG23      ILE   8  13.336   5.576   5.948
   52   HD11  ILE   8          HD11      ILE   8  10.352   6.370   8.040
   53   HD12  ILE   8          HD12      ILE   8   8.684   6.094   7.540
   54   HD13  ILE   8          HD13      ILE   8   9.530   7.551   7.020
   55    H    GLY   9           HN       GLY   9  12.166   2.002   6.717
   56    HA2  GLY   9           HA2      GLY   9  15.077   2.210   6.482
   57    HA3  GLY   9           HA1      GLY   9  14.192   1.200   7.620
   58    H    LEU  10           HN       LEU  10  12.476  -0.121   5.842
   59    HA   LEU  10           HA       LEU  10  14.089  -2.252   4.964
   60    HB2  LEU  10           HB2      LEU  10  11.742  -2.541   5.555
   61    HB3  LEU  10           HB1      LEU  10  11.255  -1.496   4.222
   62    HG   LEU  10           HG       LEU  10  11.131  -4.014   3.809
   63   HD11  LEU  10          HD11      LEU  10  11.765  -1.860   2.144
   64   HD12  LEU  10          HD12      LEU  10  11.187  -3.444   1.626
   65   HD13  LEU  10          HD13      LEU  10  12.918  -3.115   1.693
   66   HD21  LEU  10          HD21      LEU  10  13.128  -5.228   3.433
   67   HD22  LEU  10          HD22      LEU  10  13.459  -4.314   4.904
   68   HD23  LEU  10          HD23      LEU  10  14.105  -3.762   3.358
   69    H    GLY  11           HN       GLY  11  12.516   0.399   3.196
   70    HA2  GLY  11           HA2      GLY  11  13.324  -0.422   0.603
   71    HA3  GLY  11           HA1      GLY  11  12.818   1.204   1.058
   72    H    VAL  12           HN       VAL  12  14.799   1.578   3.087
   73    HA   VAL  12           HA       VAL  12  16.897   2.674   1.560
   74    HB   VAL  12           HB       VAL  12  16.614   2.029   4.500
   75   HG11  VAL  12          HG11      VAL  12  18.992   1.950   3.943
   76   HG12  VAL  12          HG12      VAL  12  18.632   3.437   4.821
   77   HG13  VAL  12          HG13      VAL  12  18.860   3.478   3.073
   78   HG21  VAL  12          HG21      VAL  12  16.009   4.262   4.737
   79   HG22  VAL  12          HG22      VAL  12  15.335   3.912   3.145
   80   HG23  VAL  12          HG23      VAL  12  16.877   4.758   3.282
   81    H    GLY  13           HN       GLY  13  16.720  -0.304   3.511
   82    HA2  GLY  13           HA2      GLY  13  19.387  -1.138   2.995
   83    HA3  GLY  13           HA1      GLY  13  18.072  -2.173   3.548
   84    H    ALA  14           HN       ALA  14  16.299  -1.735   1.375
   85    HA   ALA  14           HA       ALA  14  17.296  -3.651  -0.486
   86    HB1  ALA  14           HB1      ALA  14  14.954  -3.664  -0.128
   87    HB2  ALA  14           HB2      ALA  14  15.158  -2.988  -1.744
   88    HB3  ALA  14           HB3      ALA  14  14.826  -1.923  -0.379
   89    H    LEU  15           HN       LEU  15  16.854  -0.168  -0.510
   90    HA   LEU  15           HA       LEU  15  17.834   0.067  -3.255
   91    HB2  LEU  15           HB2      LEU  15  16.998   2.193  -1.279
   92    HB3  LEU  15           HB1      LEU  15  17.243   2.402  -3.006
   93    HG   LEU  15           HG       LEU  15  15.210   0.548  -1.770
   94   HD11  LEU  15          HD11      LEU  15  14.818   3.027  -1.457
   95   HD12  LEU  15          HD12      LEU  15  13.556   2.182  -2.354
   96   HD13  LEU  15          HD13      LEU  15  14.744   3.160  -3.214
   97   HD21  LEU  15          HD21      LEU  15  16.176   0.007  -4.085
   98   HD22  LEU  15          HD22      LEU  15  15.413   1.497  -4.637
   99   HD23  LEU  15          HD23      LEU  15  14.425   0.182  -4.000
  100    H    PHE  16           HN       PHE  16  18.536   1.714  -0.200
  101    HA   PHE  16           HA       PHE  16  21.131   2.558  -1.057
  102    HB2  PHE  16           HB2      PHE  16  19.859   3.908   0.493
  103    HB3  PHE  16           HB1      PHE  16  19.774   2.576   1.642
  104    HD1  PHE  16           HD1      PHE  16  22.084   4.964  -0.017
  105    HD2  PHE  16           HD2      PHE  16  21.595   2.027   3.077
  106    HE1  PHE  16           HE1      PHE  16  24.268   5.627   0.955
  107    HE2  PHE  16           HE2      PHE  16  23.779   2.691   4.053
  108    HZ   PHE  16           HZ       PHE  16  25.115   4.491   2.991
  109    H    DAL  17           HN       DAL  17  19.841  -0.116   0.781
  110    HA   DAL  17           HA       DAL  17  20.866  -1.845   1.911
  111    HB1  DAL  17           HB2      DAL  17  23.499  -0.460   1.365
  112    HB2  DAL  17           HB3      DAL  17  22.499  -0.156   2.780
  113    H    ALA  18           HN       ALA  18  20.547  -1.315  -1.098
  114    HA   ALA  18           HA       ALA  18  21.361  -3.894  -1.948
  115    HB1  ALA  18           HB1      ALA  18  19.947  -1.606  -3.070
  116    HB2  ALA  18           HB2      ALA  18  19.690  -3.331  -3.328
  117    HB3  ALA  18           HB3      ALA  18  20.910  -2.471  -4.267
  118    H    LYS  19           HN       LYS  19  22.823  -0.678  -2.597
  119    HA   LYS  19           HA       LYS  19  25.001  -2.077  -4.016
  120    HB2  LYS  19           HB2      LYS  19  25.677   0.317  -4.638
  121    HB3  LYS  19           HB1      LYS  19  24.207  -0.313  -5.379
  122    HG2  LYS  19           HG2      LYS  19  23.813   1.027  -2.774
  123    HG3  LYS  19           HG1      LYS  19  24.348   2.082  -4.084
  124    HD2  LYS  19           HD2      LYS  19  22.506   1.196  -5.508
  125    HD3  LYS  19           HD1      LYS  19  21.942   0.237  -4.140
  126    HE2  LYS  19           HE2      LYS  19  21.587   2.275  -2.827
  127    HE3  LYS  19           HE1      LYS  19  22.207   3.257  -4.153
  128    HZ1  LYS  19           HZ1      LYS  19  20.178   1.520  -5.079
  129    HZ2  LYS  19           HZ2      LYS  19  20.236   3.217  -5.123
  130    HZ3  LYS  19           HZ3      LYS  19  19.602   2.421  -3.762
  131    H    PHE  20           HN       PHE  20  24.220   0.008  -1.357
  132    HA   PHE  20           HA       PHE  20  27.004  -0.017  -0.429
  133    HB2  PHE  20           HB2      PHE  20  24.598   1.555   0.537
  134    HB3  PHE  20           HB1      PHE  20  26.221   1.670   1.215
  135    HD1  PHE  20           HD1      PHE  20  24.066   2.504  -1.632
  136    HD2  PHE  20           HD2      PHE  20  28.077   2.632  -0.097
  137    HE1  PHE  20           HE1      PHE  20  24.688   4.133  -3.395
  138    HE2  PHE  20           HE2      PHE  20  28.698   4.261  -1.861
  139    HZ   PHE  20           HZ       PHE  20  27.004   5.011  -3.510
  140    H    CYS  21           HN       CYS  21  27.033  -0.164   2.092
  141    HA   CYS  21           HA       CYS  21  26.920  -1.633   3.869
  142    HB2  CYS  21           HB2      CYS  21  24.793  -1.850   4.803
  143    HB3  CYS  21           HB1      CYS  21  24.601  -0.431   3.774
  Start of MODEL    8
    1    H1   ABA   1           HT1      ABU   1   3.626  -5.542  -2.852
    2    H2   ABA   1           HT2      ABU   1   4.335  -6.299  -1.506
    3    H3   ABA   1           HT3      ABU   1   5.126  -5.004  -2.272
    4    HA   ABA   1           HA       ABU   1   2.590  -4.880  -0.734
    5    HB2  ABA   1           HB2      ABU   1   4.447  -3.034   0.233
    6    HG1  ABA   1           HG1      ABU   1   4.487  -4.512   2.200
    7    HG3  ABA   1           HG3      ABU   1   2.855  -4.412   1.540
    8    HG2  ABA   1           HG2      ABU   1   3.847  -5.836   1.228
    9    H    DBU   2           HN       DHB   2   5.057  -3.050  -2.561
   10    HB   DBU   2           HB       DHB   2   3.354  -0.296  -4.998
   11    HG1  DBU   2           HG1      DHB   2   2.596  -2.029  -6.391
   12    HG2  DBU   2           HG2      DHB   2   1.983  -2.819  -4.937
   13    HG3  DBU   2           HG3      DHB   2   3.608  -3.183  -5.519
   14    HA   PRO   3           HA       PRO   3   4.906   2.427  -2.017
   15    HB2  PRO   3           HB2      PRO   3   2.705   3.323  -0.614
   16    HB3  PRO   3           HB1      PRO   3   2.943   3.554  -2.357
   17    HG2  PRO   3           HG2      PRO   3   1.277   1.553  -0.922
   18    HG3  PRO   3           HG1      PRO   3   0.955   2.421  -2.433
   19    HD2  PRO   3           HD2      PRO   3   1.780  -0.180  -2.382
   20    HD3  PRO   3           HD1      PRO   3   2.180   0.929  -3.713
   21    H    ALA   4           HN       ALA   4   3.337  -0.019  -0.058
   22    HA   ALA   4           HA       ALA   4   4.426   1.041   2.432
   23    HB1  ALA   4           HB1      ALA   4   2.340   0.085   2.818
   24    HB2  ALA   4           HB2      ALA   4   3.425  -1.232   3.267
   25    HB3  ALA   4           HB3      ALA   4   2.628  -1.244   1.694
   26    H    CYS   5           HN       CYS   5   5.157  -1.377   0.039
   27    HA   CYS   5           HA       CYS   5   6.931  -2.970   1.575
   28    HB2  CYS   5           HB2      CYS   5   6.328  -2.609  -1.311
   29    HB3  CYS   5           HB1      CYS   5   7.895  -3.316  -0.907
   30    H    PHE   6           HN       PHE   6   7.274   0.094  -0.044
   31    HA   PHE   6           HA       PHE   6  10.042   0.190  -0.408
   32    HB2  PHE   6           HB2      PHE   6   8.355   1.884  -1.208
   33    HB3  PHE   6           HB1      PHE   6   8.293   2.509   0.438
   34    HD1  PHE   6           HD1      PHE   6   9.033   4.559  -1.207
   35    HD2  PHE   6           HD2      PHE   6  11.532   1.289   0.028
   36    HE1  PHE   6           HE1      PHE   6  11.052   5.927  -1.663
   37    HE2  PHE   6           HE2      PHE   6  13.548   2.659  -0.425
   38    HZ   PHE   6           HZ       PHE   6  13.308   4.978  -1.271
   39    H    DBU   7           HN       DHB   7   8.111   1.189   2.444
   40    HB   DBU   7           HB       DHB   7   9.506   0.824   6.062
   41    HG1  DBU   7           HG1      DHB   7   7.995  -1.018   6.015
   42    HG2  DBU   7           HG2      DHB   7   7.911  -0.985   4.254
   43    HG3  DBU   7           HG3      DHB   7   6.960   0.156   5.205
   44    H    ILE   8           HN       ILE   8  10.037   2.824   5.847
   45    HA   ILE   8           HA       ILE   8  11.881   4.534   4.509
   46    HB   ILE   8           HB       ILE   8  10.562   5.293   6.436
   47   HG12  ILE   8          HG12      ILE   8  13.503   5.263   7.168
   48   HG13  ILE   8          HG11      ILE   8  12.852   6.261   5.865
   49   HG21  ILE   8          HG21      ILE   8  10.931   2.934   7.562
   50   HG22  ILE   8          HG22      ILE   8  10.742   4.370   8.568
   51   HG23  ILE   8          HG23      ILE   8  12.349   3.714   8.260
   52   HD11  ILE   8          HD11      ILE   8  12.443   6.495   8.819
   53   HD12  ILE   8          HD12      ILE   8  11.121   6.978   7.755
   54   HD13  ILE   8          HD13      ILE   8  12.695   7.762   7.618
   55    H    GLY   9           HN       GLY   9  12.271   1.812   6.753
   56    HA2  GLY   9           HA2      GLY   9  15.190   2.004   6.524
   57    HA3  GLY   9           HA1      GLY   9  14.301   0.972   7.640
   58    H    LEU  10           HN       LEU  10  12.535  -0.248   5.829
   59    HA   LEU  10           HA       LEU  10  14.093  -2.386   4.874
   60    HB2  LEU  10           HB2      LEU  10  11.721  -2.593   5.476
   61    HB3  LEU  10           HB1      LEU  10  11.282  -1.557   4.118
   62    HG   LEU  10           HG       LEU  10  11.098  -4.068   3.728
   63   HD11  LEU  10          HD11      LEU  10  12.985  -3.246   1.665
   64   HD12  LEU  10          HD12      LEU  10  11.836  -1.966   2.054
   65   HD13  LEU  10          HD13      LEU  10  11.252  -3.548   1.537
   66   HD21  LEU  10          HD21      LEU  10  13.153  -5.279   3.265
   67   HD22  LEU  10          HD22      LEU  10  13.265  -4.593   4.886
   68   HD23  LEU  10          HD23      LEU  10  14.113  -3.825   3.544
   69    H    GLY  11           HN       GLY  11  12.582   0.359   3.195
   70    HA2  GLY  11           HA2      GLY  11  13.370  -0.400   0.574
   71    HA3  GLY  11           HA1      GLY  11  12.896   1.217   1.082
   72    H    VAL  12           HN       VAL  12  14.861   1.548   3.098
   73    HA   VAL  12           HA       VAL  12  16.979   2.624   1.592
   74    HB   VAL  12           HB       VAL  12  16.655   1.977   4.525
   75   HG11  VAL  12          HG11      VAL  12  18.930   3.520   3.256
   76   HG12  VAL  12          HG12      VAL  12  19.066   1.846   3.797
   77   HG13  VAL  12          HG13      VAL  12  18.728   3.126   4.963
   78   HG21  VAL  12          HG21      VAL  12  16.929   4.650   3.135
   79   HG22  VAL  12          HG22      VAL  12  16.307   4.325   4.754
   80   HG23  VAL  12          HG23      VAL  12  15.368   3.855   3.337
   81    H    GLY  13           HN       GLY  13  16.756  -0.371   3.509
   82    HA2  GLY  13           HA2      GLY  13  19.416  -1.231   3.018
   83    HA3  GLY  13           HA1      GLY  13  18.081  -2.257   3.536
   84    H    ALA  14           HN       ALA  14  16.345  -1.791   1.349
   85    HA   ALA  14           HA       ALA  14  17.369  -3.682  -0.526
   86    HB1  ALA  14           HB1      ALA  14  15.190  -2.526  -1.746
   87    HB2  ALA  14           HB2      ALA  14  14.853  -2.260  -0.037
   88    HB3  ALA  14           HB3      ALA  14  15.124  -3.896  -0.639
   89    H    LEU  15           HN       LEU  15  16.891  -0.199  -0.521
   90    HA   LEU  15           HA       LEU  15  17.915   0.066  -3.246
   91    HB2  LEU  15           HB2      LEU  15  17.030   2.174  -1.270
   92    HB3  LEU  15           HB1      LEU  15  17.296   2.393  -2.993
   93    HG   LEU  15           HG       LEU  15  15.252   0.550  -1.762
   94   HD11  LEU  15          HD11      LEU  15  14.826   3.095  -3.334
   95   HD12  LEU  15          HD12      LEU  15  14.838   3.034  -1.572
   96   HD13  LEU  15          HD13      LEU  15  13.609   2.149  -2.477
   97   HD21  LEU  15          HD21      LEU  15  16.405   0.767  -4.428
   98   HD22  LEU  15          HD22      LEU  15  14.662   1.035  -4.458
   99   HD23  LEU  15          HD23      LEU  15  15.312  -0.460  -3.785
  100    H    PHE  16           HN       PHE  16  18.569   1.688  -0.162
  101    HA   PHE  16           HA       PHE  16  21.165   2.563  -0.987
  102    HB2  PHE  16           HB2      PHE  16  19.889   3.893   0.572
  103    HB3  PHE  16           HB1      PHE  16  19.779   2.543   1.699
  104    HD1  PHE  16           HD1      PHE  16  22.153   4.900   0.074
  105    HD2  PHE  16           HD2      PHE  16  21.547   1.998   3.181
  106    HE1  PHE  16           HE1      PHE  16  24.332   5.528   1.083
  107    HE2  PHE  16           HE2      PHE  16  23.724   2.626   4.192
  108    HZ   PHE  16           HZ       PHE  16  25.117   4.390   3.143
  109    H    DAL  17           HN       DAL  17  19.881  -0.142   0.807
  110    HA   DAL  17           HA       DAL  17  20.906  -1.884   1.915
  111    HB1  DAL  17           HB2      DAL  17  23.529  -0.462   1.420
  112    HB2  DAL  17           HB3      DAL  17  22.511  -0.200   2.831
  113    H    ALA  18           HN       ALA  18  20.601  -1.307  -1.083
  114    HA   ALA  18           HA       ALA  18  21.438  -3.859  -1.977
  115    HB1  ALA  18           HB1      ALA  18  19.805  -3.298  -3.396
  116    HB2  ALA  18           HB2      ALA  18  21.009  -2.350  -4.266
  117    HB3  ALA  18           HB3      ALA  18  19.993  -1.580  -3.047
  118    H    LYS  19           HN       LYS  19  22.885  -0.626  -2.543
  119    HA   LYS  19           HA       LYS  19  25.094  -1.977  -3.963
  120    HB2  LYS  19           HB2      LYS  19  25.756   0.431  -4.532
  121    HB3  LYS  19           HB1      LYS  19  24.298  -0.195  -5.301
  122    HG2  LYS  19           HG2      LYS  19  23.841   1.077  -2.680
  123    HG3  LYS  19           HG1      LYS  19  24.424   2.174  -3.932
  124    HD2  LYS  19           HD2      LYS  19  22.626   1.338  -5.448
  125    HD3  LYS  19           HD1      LYS  19  22.007   0.355  -4.121
  126    HE2  LYS  19           HE2      LYS  19  21.611   2.356  -2.777
  127    HE3  LYS  19           HE1      LYS  19  22.316   3.371  -4.036
  128    HZ1  LYS  19           HZ1      LYS  19  20.059   1.586  -4.665
  129    HZ2  LYS  19           HZ2      LYS  19  20.540   3.020  -5.438
  130    HZ3  LYS  19           HZ3      LYS  19  19.770   3.084  -3.925
  131    H    PHE  20           HN       PHE  20  24.266   0.053  -1.278
  132    HA   PHE  20           HA       PHE  20  27.038   0.055  -0.318
  133    HB2  PHE  20           HB2      PHE  20  24.605   1.558   0.686
  134    HB3  PHE  20           HB1      PHE  20  26.243   1.721   1.315
  135    HD1  PHE  20           HD1      PHE  20  23.951   2.588  -1.392
  136    HD2  PHE  20           HD2      PHE  20  28.053   2.661  -0.118
  137    HE1  PHE  20           HE1      PHE  20  24.472   4.246  -3.162
  138    HE2  PHE  20           HE2      PHE  20  28.573   4.319  -1.888
  139    HZ   PHE  20           HZ       PHE  20  26.783   5.111  -3.410
  140    H    CYS  21           HN       CYS  21  27.030  -0.108   2.205
  141    HA   CYS  21           HA       CYS  21  26.924  -1.592   3.968
  142    HB2  CYS  21           HB2      CYS  21  24.783  -1.888   4.855
  143    HB3  CYS  21           HB1      CYS  21  24.580  -0.455   3.849
  Start of MODEL    9
    1    H1   ABA   1           HT1      ABU   1   6.323  -5.182  -2.977
    2    H2   ABA   1           HT2      ABU   1   5.176  -5.684  -4.126
    3    H3   ABA   1           HT3      ABU   1   4.950  -6.047  -2.482
    4    HA   ABA   1           HA       ABU   1   3.615  -4.125  -3.477
    5    HB2  ABA   1           HB2      ABU   1   4.334  -2.747  -1.293
    6    HG1  ABA   1           HG1      ABU   1   2.254  -3.633  -1.010
    7    HG3  ABA   1           HG3      ABU   1   2.695  -5.155  -1.786
    8    HG2  ABA   1           HG2      ABU   1   3.102  -4.879  -0.092
    9    H    DBU   2           HN       DHB   2   3.887  -1.619  -3.236
   10    HB   DBU   2           HB       DHB   2   6.115   0.694  -5.700
   11    HG1  DBU   2           HG1      DHB   2   4.333  -1.738  -6.279
   12    HG2  DBU   2           HG2      DHB   2   5.799  -1.416  -7.206
   13    HG3  DBU   2           HG3      DHB   2   4.448  -0.284  -7.272
   14    HA   PRO   3           HA       PRO   3   7.208   2.635  -2.059
   15    HB2  PRO   3           HB2      PRO   3   4.496   3.622  -1.300
   16    HB3  PRO   3           HB1      PRO   3   5.910   4.530  -1.874
   17    HG2  PRO   3           HG2      PRO   3   3.821   4.081  -3.456
   18    HG3  PRO   3           HG1      PRO   3   5.479   4.063  -4.083
   19    HD2  PRO   3           HD2      PRO   3   3.656   1.756  -3.518
   20    HD3  PRO   3           HD1      PRO   3   4.877   1.945  -4.797
   21    H    ALA   4           HN       ALA   4   4.297   0.950  -0.940
   22    HA   ALA   4           HA       ALA   4   4.851   1.217   1.848
   23    HB1  ALA   4           HB1      ALA   4   3.289  -1.136   1.113
   24    HB2  ALA   4           HB2      ALA   4   2.709   0.332   0.326
   25    HB3  ALA   4           HB3      ALA   4   2.827   0.261   2.085
   26    H    CYS   5           HN       CYS   5   5.832  -1.019  -0.640
   27    HA   CYS   5           HA       CYS   5   6.854  -2.979   1.245
   28    HB2  CYS   5           HB2      CYS   5   6.659  -2.753  -1.725
   29    HB3  CYS   5           HB1      CYS   5   7.892  -3.826  -1.047
   30    H    PHE   6           HN       PHE   6   7.936  -0.093  -0.213
   31    HA   PHE   6           HA       PHE   6  10.674  -0.560  -0.557
   32    HB2  PHE   6           HB2      PHE   6   9.882   1.492  -1.380
   33    HB3  PHE   6           HB1      PHE   6   9.071   1.893   0.135
   34    HD1  PHE   6           HD1      PHE   6  12.430   0.414   0.141
   35    HD2  PHE   6           HD2      PHE   6  10.198   4.081   0.289
   36    HE1  PHE   6           HE1      PHE   6  14.454   1.609   0.919
   37    HE2  PHE   6           HE2      PHE   6  12.226   5.281   1.064
   38    HZ   PHE   6           HZ       PHE   6  14.354   4.047   1.378
   39    H    DBU   7           HN       DHB   7   8.939   0.648   2.330
   40    HB   DBU   7           HB       DHB   7  10.637  -0.636   5.763
   41    HG1  DBU   7           HG1      DHB   7  10.427  -2.692   3.827
   42    HG2  DBU   7           HG2      DHB   7   8.776  -2.082   3.942
   43    HG3  DBU   7           HG3      DHB   7   9.585  -2.714   5.377
   44    H    ILE   8           HN       ILE   8   9.354   1.839   5.596
   45    HA   ILE   8           HA       ILE   8  10.698   4.227   4.854
   46    HB   ILE   8           HB       ILE   8   9.290   3.427   7.409
   47   HG12  ILE   8          HG12      ILE   8   7.908   3.567   5.335
   48   HG13  ILE   8          HG11      ILE   8   7.481   4.814   6.509
   49   HG21  ILE   8          HG21      ILE   8   9.225   5.987   7.703
   50   HG22  ILE   8          HG22      ILE   8  10.535   6.034   6.521
   51   HG23  ILE   8          HG23      ILE   8  10.757   5.183   8.050
   52   HD11  ILE   8          HD11      ILE   8   8.412   5.143   3.809
   53   HD12  ILE   8          HD12      ILE   8   9.575   5.875   4.913
   54   HD13  ILE   8          HD13      ILE   8   7.886   6.381   4.950
   55    H    GLY   9           HN       GLY   9  11.291   1.823   7.394
   56    HA2  GLY   9           HA2      GLY   9  13.735   3.213   8.205
   57    HA3  GLY   9           HA1      GLY   9  13.016   1.819   8.999
   58    H    LEU  10           HN       LEU  10  13.384  -0.275   8.154
   59    HA   LEU  10           HA       LEU  10  15.976  -0.747   7.183
   60    HB2  LEU  10           HB2      LEU  10  15.466  -2.968   7.402
   61    HB3  LEU  10           HB1      LEU  10  14.117  -2.311   8.329
   62    HG   LEU  10           HG       LEU  10  12.871  -2.224   6.057
   63   HD11  LEU  10          HD11      LEU  10  15.407  -3.498   5.342
   64   HD12  LEU  10          HD12      LEU  10  14.171  -2.795   4.297
   65   HD13  LEU  10          HD13      LEU  10  14.008  -4.459   4.865
   66   HD21  LEU  10          HD21      LEU  10  11.892  -3.822   7.356
   67   HD22  LEU  10          HD22      LEU  10  13.442  -4.498   7.858
   68   HD23  LEU  10          HD23      LEU  10  12.749  -4.945   6.299
   69    H    GLY  11           HN       GLY  11  12.913  -0.311   5.531
   70    HA2  GLY  11           HA2      GLY  11  13.206  -1.344   3.064
   71    HA3  GLY  11           HA1      GLY  11  12.574   0.278   3.311
   72    H    VAL  12           HN       VAL  12  15.075   1.318   4.387
   73    HA   VAL  12           HA       VAL  12  16.255   2.258   2.001
   74    HB   VAL  12           HB       VAL  12  16.374   3.434   4.194
   75   HG11  VAL  12          HG11      VAL  12  16.824   1.302   5.493
   76   HG12  VAL  12          HG12      VAL  12  17.847   2.671   5.930
   77   HG13  VAL  12          HG13      VAL  12  18.486   1.384   4.906
   78   HG21  VAL  12          HG21      VAL  12  17.984   3.946   2.370
   79   HG22  VAL  12          HG22      VAL  12  19.081   2.722   3.012
   80   HG23  VAL  12          HG23      VAL  12  18.714   4.164   3.961
   81    H    GLY  13           HN       GLY  13  17.175  -0.350   4.223
   82    HA2  GLY  13           HA2      GLY  13  19.685  -0.981   3.153
   83    HA3  GLY  13           HA1      GLY  13  18.626  -2.121   3.978
   84    H    ALA  14           HN       ALA  14  16.471  -2.288   2.331
   85    HA   ALA  14           HA       ALA  14  17.433  -3.938   0.205
   86    HB1  ALA  14           HB1      ALA  14  14.901  -3.383   1.486
   87    HB2  ALA  14           HB2      ALA  14  15.387  -4.795   0.547
   88    HB3  ALA  14           HB3      ALA  14  14.719  -3.382  -0.269
   89    H    LEU  15           HN       LEU  15  16.144  -0.671   0.435
   90    HA   LEU  15           HA       LEU  15  15.922  -0.279  -2.396
   91    HB2  LEU  15           HB2      LEU  15  14.540   1.085  -1.019
   92    HB3  LEU  15           HB1      LEU  15  15.908   1.607  -0.035
   93    HG   LEU  15           HG       LEU  15  16.861   2.544  -2.270
   94   HD11  LEU  15          HD11      LEU  15  14.065   1.787  -2.965
   95   HD12  LEU  15          HD12      LEU  15  15.506   1.826  -3.984
   96   HD13  LEU  15          HD13      LEU  15  14.664   3.324  -3.589
   97   HD21  LEU  15          HD21      LEU  15  15.997   3.884  -0.334
   98   HD22  LEU  15          HD22      LEU  15  14.395   3.835  -1.070
   99   HD23  LEU  15          HD23      LEU  15  15.717   4.657  -1.896
  100    H    PHE  16           HN       PHE  16  18.050   1.350  -0.044
  101    HA   PHE  16           HA       PHE  16  19.986   1.818  -2.197
  102    HB2  PHE  16           HB2      PHE  16  19.326   3.113   0.374
  103    HB3  PHE  16           HB1      PHE  16  21.040   3.071  -0.032
  104    HD1  PHE  16           HD1      PHE  16  17.686   4.084  -1.293
  105    HD2  PHE  16           HD2      PHE  16  21.942   4.451  -1.744
  106    HE1  PHE  16           HE1      PHE  16  17.354   5.935  -2.909
  107    HE2  PHE  16           HE2      PHE  16  21.609   6.304  -3.362
  108    HZ   PHE  16           HZ       PHE  16  19.315   7.046  -3.944
  109    H    DAL  17           HN       DAL  17  19.599   0.062   0.800
  110    HA   DAL  17           HA       DAL  17  20.942  -1.433   1.895
  111    HB1  DAL  17           HB2      DAL  17  23.220  -0.085   0.455
  112    HB2  DAL  17           HB3      DAL  17  22.538   0.475   1.967
  113    H    ALA  18           HN       ALA  18  19.915  -1.724  -0.965
  114    HA   ALA  18           HA       ALA  18  20.850  -4.381  -1.357
  115    HB1  ALA  18           HB1      ALA  18  19.602  -4.049  -3.618
  116    HB2  ALA  18           HB2      ALA  18  19.102  -2.507  -2.926
  117    HB3  ALA  18           HB3      ALA  18  18.669  -4.014  -2.121
  118    H    LYS  19           HN       LYS  19  21.521  -1.306  -2.997
  119    HA   LYS  19           HA       LYS  19  23.550  -2.646  -4.652
  120    HB2  LYS  19           HB2      LYS  19  23.540  -0.634  -6.010
  121    HB3  LYS  19           HB1      LYS  19  21.885  -1.210  -5.800
  122    HG2  LYS  19           HG2      LYS  19  22.617   0.574  -3.640
  123    HG3  LYS  19           HG1      LYS  19  22.866   1.357  -5.197
  124    HD2  LYS  19           HD2      LYS  19  20.536   0.537  -5.831
  125    HD3  LYS  19           HD1      LYS  19  20.323   0.113  -4.132
  126    HE2  LYS  19           HE2      LYS  19  20.988   2.518  -3.587
  127    HE3  LYS  19           HE1      LYS  19  20.816   2.855  -5.308
  128    HZ1  LYS  19           HZ1      LYS  19  18.741   1.987  -3.393
  129    HZ2  LYS  19           HZ2      LYS  19  18.531   1.804  -5.068
  130    HZ3  LYS  19           HZ3      LYS  19  18.744   3.351  -4.400
  131    H    PHE  20           HN       PHE  20  23.102  -0.254  -2.151
  132    HA   PHE  20           HA       PHE  20  26.004   0.252  -2.073
  133    HB2  PHE  20           HB2      PHE  20  23.705   1.784  -0.845
  134    HB3  PHE  20           HB1      PHE  20  25.409   2.170  -0.605
  135    HD1  PHE  20           HD1      PHE  20  22.567   2.395  -2.848
  136    HD2  PHE  20           HD2      PHE  20  26.838   2.773  -2.593
  137    HE1  PHE  20           HE1      PHE  20  22.583   3.655  -4.982
  138    HE2  PHE  20           HE2      PHE  20  26.854   4.036  -4.728
  139    HZ   PHE  20           HZ       PHE  20  24.726   4.478  -5.922
  140    H    CYS  21           HN       CYS  21  26.545   0.857   0.399
  141    HA   CYS  21           HA       CYS  21  27.102  -0.068   2.441
  142    HB2  CYS  21           HB2      CYS  21  25.264  -0.581   3.849
  143    HB3  CYS  21           HB1      CYS  21  24.638   0.613   2.712
  Start of MODEL   10
    1    H1   ABA   1           HT1      ABU   1   4.713  -4.899  -2.755
    2    H2   ABA   1           HT2      ABU   1   3.312  -5.846  -2.594
    3    H3   ABA   1           HT3      ABU   1   4.628  -6.086  -1.547
    4    HA   ABA   1           HA       ABU   1   2.563  -4.729  -0.768
    5    HB2  ABA   1           HB2      ABU   1   4.508  -3.138   0.309
    6    HG1  ABA   1           HG1      ABU   1   4.110  -6.053   1.027
    7    HG3  ABA   1           HG3      ABU   1   4.567  -4.740   2.112
    8    HG2  ABA   1           HG2      ABU   1   2.945  -4.790   1.421
    9    H    DBU   2           HN       DHB   2   5.181  -3.129  -2.601
   10    HB   DBU   2           HB       DHB   2   3.934  -0.187  -5.015
   11    HG1  DBU   2           HG1      DHB   2   2.451  -2.402  -5.559
   12    HG2  DBU   2           HG2      DHB   2   3.993  -3.212  -5.283
   13    HG3  DBU   2           HG3      DHB   2   3.842  -2.023  -6.576
   14    HA   PRO   3           HA       PRO   3   4.793   2.546  -1.834
   15    HB2  PRO   3           HB2      PRO   3   2.168   2.371  -0.431
   16    HB3  PRO   3           HB1      PRO   3   2.855   3.704  -1.380
   17    HG2  PRO   3           HG2      PRO   3   0.906   2.171  -2.348
   18    HG3  PRO   3           HG1      PRO   3   2.205   2.789  -3.384
   19    HD2  PRO   3           HD2      PRO   3   1.804   0.023  -2.317
   20    HD3  PRO   3           HD1      PRO   3   2.506   0.547  -3.865
   21    H    ALA   4           HN       ALA   4   3.290  -0.047   0.069
   22    HA   ALA   4           HA       ALA   4   4.489   0.888   2.546
   23    HB1  ALA   4           HB1      ALA   4   2.212  -0.343   2.238
   24    HB2  ALA   4           HB2      ALA   4   3.229  -0.762   3.615
   25    HB3  ALA   4           HB3      ALA   4   3.201  -1.802   2.191
   26    H    CYS   5           HN       CYS   5   5.161  -1.410   0.027
   27    HA   CYS   5           HA       CYS   5   6.992  -3.060   1.430
   28    HB2  CYS   5           HB2      CYS   5   6.293  -2.567  -1.411
   29    HB3  CYS   5           HB1      CYS   5   7.886  -3.258  -1.099
   30    H    PHE   6           HN       PHE   6   7.296   0.042  -0.172
   31    HA   PHE   6           HA       PHE   6  10.071   0.158  -0.501
   32    HB2  PHE   6           HB2      PHE   6   8.419   1.831  -1.362
   33    HB3  PHE   6           HB1      PHE   6   8.255   2.450   0.279
   34    HD1  PHE   6           HD1      PHE   6   9.025   4.524  -1.310
   35    HD2  PHE   6           HD2      PHE   6  11.546   1.310   0.025
   36    HE1  PHE   6           HE1      PHE   6  11.025   5.948  -1.651
   37    HE2  PHE   6           HE2      PHE   6  13.542   2.737  -0.314
   38    HZ   PHE   6           HZ       PHE   6  13.283   5.056  -1.151
   39    H    DBU   7           HN       DHB   7   8.084   1.176   2.304
   40    HB   DBU   7           HB       DHB   7   9.406   0.877   5.954
   41    HG1  DBU   7           HG1      DHB   7   8.001  -1.129   4.296
   42    HG2  DBU   7           HG2      DHB   7   6.898   0.153   4.800
   43    HG3  DBU   7           HG3      DHB   7   7.757  -0.798   6.012
   44    H    ILE   8           HN       ILE   8   9.912   2.901   5.698
   45    HA   ILE   8           HA       ILE   8  11.781   4.586   4.362
   46    HB   ILE   8           HB       ILE   8  10.316   5.226   6.325
   47   HG12  ILE   8          HG12      ILE   8  12.097   6.659   7.353
   48   HG13  ILE   8          HG11      ILE   8  13.308   5.719   6.477
   49   HG21  ILE   8          HG21      ILE   8  12.505   4.020   8.013
   50   HG22  ILE   8          HG22      ILE   8  11.068   3.089   7.592
   51   HG23  ILE   8          HG23      ILE   8  10.911   4.582   8.516
   52   HD11  ILE   8          HD11      ILE   8  12.914   6.848   4.565
   53   HD12  ILE   8          HD12      ILE   8  11.945   7.969   5.520
   54   HD13  ILE   8          HD13      ILE   8  11.174   6.606   4.709
   55    H    GLY   9           HN       GLY   9  12.132   1.935   6.695
   56    HA2  GLY   9           HA2      GLY   9  15.054   2.145   6.530
   57    HA3  GLY   9           HA1      GLY   9  14.148   1.137   7.653
   58    H    LEU  10           HN       LEU  10  12.430  -0.133   5.828
   59    HA   LEU  10           HA       LEU  10  14.015  -2.292   4.970
   60    HB2  LEU  10           HB2      LEU  10  11.641  -2.514   5.517
   61    HB3  LEU  10           HB1      LEU  10  11.217  -1.482   4.154
   62    HG   LEU  10           HG       LEU  10  11.049  -4.000   3.775
   63   HD11  LEU  10          HD11      LEU  10  11.352  -3.617   1.543
   64   HD12  LEU  10          HD12      LEU  10  12.977  -2.972   1.774
   65   HD13  LEU  10          HD13      LEU  10  11.572  -1.950   2.076
   66   HD21  LEU  10          HD21      LEU  10  13.031  -5.264   3.477
   67   HD22  LEU  10          HD22      LEU  10  13.330  -4.340   4.950
   68   HD23  LEU  10          HD23      LEU  10  14.041  -3.819   3.423
   69    H    GLY  11           HN       GLY  11  12.546   0.410   3.186
   70    HA2  GLY  11           HA2      GLY  11  13.390  -0.419   0.604
   71    HA3  GLY  11           HA1      GLY  11  12.910   1.212   1.059
   72    H    VAL  12           HN       VAL  12  14.837   1.587   3.107
   73    HA   VAL  12           HA       VAL  12  16.985   2.624   1.617
   74    HB   VAL  12           HB       VAL  12  16.624   2.026   4.558
   75   HG11  VAL  12          HG11      VAL  12  18.989   1.925   4.210
   76   HG12  VAL  12          HG12      VAL  12  18.641   3.540   4.827
   77   HG13  VAL  12          HG13      VAL  12  18.949   3.301   3.107
   78   HG21  VAL  12          HG21      VAL  12  16.950   4.739   3.326
   79   HG22  VAL  12          HG22      VAL  12  16.019   4.261   4.746
   80   HG23  VAL  12          HG23      VAL  12  15.407   3.907   3.130
   81    H    GLY  13           HN       GLY  13  16.720  -0.323   3.602
   82    HA2  GLY  13           HA2      GLY  13  19.382  -1.210   3.157
   83    HA3  GLY  13           HA1      GLY  13  18.036  -2.214   3.693
   84    H    ALA  14           HN       ALA  14  16.324  -1.742   1.471
   85    HA   ALA  14           HA       ALA  14  17.313  -3.708  -0.343
   86    HB1  ALA  14           HB1      ALA  14  14.985  -1.851  -0.831
   87    HB2  ALA  14           HB2      ALA  14  14.876  -3.232   0.260
   88    HB3  ALA  14           HB3      ALA  14  15.223  -3.484  -1.451
   89    H    LEU  15           HN       LEU  15  16.950  -0.212  -0.427
   90    HA   LEU  15           HA       LEU  15  18.016  -0.053  -3.148
   91    HB2  LEU  15           HB2      LEU  15  17.150   2.132  -1.248
   92    HB3  LEU  15           HB1      LEU  15  17.439   2.291  -2.973
   93    HG   LEU  15           HG       LEU  15  15.349   0.524  -1.711
   94   HD11  LEU  15          HD11      LEU  15  14.832   2.922  -3.441
   95   HD12  LEU  15          HD12      LEU  15  15.115   3.118  -1.711
   96   HD13  LEU  15          HD13      LEU  15  13.759   2.144  -2.279
   97   HD21  LEU  15          HD21      LEU  15  14.586   0.161  -4.014
   98   HD22  LEU  15          HD22      LEU  15  16.275  -0.323  -3.867
   99   HD23  LEU  15          HD23      LEU  15  15.861   1.217  -4.622
  100    H    PHE  16           HN       PHE  16  18.687   1.587  -0.067
  101    HA   PHE  16           HA       PHE  16  21.288   2.430  -0.908
  102    HB2  PHE  16           HB2      PHE  16  20.020   3.757   0.673
  103    HB3  PHE  16           HB1      PHE  16  19.948   2.405   1.801
  104    HD1  PHE  16           HD1      PHE  16  22.192   4.887   0.214
  105    HD2  PHE  16           HD2      PHE  16  21.832   1.768   3.144
  106    HE1  PHE  16           HE1      PHE  16  24.391   5.530   1.167
  107    HE2  PHE  16           HE2      PHE  16  24.029   2.412   4.101
  108    HZ   PHE  16           HZ       PHE  16  25.309   4.293   3.113
  109    H    DAL  17           HN       DAL  17  19.985  -0.257   0.914
  110    HA   DAL  17           HA       DAL  17  20.994  -2.056   1.940
  111    HB1  DAL  17           HB2      DAL  17  23.587  -0.540   1.559
  112    HB2  DAL  17           HB3      DAL  17  22.574  -0.472   2.995
  113    H    ALA  18           HN       ALA  18  20.567  -1.535  -0.952
  114    HA   ALA  18           HA       ALA  18  21.656  -3.966  -1.952
  115    HB1  ALA  18           HB1      ALA  18  19.973  -1.768  -3.015
  116    HB2  ALA  18           HB2      ALA  18  19.704  -3.510  -3.032
  117    HB3  ALA  18           HB3      ALA  18  20.810  -2.777  -4.194
  118    H    LYS  19           HN       LYS  19  22.599  -0.566  -2.424
  119    HA   LYS  19           HA       LYS  19  24.761  -1.440  -4.226
  120    HB2  LYS  19           HB2      LYS  19  24.466   1.430  -3.564
  121    HB3  LYS  19           HB1      LYS  19  24.732   0.658  -5.125
  122    HG2  LYS  19           HG2      LYS  19  22.098   0.718  -3.624
  123    HG3  LYS  19           HG1      LYS  19  22.503   1.719  -5.018
  124    HD2  LYS  19           HD2      LYS  19  22.872  -0.381  -6.342
  125    HD3  LYS  19           HD1      LYS  19  22.282  -1.301  -4.955
  126    HE2  LYS  19           HE2      LYS  19  20.292  -1.049  -6.090
  127    HE3  LYS  19           HE1      LYS  19  20.263   0.435  -5.136
  128    HZ1  LYS  19           HZ1      LYS  19  21.312   1.583  -7.015
  129    HZ2  LYS  19           HZ2      LYS  19  19.798   0.930  -7.427
  130    HZ3  LYS  19           HZ3      LYS  19  21.225   0.158  -7.931
  131    H    PHE  20           HN       PHE  20  24.047   0.052  -1.188
  132    HA   PHE  20           HA       PHE  20  26.900   0.151  -0.473
  133    HB2  PHE  20           HB2      PHE  20  24.611   1.415   1.039
  134    HB3  PHE  20           HB1      PHE  20  26.330   1.790   1.152
  135    HD1  PHE  20           HD1      PHE  20  23.509   1.737  -1.310
  136    HD2  PHE  20           HD2      PHE  20  27.224   3.544  -0.128
  137    HE1  PHE  20           HE1      PHE  20  23.252   3.431  -3.101
  138    HE2  PHE  20           HE2      PHE  20  26.967   5.240  -1.921
  139    HZ   PHE  20           HZ       PHE  20  24.982   5.184  -3.407
  140    H    CYS  21           HN       CYS  21  27.107  -0.221   2.005
  141    HA   CYS  21           HA       CYS  21  27.166  -1.832   3.654
  142    HB2  CYS  21           HB2      CYS  21  25.113  -2.226   4.697
  143    HB3  CYS  21           HB1      CYS  21  24.806  -0.728   3.821
  Start of MODEL   11
    1    H1   ABA   1           HT1      ABU   1   3.426  -5.812  -2.794
    2    H2   ABA   1           HT2      ABU   1   4.676  -6.052  -1.669
    3    H3   ABA   1           HT3      ABU   1   4.789  -4.804  -2.816
    4    HA   ABA   1           HA       ABU   1   2.548  -4.853  -0.910
    5    HB2  ABA   1           HB2      ABU   1   4.439  -3.078   0.116
    6    HG1  ABA   1           HG1      ABU   1   2.814  -5.157   0.983
    7    HG3  ABA   1           HG3      ABU   1   4.437  -5.707   1.401
    8    HG2  ABA   1           HG2      ABU   1   3.844  -4.162   2.012
    9    H    DBU   2           HN       DHB   2   5.055  -2.946  -2.604
   10    HB   DBU   2           HB       DHB   2   3.380  -0.082  -4.943
   11    HG1  DBU   2           HG1      DHB   2   3.616  -2.933  -5.612
   12    HG2  DBU   2           HG2      DHB   2   2.576  -1.744  -6.399
   13    HG3  DBU   2           HG3      DHB   2   2.001  -2.615  -4.977
   14    HA   PRO   3           HA       PRO   3   4.920   2.495  -1.841
   15    HB2  PRO   3           HB2      PRO   3   2.736   3.318  -0.374
   16    HB3  PRO   3           HB1      PRO   3   2.936   3.616  -2.112
   17    HG2  PRO   3           HG2      PRO   3   1.328   1.535  -0.720
   18    HG3  PRO   3           HG1      PRO   3   0.949   2.471  -2.176
   19    HD2  PRO   3           HD2      PRO   3   1.802  -0.115  -2.287
   20    HD3  PRO   3           HD1      PRO   3   2.170   1.068  -3.563
   21    H    ALA   4           HN       ALA   4   3.366  -0.043   0.003
   22    HA   ALA   4           HA       ALA   4   4.495   0.874   2.529
   23    HB1  ALA   4           HB1      ALA   4   2.448  -1.040   1.685
   24    HB2  ALA   4           HB2      ALA   4   2.598  -0.142   3.196
   25    HB3  ALA   4           HB3      ALA   4   3.483  -1.652   2.975
   26    H    CYS   5           HN       CYS   5   5.165  -1.430   0.004
   27    HA   CYS   5           HA       CYS   5   6.940  -3.108   1.449
   28    HB2  CYS   5           HB2      CYS   5   6.329  -2.620  -1.422
   29    HB3  CYS   5           HB1      CYS   5   7.883  -3.371  -1.044
   30    H    PHE   6           HN       PHE   6   7.309  -0.018  -0.148
   31    HA   PHE   6           HA       PHE   6  10.090   0.048  -0.431
   32    HB2  PHE   6           HB2      PHE   6   8.827   1.789  -1.447
   33    HB3  PHE   6           HB1      PHE   6   8.078   2.235   0.086
   34    HD1  PHE   6           HD1      PHE   6  11.630   1.544  -0.918
   35    HD2  PHE   6           HD2      PHE   6   8.827   4.335   0.760
   36    HE1  PHE   6           HE1      PHE   6  13.481   3.131  -0.459
   37    HE2  PHE   6           HE2      PHE   6  10.678   5.920   1.216
   38    HZ   PHE   6           HZ       PHE   6  13.005   5.317   0.608
   39    H    DBU   7           HN       DHB   7   8.084   1.113   2.344
   40    HB   DBU   7           HB       DHB   7   9.400   0.802   6.002
   41    HG1  DBU   7           HG1      DHB   7   7.811  -1.043   4.233
   42    HG2  DBU   7           HG2      DHB   7   6.856   0.168   5.089
   43    HG3  DBU   7           HG3      DHB   7   7.836  -0.984   5.994
   44    H    ILE   8           HN       ILE   8   9.930   2.844   5.708
   45    HA   ILE   8           HA       ILE   8  11.863   4.443   4.359
   46    HB   ILE   8           HB       ILE   8  10.383   5.187   6.264
   47   HG12  ILE   8          HG12      ILE   8  13.339   5.607   6.784
   48   HG13  ILE   8          HG11      ILE   8  12.482   6.375   5.445
   49   HG21  ILE   8          HG21      ILE   8  12.478   3.822   7.972
   50   HG22  ILE   8          HG22      ILE   8  10.895   3.118   7.644
   51   HG23  ILE   8          HG23      ILE   8  11.017   4.645   8.517
   52   HD11  ILE   8          HD11      ILE   8  11.691   7.960   6.830
   53   HD12  ILE   8          HD12      ILE   8  12.603   7.236   8.154
   54   HD13  ILE   8          HD13      ILE   8  10.945   6.725   7.843
   55    H    GLY   9           HN       GLY   9  12.124   1.840   6.763
   56    HA2  GLY   9           HA2      GLY   9  15.040   2.028   6.735
   57    HA3  GLY   9           HA1      GLY   9  14.072   0.954   7.741
   58    H    LEU  10           HN       LEU  10  12.513  -0.329   5.883
   59    HA   LEU  10           HA       LEU  10  14.258  -2.321   4.900
   60    HB2  LEU  10           HB2      LEU  10  12.359  -3.480   4.367
   61    HB3  LEU  10           HB1      LEU  10  11.642  -2.294   5.453
   62    HG   LEU  10           HG       LEU  10  11.319  -0.842   3.340
   63   HD11  LEU  10          HD11      LEU  10  11.018  -3.189   1.666
   64   HD12  LEU  10          HD12      LEU  10  12.690  -3.019   2.199
   65   HD13  LEU  10          HD13      LEU  10  11.901  -1.698   1.337
   66   HD21  LEU  10          HD21      LEU  10   9.626  -2.345   4.688
   67   HD22  LEU  10          HD22      LEU  10   9.686  -3.362   3.247
   68   HD23  LEU  10          HD23      LEU  10   9.153  -1.686   3.122
   69    H    GLY  11           HN       GLY  11  12.600   0.380   3.305
   70    HA2  GLY  11           HA2      GLY  11  13.352  -0.265   0.652
   71    HA3  GLY  11           HA1      GLY  11  12.886   1.333   1.226
   72    H    VAL  12           HN       VAL  12  14.895   1.745   3.140
   73    HA   VAL  12           HA       VAL  12  16.982   2.752   1.541
   74    HB   VAL  12           HB       VAL  12  16.510   2.401   4.469
   75   HG11  VAL  12          HG11      VAL  12  19.194   3.173   3.285
   76   HG12  VAL  12          HG12      VAL  12  18.859   1.671   4.148
   77   HG13  VAL  12          HG13      VAL  12  18.762   3.216   4.994
   78   HG21  VAL  12          HG21      VAL  12  16.852   4.818   4.439
   79   HG22  VAL  12          HG22      VAL  12  15.726   4.379   3.154
   80   HG23  VAL  12          HG23      VAL  12  17.406   4.748   2.766
   81    H    GLY  13           HN       GLY  13  16.804  -0.156   3.589
   82    HA2  GLY  13           HA2      GLY  13  19.446  -1.053   3.078
   83    HA3  GLY  13           HA1      GLY  13  18.112  -2.050   3.650
   84    H    ALA  14           HN       ALA  14  16.349  -1.636   1.462
   85    HA   ALA  14           HA       ALA  14  17.323  -3.612  -0.348
   86    HB1  ALA  14           HB1      ALA  14  14.975  -1.788  -0.842
   87    HB2  ALA  14           HB2      ALA  14  14.888  -3.134   0.295
   88    HB3  ALA  14           HB3      ALA  14  15.213  -3.440  -1.411
   89    H    LEU  15           HN       LEU  15  16.916  -0.126  -0.469
   90    HA   LEU  15           HA       LEU  15  17.911   0.031  -3.209
   91    HB2  LEU  15           HB2      LEU  15  17.121   2.218  -1.282
   92    HB3  LEU  15           HB1      LEU  15  17.358   2.378  -3.017
   93    HG   LEU  15           HG       LEU  15  15.285   0.659  -1.659
   94   HD11  LEU  15          HD11      LEU  15  15.262   3.366  -2.069
   95   HD12  LEU  15          HD12      LEU  15  13.821   2.357  -1.943
   96   HD13  LEU  15          HD13      LEU  15  14.472   2.771  -3.529
   97   HD21  LEU  15          HD21      LEU  15  15.162  -0.471  -3.604
   98   HD22  LEU  15          HD22      LEU  15  16.459   0.515  -4.275
   99   HD23  LEU  15          HD23      LEU  15  14.783   1.037  -4.438
  100    H    PHE  16           HN       PHE  16  18.677   1.688  -0.164
  101    HA   PHE  16           HA       PHE  16  21.280   2.466  -1.073
  102    HB2  PHE  16           HB2      PHE  16  20.083   3.857   0.509
  103    HB3  PHE  16           HB1      PHE  16  19.986   2.524   1.657
  104    HD1  PHE  16           HD1      PHE  16  22.444   4.627  -0.213
  105    HD2  PHE  16           HD2      PHE  16  21.711   2.122   3.196
  106    HE1  PHE  16           HE1      PHE  16  24.677   5.214   0.695
  107    HE2  PHE  16           HE2      PHE  16  23.944   2.710   4.108
  108    HZ   PHE  16           HZ       PHE  16  25.426   4.256   2.857
  109    H    DAL  17           HN       DAL  17  19.948  -0.133   0.866
  110    HA   DAL  17           HA       DAL  17  20.955  -1.916   1.937
  111    HB1  DAL  17           HB2      DAL  17  23.583  -0.533   1.368
  112    HB2  DAL  17           HB3      DAL  17  22.612  -0.262   2.809
  113    H    ALA  18           HN       ALA  18  20.575  -1.357  -1.044
  114    HA   ALA  18           HA       ALA  18  21.387  -3.910  -1.969
  115    HB1  ALA  18           HB1      ALA  18  20.855  -2.498  -4.255
  116    HB2  ALA  18           HB2      ALA  18  19.969  -1.574  -3.041
  117    HB3  ALA  18           HB3      ALA  18  19.639  -3.294  -3.255
  118    H    LYS  19           HN       LYS  19  22.779  -0.665  -2.521
  119    HA   LYS  19           HA       LYS  19  24.942  -1.943  -4.063
  120    HB2  LYS  19           HB2      LYS  19  25.489   0.298  -4.859
  121    HB3  LYS  19           HB1      LYS  19  23.788  -0.053  -5.151
  122    HG2  LYS  19           HG2      LYS  19  24.060   1.114  -2.535
  123    HG3  LYS  19           HG1      LYS  19  24.883   2.134  -3.712
  124    HD2  LYS  19           HD2      LYS  19  22.692   1.678  -5.139
  125    HD3  LYS  19           HD1      LYS  19  21.987   1.394  -3.548
  126    HE2  LYS  19           HE2      LYS  19  21.667   3.714  -3.939
  127    HE3  LYS  19           HE1      LYS  19  23.063   3.631  -2.864
  128    HZ1  LYS  19           HZ1      LYS  19  23.594   5.112  -4.619
  129    HZ2  LYS  19           HZ2      LYS  19  23.074   4.012  -5.806
  130    HZ3  LYS  19           HZ3      LYS  19  24.473   3.689  -4.897
  131    H    PHE  20           HN       PHE  20  24.218  -0.040  -1.269
  132    HA   PHE  20           HA       PHE  20  27.031  -0.034  -0.420
  133    HB2  PHE  20           HB2      PHE  20  24.632   1.507   0.591
  134    HB3  PHE  20           HB1      PHE  20  26.239   1.582   1.309
  135    HD1  PHE  20           HD1      PHE  20  24.105   2.689  -1.404
  136    HD2  PHE  20           HD2      PHE  20  28.176   2.408  -0.067
  137    HE1  PHE  20           HE1      PHE  20  24.773   4.381  -3.085
  138    HE2  PHE  20           HE2      PHE  20  28.846   4.102  -1.750
  139    HZ   PHE  20           HZ       PHE  20  27.144   5.091  -3.258
  140    H    CYS  21           HN       CYS  21  27.067  -0.145   2.117
  141    HA   CYS  21           HA       CYS  21  27.007  -1.561   3.922
  142    HB2  CYS  21           HB2      CYS  21  24.870  -1.997   4.808
  143    HB3  CYS  21           HB1      CYS  21  24.638  -0.538   3.848
  Start of MODEL   12
    1    H1   ABA   1           HT1      ABU   1   5.792  -6.337  -2.661
    2    H2   ABA   1           HT2      ABU   1   4.994  -7.225  -1.452
    3    H3   ABA   1           HT3      ABU   1   6.667  -6.949  -1.342
    4    HA   ABA   1           HA       ABU   1   5.579  -5.484   0.171
    5    HB2  ABA   1           HB2      ABU   1   6.949  -3.776  -0.389
    6    HG1  ABA   1           HG1      ABU   1   7.259  -5.173  -3.062
    7    HG3  ABA   1           HG3      ABU   1   8.426  -4.098  -2.291
    8    HG2  ABA   1           HG2      ABU   1   8.077  -5.674  -1.582
    9    H    DBU   2           HN       DHB   2   4.372  -3.134  -0.104
   10    HB   DBU   2           HB       DHB   2   0.310  -3.171  -0.986
   11    HG1  DBU   2           HG1      DHB   2   0.048  -5.282   0.075
   12    HG2  DBU   2           HG2      DHB   2   1.778  -5.403   0.396
   13    HG3  DBU   2           HG3      DHB   2   1.148  -5.797  -1.204
   14    HA   PRO   3           HA       PRO   3   1.738   0.792  -2.340
   15    HB2  PRO   3           HB2      PRO   3   0.719   2.252  -0.236
   16    HB3  PRO   3           HB1      PRO   3  -0.275   1.326  -1.379
   17    HG2  PRO   3           HG2      PRO   3   0.619   0.608   1.370
   18    HG3  PRO   3           HG1      PRO   3  -0.940   0.320   0.575
   19    HD2  PRO   3           HD2      PRO   3   0.927  -1.639   0.851
   20    HD3  PRO   3           HD1      PRO   3  -0.181  -1.565  -0.538
   21    H    ALA   4           HN       ALA   4   3.171   0.042   0.755
   22    HA   ALA   4           HA       ALA   4   4.930   2.405   0.564
   23    HB1  ALA   4           HB1      ALA   4   5.466   1.880   2.959
   24    HB2  ALA   4           HB2      ALA   4   4.238   0.615   2.900
   25    HB3  ALA   4           HB3      ALA   4   3.777   2.303   2.677
   26    H    CYS   5           HN       CYS   5   5.090  -0.361  -0.803
   27    HA   CYS   5           HA       CYS   5   6.960  -2.062   0.040
   28    HB2  CYS   5           HB2      CYS   5   6.699  -0.763  -2.660
   29    HB3  CYS   5           HB1      CYS   5   7.937  -1.979  -2.352
   30    H    PHE   6           HN       PHE   6   7.580   1.285  -0.844
   31    HA   PHE   6           HA       PHE   6  10.383   1.173  -0.967
   32    HB2  PHE   6           HB2      PHE   6   9.498   3.183  -1.737
   33    HB3  PHE   6           HB1      PHE   6   8.407   3.348  -0.361
   34    HD1  PHE   6           HD1      PHE   6  12.096   2.703  -0.613
   35    HD2  PHE   6           HD2      PHE   6   8.973   5.261   0.858
   36    HE1  PHE   6           HE1      PHE   6  13.782   4.086   0.566
   37    HE2  PHE   6           HE2      PHE   6  10.661   6.643   2.036
   38    HZ   PHE   6           HZ       PHE   6  13.066   6.055   1.891
   39    H    DBU   7           HN       DHB   7   8.247   1.926   1.815
   40    HB   DBU   7           HB       DHB   7   9.106   0.917   5.450
   41    HG1  DBU   7           HG1      DHB   7   7.526  -0.295   3.165
   42    HG2  DBU   7           HG2      DHB   7   6.636   0.755   4.268
   43    HG3  DBU   7           HG3      DHB   7   7.421  -0.703   4.878
   44    H    ILE   8           HN       ILE   8   9.825   3.154   5.415
   45    HA   ILE   8           HA       ILE   8  12.121   4.547   4.524
   46    HB   ILE   8           HB       ILE   8  10.977   4.141   7.294
   47   HG12  ILE   8          HG12      ILE   8  10.957   6.576   5.488
   48   HG13  ILE   8          HG11      ILE   8   9.646   5.392   5.526
   49   HG21  ILE   8          HG21      ILE   8  12.621   6.493   6.983
   50   HG22  ILE   8          HG22      ILE   8  13.559   5.051   6.590
   51   HG23  ILE   8          HG23      ILE   8  12.769   5.189   8.161
   52   HD11  ILE   8          HD11      ILE   8   8.927   7.014   7.069
   53   HD12  ILE   8          HD12      ILE   8  10.554   7.269   7.699
   54   HD13  ILE   8          HD13      ILE   8   9.674   5.795   8.101
   55    H    GLY   9           HN       GLY   9  11.751   1.763   6.707
   56    HA2  GLY   9           HA2      GLY   9  14.615   1.524   7.089
   57    HA3  GLY   9           HA1      GLY   9  13.379   0.432   7.708
   58    H    LEU  10           HN       LEU  10  12.076  -0.395   5.503
   59    HA   LEU  10           HA       LEU  10  13.803  -2.349   4.415
   60    HB2  LEU  10           HB2      LEU  10  11.916  -3.265   3.518
   61    HB3  LEU  10           HB1      LEU  10  11.135  -2.177   4.663
   62    HG   LEU  10           HG       LEU  10  11.180  -0.438   2.752
   63   HD11  LEU  10          HD11      LEU  10  12.546  -2.579   1.497
   64   HD12  LEU  10          HD12      LEU  10  12.042  -1.055   0.767
   65   HD13  LEU  10          HD13      LEU  10  10.975  -2.458   0.706
   66   HD21  LEU  10          HD21      LEU  10   9.006  -1.021   2.282
   67   HD22  LEU  10          HD22      LEU  10   9.274  -2.145   3.614
   68   HD23  LEU  10          HD23      LEU  10   9.420  -2.702   1.947
   69    H    GLY  11           HN       GLY  11  12.523   0.689   3.104
   70    HA2  GLY  11           HA2      GLY  11  13.535   0.399   0.480
   71    HA3  GLY  11           HA1      GLY  11  13.133   1.928   1.257
   72    H    VAL  12           HN       VAL  12  14.935   1.608   3.466
   73    HA   VAL  12           HA       VAL  12  17.255   2.790   2.397
   74    HB   VAL  12           HB       VAL  12  16.608   1.520   5.058
   75   HG11  VAL  12          HG11      VAL  12  18.897   1.180   5.085
   76   HG12  VAL  12          HG12      VAL  12  18.813   2.842   5.672
   77   HG13  VAL  12          HG13      VAL  12  19.216   2.521   3.985
   78   HG21  VAL  12          HG21      VAL  12  15.717   3.818   4.163
   79   HG22  VAL  12          HG22      VAL  12  17.353   4.382   4.503
   80   HG23  VAL  12          HG23      VAL  12  16.359   3.728   5.804
   81    H    GLY  13           HN       GLY  13  16.626  -0.523   3.548
   82    HA2  GLY  13           HA2      GLY  13  19.229  -1.520   3.016
   83    HA3  GLY  13           HA1      GLY  13  17.771  -2.492   3.201
   84    H    ALA  14           HN       ALA  14  16.272  -1.313   1.090
   85    HA   ALA  14           HA       ALA  14  17.231  -2.841  -1.119
   86    HB1  ALA  14           HB1      ALA  14  15.314  -1.684  -2.320
   87    HB2  ALA  14           HB2      ALA  14  14.988  -0.843  -0.805
   88    HB3  ALA  14           HB3      ALA  14  14.868  -2.600  -0.881
   89    H    LEU  15           HN       LEU  15  17.178   0.579  -0.306
   90    HA   LEU  15           HA       LEU  15  18.400   1.362  -2.832
   91    HB2  LEU  15           HB2      LEU  15  17.855   3.056  -0.393
   92    HB3  LEU  15           HB1      LEU  15  18.074   3.594  -2.052
   93    HG   LEU  15           HG       LEU  15  15.914   1.633  -1.446
   94   HD11  LEU  15          HD11      LEU  15  15.712   4.629  -1.049
   95   HD12  LEU  15          HD12      LEU  15  15.662   3.420   0.235
   96   HD13  LEU  15          HD13      LEU  15  14.369   3.490  -0.964
   97   HD21  LEU  15          HD21      LEU  15  14.865   3.247  -3.255
   98   HD22  LEU  15          HD22      LEU  15  16.054   2.038  -3.740
   99   HD23  LEU  15          HD23      LEU  15  16.546   3.716  -3.512
  100    H    PHE  16           HN       PHE  16  19.157   1.899   0.591
  101    HA   PHE  16           HA       PHE  16  21.878   2.590   0.051
  102    HB2  PHE  16           HB2      PHE  16  20.717   3.565   1.931
  103    HB3  PHE  16           HB1      PHE  16  20.413   1.972   2.617
  104    HD1  PHE  16           HD1      PHE  16  23.081   4.412   1.765
  105    HD2  PHE  16           HD2      PHE  16  22.081   0.784   3.831
  106    HE1  PHE  16           HE1      PHE  16  25.288   4.452   2.898
  107    HE2  PHE  16           HE2      PHE  16  24.286   0.823   4.969
  108    HZ   PHE  16           HZ       PHE  16  25.891   2.657   4.501
  109    H    DAL  17           HN       DAL  17  20.182  -0.317   1.003
  110    HA   DAL  17           HA       DAL  17  20.941  -2.425   1.565
  111    HB1  DAL  17           HB2      DAL  17  23.741  -1.290   1.459
  112    HB2  DAL  17           HB3      DAL  17  22.728  -1.289   2.896
  113    H    ALA  18           HN       ALA  18  20.810  -1.029  -1.167
  114    HA   ALA  18           HA       ALA  18  21.354  -3.341  -2.710
  115    HB1  ALA  18           HB1      ALA  18  19.817  -2.225  -3.894
  116    HB2  ALA  18           HB2      ALA  18  21.156  -1.269  -4.529
  117    HB3  ALA  18           HB3      ALA  18  20.238  -0.687  -3.140
  118    H    LYS  19           HN       LYS  19  23.183  -0.272  -2.403
  119    HA   LYS  19           HA       LYS  19  25.244  -1.457  -4.149
  120    HB2  LYS  19           HB2      LYS  19  26.204   0.888  -4.139
  121    HB3  LYS  19           HB1      LYS  19  24.638   0.715  -4.929
  122    HG2  LYS  19           HG2      LYS  19  24.244   1.239  -2.122
  123    HG3  LYS  19           HG1      LYS  19  25.310   2.462  -2.812
  124    HD2  LYS  19           HD2      LYS  19  23.577   2.521  -4.764
  125    HD3  LYS  19           HD1      LYS  19  22.493   1.763  -3.598
  126    HE2  LYS  19           HE2      LYS  19  23.971   4.380  -3.198
  127    HE3  LYS  19           HE1      LYS  19  22.249   4.209  -3.533
  128    HZ1  LYS  19           HZ1      LYS  19  21.845   3.779  -1.413
  129    HZ2  LYS  19           HZ2      LYS  19  23.451   4.206  -1.067
  130    HZ3  LYS  19           HZ3      LYS  19  23.042   2.581  -1.345
  131    H    PHE  20           HN       PHE  20  24.604  -0.150  -1.000
  132    HA   PHE  20           HA       PHE  20  27.331  -0.779  -0.112
  133    HB2  PHE  20           HB2      PHE  20  25.096   0.686   1.322
  134    HB3  PHE  20           HB1      PHE  20  26.730   0.448   1.935
  135    HD1  PHE  20           HD1      PHE  20  24.609   2.359  -0.319
  136    HD2  PHE  20           HD2      PHE  20  28.677   1.494   0.756
  137    HE1  PHE  20           HE1      PHE  20  25.363   4.372  -1.553
  138    HE2  PHE  20           HE2      PHE  20  29.431   3.510  -0.478
  139    HZ   PHE  20           HZ       PHE  20  27.774   4.950  -1.631
  140    H    CYS  21           HN       CYS  21  27.243  -1.664   2.254
  141    HA   CYS  21           HA       CYS  21  26.891  -3.568   3.510
  142    HB2  CYS  21           HB2      CYS  21  24.716  -3.789   4.331
  143    HB3  CYS  21           HB1      CYS  21  24.733  -2.114   3.777
  Start of MODEL   13
    1    H1   ABA   1           HT1      ABU   1   3.617  -4.854  -2.591
    2    H2   ABA   1           HT2      ABU   1   4.681  -3.798  -3.391
    3    H3   ABA   1           HT3      ABU   1   3.005  -3.676  -3.646
    4    HA   ABA   1           HA       ABU   1   2.603  -2.756  -1.577
    5    HB2  ABA   1           HB2      ABU   1   4.714  -2.709   0.035
    6    HG1  ABA   1           HG1      ABU   1   3.914  -5.157   0.713
    7    HG3  ABA   1           HG3      ABU   1   2.866  -3.757   0.939
    8    HG2  ABA   1           HG2      ABU   1   2.647  -4.804  -0.463
    9    H    DBU   2           HN       DHB   2   4.482  -2.227  -4.110
   10    HB   DBU   2           HB       DHB   2   5.735   1.105  -5.515
   11    HG1  DBU   2           HG1      DHB   2   3.651  -1.036  -6.083
   12    HG2  DBU   2           HG2      DHB   2   5.159  -1.088  -6.998
   13    HG3  DBU   2           HG3      DHB   2   4.106   0.322  -7.112
   14    HA   PRO   3           HA       PRO   3   7.405   2.676  -1.924
   15    HB2  PRO   3           HB2      PRO   3   4.869   3.724  -0.761
   16    HB3  PRO   3           HB1      PRO   3   6.248   4.607  -1.442
   17    HG2  PRO   3           HG2      PRO   3   3.950   4.373  -2.768
   18    HG3  PRO   3           HG1      PRO   3   5.514   4.358  -3.601
   19    HD2  PRO   3           HD2      PRO   3   3.665   2.080  -3.027
   20    HD3  PRO   3           HD1      PRO   3   4.756   2.332  -4.409
   21    H    ALA   4           HN       ALA   4   4.547   1.065  -0.567
   22    HA   ALA   4           HA       ALA   4   5.477   1.079   2.136
   23    HB1  ALA   4           HB1      ALA   4   3.599  -0.280   2.619
   24    HB2  ALA   4           HB2      ALA   4   3.524  -0.900   0.969
   25    HB3  ALA   4           HB3      ALA   4   3.070   0.771   1.305
   26    H    CYS   5           HN       CYS   5   5.931  -1.009  -0.615
   27    HA   CYS   5           HA       CYS   5   6.928  -3.255   0.861
   28    HB2  CYS   5           HB2      CYS   5   6.665  -2.505  -1.999
   29    HB3  CYS   5           HB1      CYS   5   7.929  -3.673  -1.599
   30    H    PHE   6           HN       PHE   6   8.359  -0.446  -0.721
   31    HA   PHE   6           HA       PHE   6  11.041  -1.247  -0.665
   32    HB2  PHE   6           HB2      PHE   6  10.758   0.696  -1.879
   33    HB3  PHE   6           HB1      PHE   6   9.631   1.387  -0.713
   34    HD1  PHE   6           HD1      PHE   6  12.929  -0.138   0.086
   35    HD2  PHE   6           HD2      PHE   6  10.683   3.501  -0.315
   36    HE1  PHE   6           HE1      PHE   6  14.766   1.117   1.172
   37    HE2  PHE   6           HE2      PHE   6  12.531   4.757   0.764
   38    HZ   PHE   6           HZ       PHE   6  14.573   3.565   1.507
   39    H    DBU   7           HN       DHB   7   9.174   0.581   1.790
   40    HB   DBU   7           HB       DHB   7  10.301  -0.258   5.562
   41    HG1  DBU   7           HG1      DHB   7   8.270  -1.717   4.949
   42    HG2  DBU   7           HG2      DHB   7   9.781  -2.620   4.843
   43    HG3  DBU   7           HG3      DHB   7   9.019  -2.001   3.378
   44    H    ILE   8           HN       ILE   8   9.566   2.363   4.787
   45    HA   ILE   8           HA       ILE   8  11.433   4.267   3.833
   46    HB   ILE   8           HB       ILE   8   9.677   4.237   6.295
   47   HG12  ILE   8          HG12      ILE   8   9.431   5.817   3.720
   48   HG13  ILE   8          HG11      ILE   8   8.650   4.251   3.961
   49   HG21  ILE   8          HG21      ILE   8  11.519   5.745   6.732
   50   HG22  ILE   8          HG22      ILE   8  10.119   6.721   6.286
   51   HG23  ILE   8          HG23      ILE   8  11.402   6.432   5.112
   52   HD11  ILE   8          HD11      ILE   8   8.275   6.404   6.019
   53   HD12  ILE   8          HD12      ILE   8   7.204   5.070   5.592
   54   HD13  ILE   8          HD13      ILE   8   7.339   6.468   4.524
   55    H    GLY   9           HN       GLY   9  11.346   2.333   6.817
   56    HA2  GLY   9           HA2      GLY   9  13.826   3.468   7.790
   57    HA3  GLY   9           HA1      GLY   9  12.901   2.171   8.538
   58    H    LEU  10           HN       LEU  10  13.433   0.074   8.143
   59    HA   LEU  10           HA       LEU  10  16.032  -0.530   7.268
   60    HB2  LEU  10           HB2      LEU  10  15.597  -2.678   7.918
   61    HB3  LEU  10           HB1      LEU  10  14.281  -1.870   8.760
   62    HG   LEU  10           HG       LEU  10  13.349  -3.786   7.658
   63   HD11  LEU  10          HD11      LEU  10  12.567  -1.132   7.012
   64   HD12  LEU  10          HD12      LEU  10  11.560  -2.576   7.071
   65   HD13  LEU  10          HD13      LEU  10  12.345  -2.114   5.561
   66   HD21  LEU  10          HD21      LEU  10  15.390  -3.455   5.824
   67   HD22  LEU  10          HD22      LEU  10  13.958  -3.024   4.889
   68   HD23  LEU  10          HD23      LEU  10  14.060  -4.602   5.669
   69    H    GLY  11           HN       GLY  11  13.043  -0.258   5.552
   70    HA2  GLY  11           HA2      GLY  11  13.343  -1.809   3.328
   71    HA3  GLY  11           HA1      GLY  11  12.638  -0.199   3.294
   72    H    VAL  12           HN       VAL  12  15.228   0.988   4.218
   73    HA   VAL  12           HA       VAL  12  16.290   1.677   1.698
   74    HB   VAL  12           HB       VAL  12  16.536   2.996   3.837
   75   HG11  VAL  12          HG11      VAL  12  18.089   2.356   5.484
   76   HG12  VAL  12          HG12      VAL  12  18.891   1.203   4.415
   77   HG13  VAL  12          HG13      VAL  12  17.297   0.833   5.076
   78   HG21  VAL  12          HG21      VAL  12  17.877   3.523   1.848
   79   HG22  VAL  12          HG22      VAL  12  19.068   2.306   2.311
   80   HG23  VAL  12          HG23      VAL  12  18.843   3.745   3.307
   81    H    GLY  13           HN       GLY  13  17.245  -0.751   4.090
   82    HA2  GLY  13           HA2      GLY  13  19.686  -1.515   2.895
   83    HA3  GLY  13           HA1      GLY  13  18.714  -2.521   3.963
   84    H    ALA  14           HN       ALA  14  16.361  -2.669   2.413
   85    HA   ALA  14           HA       ALA  14  17.078  -4.755   0.605
   86    HB1  ALA  14           HB1      ALA  14  14.404  -3.501   0.348
   87    HB2  ALA  14           HB2      ALA  14  14.805  -4.158   1.934
   88    HB3  ALA  14           HB3      ALA  14  14.841  -5.201   0.513
   89    H    LEU  15           HN       LEU  15  16.120  -1.398   0.251
   90    HA   LEU  15           HA       LEU  15  16.260  -1.523  -2.659
   91    HB2  LEU  15           HB2      LEU  15  14.542  -0.105  -2.132
   92    HB3  LEU  15           HB1      LEU  15  15.278   0.399  -0.614
   93    HG   LEU  15           HG       LEU  15  16.867   1.251  -2.903
   94   HD11  LEU  15          HD11      LEU  15  14.754   3.073  -3.056
   95   HD12  LEU  15          HD12      LEU  15  13.988   1.486  -3.118
   96   HD13  LEU  15          HD13      LEU  15  15.233   1.912  -4.292
   97   HD21  LEU  15          HD21      LEU  15  15.854   2.227  -0.329
   98   HD22  LEU  15          HD22      LEU  15  15.937   3.479  -1.570
   99   HD23  LEU  15          HD23      LEU  15  17.384   2.569  -1.137
  100    H    PHE  16           HN       PHE  16  17.602   0.799  -0.331
  101    HA   PHE  16           HA       PHE  16  19.778   1.466  -2.072
  102    HB2  PHE  16           HB2      PHE  16  18.617   2.473   0.364
  103    HB3  PHE  16           HB1      PHE  16  20.370   2.382   0.519
  104    HD1  PHE  16           HD1      PHE  16  18.484   2.862  -2.646
  105    HD2  PHE  16           HD2      PHE  16  20.922   4.703   0.372
  106    HE1  PHE  16           HE1      PHE  16  18.719   4.881  -4.067
  107    HE2  PHE  16           HE2      PHE  16  21.158   6.724  -1.048
  108    HZ   PHE  16           HZ       PHE  16  20.056   6.811  -3.268
  109    H    DAL  17           HN       DAL  17  19.352  -0.758   0.598
  110    HA   DAL  17           HA       DAL  17  20.785  -2.256   1.586
  111    HB1  DAL  17           HB2      DAL  17  23.217  -0.808   0.735
  112    HB2  DAL  17           HB3      DAL  17  22.092   0.084   1.761
  113    H    ALA  18           HN       ALA  18  20.235  -2.020  -1.474
  114    HA   ALA  18           HA       ALA  18  21.617  -4.410  -2.167
  115    HB1  ALA  18           HB1      ALA  18  20.545  -2.695  -4.335
  116    HB2  ALA  18           HB2      ALA  18  19.392  -3.209  -3.103
  117    HB3  ALA  18           HB3      ALA  18  20.293  -4.412  -4.024
  118    H    LYS  19           HN       LYS  19  22.070  -0.987  -3.124
  119    HA   LYS  19           HA       LYS  19  24.624  -1.800  -4.366
  120    HB2  LYS  19           HB2      LYS  19  24.420   0.666  -5.260
  121    HB3  LYS  19           HB1      LYS  19  23.506  -0.639  -6.017
  122    HG2  LYS  19           HG2      LYS  19  22.347   0.968  -3.741
  123    HG3  LYS  19           HG1      LYS  19  22.216   1.520  -5.411
  124    HD2  LYS  19           HD2      LYS  19  21.492  -1.197  -5.478
  125    HD3  LYS  19           HD1      LYS  19  20.695  -0.541  -4.047
  126    HE2  LYS  19           HE2      LYS  19  20.550   1.251  -6.363
  127    HE3  LYS  19           HE1      LYS  19  19.762  -0.302  -6.639
  128    HZ1  LYS  19           HZ1      LYS  19  18.065   0.664  -5.568
  129    HZ2  LYS  19           HZ2      LYS  19  19.044   1.844  -4.836
  130    HZ3  LYS  19           HZ3      LYS  19  18.938   0.288  -4.163
  131    H    PHE  20           HN       PHE  20  23.195   0.559  -2.128
  132    HA   PHE  20           HA       PHE  20  25.909   1.051  -1.052
  133    HB2  PHE  20           HB2      PHE  20  23.735   3.141  -1.261
  134    HB3  PHE  20           HB1      PHE  20  25.421   3.383  -0.805
  135    HD1  PHE  20           HD1      PHE  20  23.097   2.738  -3.577
  136    HD2  PHE  20           HD2      PHE  20  27.210   3.306  -2.481
  137    HE1  PHE  20           HE1      PHE  20  23.688   3.051  -5.964
  138    HE2  PHE  20           HE2      PHE  20  27.803   3.619  -4.868
  139    HZ   PHE  20           HZ       PHE  20  26.041   3.491  -6.611
  140    H    CYS  21           HN       CYS  21  26.030   0.479   1.048
  141    HA   CYS  21           HA       CYS  21  23.575   0.727   2.684
  142    HB2  CYS  21           HB2      CYS  21  25.317  -1.585   2.255
  143    HB3  CYS  21           HB1      CYS  21  25.080  -1.199   3.958
  Start of MODEL   14
    1    H1   ABA   1           HT1      ABU   1   5.011  -6.954  -2.367
    2    H2   ABA   1           HT2      ABU   1   6.655  -6.911  -1.942
    3    H3   ABA   1           HT3      ABU   1   6.097  -6.026  -3.280
    4    HA   ABA   1           HA       ABU   1   5.704  -5.487  -0.409
    5    HB2  ABA   1           HB2      ABU   1   7.060  -3.727  -0.824
    6    HG1  ABA   1           HG1      ABU   1   8.582  -3.943  -2.600
    7    HG3  ABA   1           HG3      ABU   1   7.980  -5.589  -2.402
    8    HG2  ABA   1           HG2      ABU   1   7.352  -4.569  -3.699
    9    H    DBU   2           HN       DHB   2   4.457  -3.154  -0.404
   10    HB   DBU   2           HB       DHB   2   0.387  -3.145  -1.225
   11    HG1  DBU   2           HG1      DHB   2   0.810  -5.674  -1.708
   12    HG2  DBU   2           HG2      DHB   2   0.391  -5.313  -0.033
   13    HG3  DBU   2           HG3      DHB   2   2.074  -5.593  -0.480
   14    HA   PRO   3           HA       PRO   3   1.756   0.950  -2.201
   15    HB2  PRO   3           HB2      PRO   3   0.739   2.185   0.042
   16    HB3  PRO   3           HB1      PRO   3  -0.255   1.358  -1.174
   17    HG2  PRO   3           HG2      PRO   3   0.685   0.389   1.481
   18    HG3  PRO   3           HG1      PRO   3  -0.884   0.164   0.686
   19    HD2  PRO   3           HD2      PRO   3   0.999  -1.796   0.740
   20    HD3  PRO   3           HD1      PRO   3  -0.124  -1.593  -0.625
   21    H    ALA   4           HN       ALA   4   3.225  -0.096   0.785
   22    HA   ALA   4           HA       ALA   4   4.958   2.294   0.828
   23    HB1  ALA   4           HB1      ALA   4   5.228   0.486   3.092
   24    HB2  ALA   4           HB2      ALA   4   3.566   1.035   2.879
   25    HB3  ALA   4           HB3      ALA   4   4.866   2.213   3.071
   26    H    CYS   5           HN       CYS   5   5.134  -0.306  -0.828
   27    HA   CYS   5           HA       CYS   5   7.016  -2.072  -0.190
   28    HB2  CYS   5           HB2      CYS   5   6.728  -0.481  -2.727
   29    HB3  CYS   5           HB1      CYS   5   7.977  -1.715  -2.565
   30    H    PHE   6           HN       PHE   6   7.653   1.348  -0.806
   31    HA   PHE   6           HA       PHE   6  10.468   1.231  -0.822
   32    HB2  PHE   6           HB2      PHE   6   9.119   3.226  -1.471
   33    HB3  PHE   6           HB1      PHE   6   8.719   3.472   0.226
   34    HD1  PHE   6           HD1      PHE   6   9.880   5.760  -0.708
   35    HD2  PHE   6           HD2      PHE   6  11.926   2.100   0.223
   36    HE1  PHE   6           HE1      PHE   6  11.992   7.019  -0.392
   37    HE2  PHE   6           HE2      PHE   6  14.040   3.363   0.549
   38    HZ   PHE   6           HZ       PHE   6  14.069   5.822   0.236
   39    H    DBU   7           HN       DHB   7   8.187   1.801   1.887
   40    HB   DBU   7           HB       DHB   7   9.080   0.465   5.470
   41    HG1  DBU   7           HG1      DHB   7   6.658   0.097   4.235
   42    HG2  DBU   7           HG2      DHB   7   7.621  -1.297   4.724
   43    HG3  DBU   7           HG3      DHB   7   7.682  -0.725   3.058
   44    H    ILE   8           HN       ILE   8   9.496   2.796   5.612
   45    HA   ILE   8           HA       ILE   8  11.614   4.527   4.890
   46    HB   ILE   8           HB       ILE   8  10.442   3.822   7.585
   47   HG12  ILE   8          HG12      ILE   8   8.945   4.968   5.955
   48   HG13  ILE   8          HG11      ILE   8   9.330   5.997   7.338
   49   HG21  ILE   8          HG21      ILE   8  12.496   5.899   6.782
   50   HG22  ILE   8          HG22      ILE   8  12.671   4.628   7.993
   51   HG23  ILE   8          HG23      ILE   8  11.578   5.981   8.286
   52   HD11  ILE   8          HD11      ILE   8   9.556   7.310   5.303
   53   HD12  ILE   8          HD12      ILE   8  10.624   6.096   4.597
   54   HD13  ILE   8          HD13      ILE   8  11.160   7.042   5.987
   55    H    GLY   9           HN       GLY   9  11.553   1.588   6.899
   56    HA2  GLY   9           HA2      GLY   9  14.410   1.741   7.392
   57    HA3  GLY   9           HA1      GLY   9  13.319   0.479   7.947
   58    H    LEU  10           HN       LEU  10  12.276  -0.653   5.818
   59    HA   LEU  10           HA       LEU  10  14.363  -2.207   4.726
   60    HB2  LEU  10           HB2      LEU  10  12.604  -3.171   3.281
   61    HB3  LEU  10           HB1      LEU  10  12.098  -3.080   4.967
   62    HG   LEU  10           HG       LEU  10  11.205  -0.685   4.158
   63   HD11  LEU  10          HD11      LEU  10  10.950  -2.436   1.694
   64   HD12  LEU  10          HD12      LEU  10  12.069  -1.082   1.835
   65   HD13  LEU  10          HD13      LEU  10  10.331  -0.797   1.890
   66   HD21  LEU  10          HD21      LEU  10   9.139  -2.344   3.319
   67   HD22  LEU  10          HD22      LEU  10   9.439  -1.841   4.982
   68   HD23  LEU  10          HD23      LEU  10  10.077  -3.378   4.397
   69    H    GLY  11           HN       GLY  11  12.662   0.625   3.531
   70    HA2  GLY  11           HA2      GLY  11  13.366   0.523   0.834
   71    HA3  GLY  11           HA1      GLY  11  13.066   2.000   1.739
   72    H    VAL  12           HN       VAL  12  15.173   1.890   3.581
   73    HA   VAL  12           HA       VAL  12  17.277   2.958   2.020
   74    HB   VAL  12           HB       VAL  12  16.623   3.180   4.614
   75   HG11  VAL  12          HG11      VAL  12  18.214   2.020   6.024
   76   HG12  VAL  12          HG12      VAL  12  19.007   1.308   4.619
   77   HG13  VAL  12          HG13      VAL  12  17.368   0.818   5.050
   78   HG21  VAL  12          HG21      VAL  12  18.595   4.465   4.833
   79   HG22  VAL  12          HG22      VAL  12  18.273   4.462   3.099
   80   HG23  VAL  12          HG23      VAL  12  19.511   3.398   3.766
   81    H    GLY  13           HN       GLY  13  16.774  -0.196   3.539
   82    HA2  GLY  13           HA2      GLY  13  19.335  -1.271   2.970
   83    HA3  GLY  13           HA1      GLY  13  17.875  -2.205   3.288
   84    H    ALA  14           HN       ALA  14  16.311  -1.136   1.145
   85    HA   ALA  14           HA       ALA  14  17.158  -2.850  -0.972
   86    HB1  ALA  14           HB1      ALA  14  14.777  -2.350  -0.474
   87    HB2  ALA  14           HB2      ALA  14  15.199  -2.011  -2.153
   88    HB3  ALA  14           HB3      ALA  14  15.042  -0.688  -0.998
   89    H    LEU  15           HN       LEU  15  17.224   0.618  -0.406
   90    HA   LEU  15           HA       LEU  15  18.400   1.161  -3.021
   91    HB2  LEU  15           HB2      LEU  15  17.858   3.048  -0.727
   92    HB3  LEU  15           HB1      LEU  15  18.138   3.469  -2.411
   93    HG   LEU  15           HG       LEU  15  15.835   1.777  -1.439
   94   HD11  LEU  15          HD11      LEU  15  14.451   3.716  -1.677
   95   HD12  LEU  15          HD12      LEU  15  15.768   4.639  -2.402
   96   HD13  LEU  15          HD13      LEU  15  15.835   4.198  -0.696
   97   HD21  LEU  15          HD21      LEU  15  15.816   3.194  -4.055
   98   HD22  LEU  15          HD22      LEU  15  15.178   1.605  -3.636
   99   HD23  LEU  15          HD23      LEU  15  16.905   1.813  -3.928
  100    H    PHE  16           HN       PHE  16  19.211   2.012   0.330
  101    HA   PHE  16           HA       PHE  16  21.940   2.609  -0.291
  102    HB2  PHE  16           HB2      PHE  16  20.824   3.751   1.531
  103    HB3  PHE  16           HB1      PHE  16  20.496   2.216   2.335
  104    HD1  PHE  16           HD1      PHE  16  23.173   4.577   1.333
  105    HD2  PHE  16           HD2      PHE  16  22.182   1.035   3.549
  106    HE1  PHE  16           HE1      PHE  16  25.396   4.645   2.433
  107    HE2  PHE  16           HE2      PHE  16  24.404   1.102   4.653
  108    HZ   PHE  16           HZ       PHE  16  26.011   2.908   4.094
  109    H    DAL  17           HN       DAL  17  20.186  -0.162   0.907
  110    HA   DAL  17           HA       DAL  17  20.891  -2.239   1.629
  111    HB1  DAL  17           HB2      DAL  17  23.721  -1.216   1.367
  112    HB2  DAL  17           HB3      DAL  17  22.748  -1.069   2.825
  113    H    ALA  18           HN       ALA  18  20.751  -1.032  -1.207
  114    HA   ALA  18           HA       ALA  18  21.151  -3.470  -2.589
  115    HB1  ALA  18           HB1      ALA  18  20.145  -0.816  -3.176
  116    HB2  ALA  18           HB2      ALA  18  19.680  -2.372  -3.863
  117    HB3  ALA  18           HB3      ALA  18  21.050  -1.488  -4.532
  118    H    LYS  19           HN       LYS  19  23.157  -0.492  -2.544
  119    HA   LYS  19           HA       LYS  19  25.122  -1.930  -4.215
  120    HB2  LYS  19           HB2      LYS  19  26.209   0.351  -4.407
  121    HB3  LYS  19           HB1      LYS  19  24.627   0.203  -5.169
  122    HG2  LYS  19           HG2      LYS  19  24.610   1.047  -2.328
  123    HG3  LYS  19           HG1      LYS  19  25.274   2.214  -3.471
  124    HD2  LYS  19           HD2      LYS  19  23.225   1.981  -4.861
  125    HD3  LYS  19           HD1      LYS  19  22.553   0.888  -3.651
  126    HE2  LYS  19           HE2      LYS  19  22.699   2.662  -1.955
  127    HE3  LYS  19           HE1      LYS  19  23.390   3.758  -3.148
  128    HZ1  LYS  19           HZ1      LYS  19  21.103   2.760  -4.301
  129    HZ2  LYS  19           HZ2      LYS  19  21.326   4.320  -3.664
  130    HZ3  LYS  19           HZ3      LYS  19  20.669   3.089  -2.694
  131    H    PHE  20           HN       PHE  20  24.602  -0.307  -1.193
  132    HA   PHE  20           HA       PHE  20  27.309  -0.977  -0.281
  133    HB2  PHE  20           HB2      PHE  20  25.147   0.681   1.051
  134    HB3  PHE  20           HB1      PHE  20  26.789   0.452   1.649
  135    HD1  PHE  20           HD1      PHE  20  24.667   2.227  -0.716
  136    HD2  PHE  20           HD2      PHE  20  28.735   1.320   0.322
  137    HE1  PHE  20           HE1      PHE  20  25.449   4.100  -2.142
  138    HE2  PHE  20           HE2      PHE  20  29.516   3.193  -1.103
  139    HZ   PHE  20           HZ       PHE  20  27.873   4.584  -2.335
  140    H    CYS  21           HN       CYS  21  27.225  -1.644   2.149
  141    HA   CYS  21           HA       CYS  21  26.828  -3.380   3.602
  142    HB2  CYS  21           HB2      CYS  21  24.642  -3.510   4.428
  143    HB3  CYS  21           HB1      CYS  21  24.707  -1.886   3.746
  Start of MODEL   15
    1    H1   ABA   1           HT1      ABU   1   4.632  -4.122  -4.923
    2    H2   ABA   1           HT2      ABU   1   4.892  -5.335  -3.761
    3    H3   ABA   1           HT3      ABU   1   6.035  -4.095  -3.970
    4    HA   ABA   1           HA       ABU   1   3.294  -3.848  -2.864
    5    HB2  ABA   1           HB2      ABU   1   5.215  -2.651  -1.209
    6    HG1  ABA   1           HG1      ABU   1   4.750  -4.820   0.155
    7    HG3  ABA   1           HG3      ABU   1   3.389  -3.767  -0.229
    8    HG2  ABA   1           HG2      ABU   1   3.663  -5.233  -1.170
    9    H    DBU   2           HN       DHB   2   6.275  -2.121  -3.810
   10    HB   DBU   2           HB       DHB   2   5.415   1.399  -5.632
   11    HG1  DBU   2           HG1      DHB   2   4.640  -1.480  -6.385
   12    HG2  DBU   2           HG2      DHB   2   5.300  -0.290  -7.506
   13    HG3  DBU   2           HG3      DHB   2   3.680  -0.073  -6.842
   14    HA   PRO   3           HA       PRO   3   6.845   3.016  -1.898
   15    HB2  PRO   3           HB2      PRO   3   4.612   3.909  -0.547
   16    HB3  PRO   3           HB1      PRO   3   5.121   4.507  -2.138
   17    HG2  PRO   3           HG2      PRO   3   3.018   2.522  -1.446
   18    HG3  PRO   3           HG1      PRO   3   3.024   3.776  -2.699
   19    HD2  PRO   3           HD2      PRO   3   3.474   1.146  -3.260
   20    HD3  PRO   3           HD1      PRO   3   4.212   2.465  -4.197
   21    H    ALA   4           HN       ALA   4   4.671   0.488  -0.826
   22    HA   ALA   4           HA       ALA   4   5.538   0.694   1.951
   23    HB1  ALA   4           HB1      ALA   4   3.981  -1.134   2.358
   24    HB2  ALA   4           HB2      ALA   4   3.761  -1.367   0.624
   25    HB3  ALA   4           HB3      ALA   4   3.189   0.112   1.395
   26    H    CYS   5           HN       CYS   5   6.220  -1.169  -0.915
   27    HA   CYS   5           HA       CYS   5   7.524  -3.354   0.362
   28    HB2  CYS   5           HB2      CYS   5   7.329  -2.304  -2.415
   29    HB3  CYS   5           HB1      CYS   5   8.689  -3.367  -2.044
   30    H    PHE   6           HN       PHE   6   8.599  -0.197  -0.804
   31    HA   PHE   6           HA       PHE   6  11.367  -0.608  -0.660
   32    HB2  PHE   6           HB2      PHE   6  10.872   1.423  -1.639
   33    HB3  PHE   6           HB1      PHE   6   9.580   1.783  -0.496
   34    HD1  PHE   6           HD1      PHE   6  12.948   0.624   0.513
   35    HD2  PHE   6           HD2      PHE   6  10.334   4.005   0.114
   36    HE1  PHE   6           HE1      PHE   6  14.496   1.972   1.895
   37    HE2  PHE   6           HE2      PHE   6  11.888   5.365   1.489
   38    HZ   PHE   6           HZ       PHE   6  13.970   4.352   2.379
   39    H    DBU   7           HN       DHB   7   9.127   0.619   1.865
   40    HB   DBU   7           HB       DHB   7  10.167  -0.502   5.591
   41    HG1  DBU   7           HG1      DHB   7   9.961  -2.758   4.128
   42    HG2  DBU   7           HG2      DHB   7   8.654  -1.881   3.337
   43    HG3  DBU   7           HG3      DHB   7   8.557  -2.241   5.060
   44    H    ILE   8           HN       ILE   8   9.293   2.181   5.010
   45    HA   ILE   8           HA       ILE   8  11.090   4.254   4.320
   46    HB   ILE   8           HB       ILE   8   9.218   3.923   6.667
   47   HG12  ILE   8          HG12      ILE   8   9.018   5.706   4.226
   48   HG13  ILE   8          HG11      ILE   8   8.315   4.087   4.288
   49   HG21  ILE   8          HG21      ILE   8  10.848   5.489   7.410
   50   HG22  ILE   8          HG22      ILE   8   9.520   6.469   6.787
   51   HG23  ILE   8          HG23      ILE   8  10.972   6.231   5.814
   52   HD11  ILE   8          HD11      ILE   8   7.524   6.558   5.783
   53   HD12  ILE   8          HD12      ILE   8   7.279   4.993   6.559
   54   HD13  ILE   8          HD13      ILE   8   6.506   5.341   5.013
   55    H    GLY   9           HN       GLY   9  10.981   2.084   7.137
   56    HA2  GLY   9           HA2      GLY   9  13.317   3.284   8.344
   57    HA3  GLY   9           HA1      GLY   9  12.464   1.855   8.910
   58    H    LEU  10           HN       LEU  10  13.209  -0.147   8.380
   59    HA   LEU  10           HA       LEU  10  15.888  -0.425   7.565
   60    HB2  LEU  10           HB2      LEU  10  15.657  -2.640   8.060
   61    HB3  LEU  10           HB1      LEU  10  14.234  -2.035   8.898
   62    HG   LEU  10           HG       LEU  10  13.558  -3.961   7.636
   63   HD11  LEU  10          HD11      LEU  10  11.664  -2.926   7.050
   64   HD12  LEU  10          HD12      LEU  10  12.442  -2.249   5.620
   65   HD13  LEU  10          HD13      LEU  10  12.497  -1.375   7.153
   66   HD21  LEU  10          HD21      LEU  10  14.416  -4.555   5.628
   67   HD22  LEU  10          HD22      LEU  10  15.605  -3.283   5.906
   68   HD23  LEU  10          HD23      LEU  10  14.164  -2.947   4.949
   69    H    GLY  11           HN       GLY  11  12.930  -0.330   5.784
   70    HA2  GLY  11           HA2      GLY  11  13.411  -1.643   3.454
   71    HA3  GLY  11           HA1      GLY  11  12.599  -0.087   3.530
   72    H    VAL  12           HN       VAL  12  15.111   1.142   4.656
   73    HA   VAL  12           HA       VAL  12  16.189   2.105   2.226
   74    HB   VAL  12           HB       VAL  12  16.263   3.287   4.450
   75   HG11  VAL  12          HG11      VAL  12  17.911   2.673   6.071
   76   HG12  VAL  12          HG12      VAL  12  18.650   1.501   4.978
   77   HG13  VAL  12          HG13      VAL  12  17.055   1.186   5.663
   78   HG21  VAL  12          HG21      VAL  12  18.447   4.296   4.035
   79   HG22  VAL  12          HG22      VAL  12  17.677   3.937   2.490
   80   HG23  VAL  12          HG23      VAL  12  18.954   2.887   3.104
   81    H    GLY  13           HN       GLY  13  17.244  -0.409   4.485
   82    HA2  GLY  13           HA2      GLY  13  19.770  -0.917   3.326
   83    HA3  GLY  13           HA1      GLY  13  18.844  -2.057   4.298
   84    H    ALA  14           HN       ALA  14  16.608  -2.499   2.812
   85    HA   ALA  14           HA       ALA  14  17.578  -4.239   0.770
   86    HB1  ALA  14           HB1      ALA  14  14.774  -3.657   0.488
   87    HB2  ALA  14           HB2      ALA  14  15.173  -3.876   2.191
   88    HB3  ALA  14           HB3      ALA  14  15.546  -5.148   1.027
   89    H    LEU  15           HN       LEU  15  15.938  -1.115   0.787
   90    HA   LEU  15           HA       LEU  15  15.686  -0.906  -2.047
   91    HB2  LEU  15           HB2      LEU  15  14.507   0.331  -0.002
   92    HB3  LEU  15           HB1      LEU  15  15.759   1.524  -0.339
   93    HG   LEU  15           HG       LEU  15  13.780   2.059  -1.644
   94   HD11  LEU  15          HD11      LEU  15  15.949   2.458  -2.711
   95   HD12  LEU  15          HD12      LEU  15  14.771   1.949  -3.920
   96   HD13  LEU  15          HD13      LEU  15  15.971   0.804  -3.322
   97   HD21  LEU  15          HD21      LEU  15  12.460   0.281  -2.149
   98   HD22  LEU  15          HD22      LEU  15  13.809  -0.850  -2.051
   99   HD23  LEU  15          HD23      LEU  15  13.524   0.057  -3.537
  100    H    PHE  16           HN       PHE  16  17.700   0.973   0.225
  101    HA   PHE  16           HA       PHE  16  19.474   1.693  -1.991
  102    HB2  PHE  16           HB2      PHE  16  18.860   3.578  -0.710
  103    HB3  PHE  16           HB1      PHE  16  19.116   2.727   0.814
  104    HD1  PHE  16           HD1      PHE  16  20.730   4.468  -1.986
  105    HD2  PHE  16           HD2      PHE  16  21.375   2.263   1.643
  106    HE1  PHE  16           HE1      PHE  16  23.090   5.234  -1.943
  107    HE2  PHE  16           HE2      PHE  16  23.736   3.031   1.688
  108    HZ   PHE  16           HZ       PHE  16  24.592   4.517  -0.105
  109    H    DAL  17           HN       DAL  17  19.449  -0.140   0.991
  110    HA   DAL  17           HA       DAL  17  21.023  -1.464   2.006
  111    HB1  DAL  17           HB2      DAL  17  23.042   0.106   0.393
  112    HB2  DAL  17           HB3      DAL  17  22.425   0.588   1.967
  113    H    ALA  18           HN       ALA  18  19.804  -1.923  -0.720
  114    HA   ALA  18           HA       ALA  18  20.950  -4.457  -1.210
  115    HB1  ALA  18           HB1      ALA  18  18.726  -4.343  -1.822
  116    HB2  ALA  18           HB2      ALA  18  19.512  -4.187  -3.392
  117    HB3  ALA  18           HB3      ALA  18  18.902  -2.754  -2.567
  118    H    LYS  19           HN       LYS  19  21.302  -1.364  -2.965
  119    HA   LYS  19           HA       LYS  19  23.252  -2.682  -4.741
  120    HB2  LYS  19           HB2      LYS  19  23.041  -0.687  -6.165
  121    HB3  LYS  19           HB1      LYS  19  21.469  -1.431  -5.885
  122    HG2  LYS  19           HG2      LYS  19  22.081   0.518  -3.820
  123    HG3  LYS  19           HG1      LYS  19  22.154   1.249  -5.422
  124    HD2  LYS  19           HD2      LYS  19  19.913   0.201  -5.914
  125    HD3  LYS  19           HD1      LYS  19  19.834  -0.289  -4.220
  126    HE2  LYS  19           HE2      LYS  19  20.211   2.160  -3.625
  127    HE3  LYS  19           HE1      LYS  19  19.937   2.525  -5.329
  128    HZ1  LYS  19           HZ1      LYS  19  17.775   2.450  -4.939
  129    HZ2  LYS  19           HZ2      LYS  19  18.041   2.022  -3.316
  130    HZ3  LYS  19           HZ3      LYS  19  17.904   0.815  -4.505
  131    H    PHE  20           HN       PHE  20  22.786  -0.177  -2.406
  132    HA   PHE  20           HA       PHE  20  25.629   0.557  -2.495
  133    HB2  PHE  20           HB2      PHE  20  23.250   1.881  -1.169
  134    HB3  PHE  20           HB1      PHE  20  24.914   2.439  -1.013
  135    HD1  PHE  20           HD1      PHE  20  21.985   2.266  -3.174
  136    HD2  PHE  20           HD2      PHE  20  26.169   3.230  -3.025
  137    HE1  PHE  20           HE1      PHE  20  21.781   3.480  -5.326
  138    HE2  PHE  20           HE2      PHE  20  25.964   4.446  -5.177
  139    HZ   PHE  20           HZ       PHE  20  23.770   4.571  -6.328
  140    H    CYS  21           HN       CYS  21  26.360   1.168  -0.153
  141    HA   CYS  21           HA       CYS  21  27.135   0.323   1.836
  142    HB2  CYS  21           HB2      CYS  21  25.489  -0.140   3.454
  143    HB3  CYS  21           HB1      CYS  21  24.668   0.931   2.320
  Start of MODEL   16
    1    H1   ABA   1           HT1      ABU   1   4.534  -6.327  -2.372
    2    H2   ABA   1           HT2      ABU   1   5.750  -5.394  -3.106
    3    H3   ABA   1           HT3      ABU   1   4.336  -5.783  -3.966
    4    HA   ABA   1           HA       ABU   1   3.030  -4.305  -2.799
    5    HB2  ABA   1           HB2      ABU   1   4.132  -3.223  -0.671
    6    HG1  ABA   1           HG1      ABU   1   2.130  -4.754  -0.771
    7    HG3  ABA   1           HG3      ABU   1   3.234  -6.118  -0.587
    8    HG2  ABA   1           HG2      ABU   1   3.086  -4.922   0.701
    9    H    DBU   2           HN       DHB   2   3.726  -1.848  -1.946
   10    HB   DBU   2           HB       DHB   2   5.660   0.622  -4.675
   11    HG1  DBU   2           HG1      DHB   2   4.010  -1.748  -5.524
   12    HG2  DBU   2           HG2      DHB   2   5.741  -1.912  -5.820
   13    HG3  DBU   2           HG3      DHB   2   4.841  -0.585  -6.559
   14    HA   PRO   3           HA       PRO   3   5.438   2.824  -0.889
   15    HB2  PRO   3           HB2      PRO   3   2.647   2.566   0.125
   16    HB3  PRO   3           HB1      PRO   3   3.511   4.005  -0.453
   17    HG2  PRO   3           HG2      PRO   3   1.638   2.823  -1.931
   18    HG3  PRO   3           HG1      PRO   3   3.083   3.540  -2.661
   19    HD2  PRO   3           HD2      PRO   3   2.432   0.653  -2.223
   20    HD3  PRO   3           HD1      PRO   3   3.350   1.416  -3.541
   21    H    ALA   4           HN       ALA   4   3.571   0.023   0.241
   22    HA   ALA   4           HA       ALA   4   4.535   0.349   2.971
   23    HB1  ALA   4           HB1      ALA   4   2.797  -1.761   1.673
   24    HB2  ALA   4           HB2      ALA   4   2.257  -0.424   2.690
   25    HB3  ALA   4           HB3      ALA   4   3.216  -1.732   3.386
   26    H    CYS   5           HN       CYS   5   5.251  -1.525   0.113
   27    HA   CYS   5           HA       CYS   5   6.865  -3.487   1.450
   28    HB2  CYS   5           HB2      CYS   5   6.294  -2.754  -1.381
   29    HB3  CYS   5           HB1      CYS   5   7.768  -3.667  -1.047
   30    H    PHE   6           HN       PHE   6   7.468  -0.404  -0.172
   31    HA   PHE   6           HA       PHE   6  10.276  -0.512  -0.228
   32    HB2  PHE   6           HB2      PHE   6   9.212   1.207  -1.479
   33    HB3  PHE   6           HB1      PHE   6   8.348   1.805  -0.062
   34    HD1  PHE   6           HD1      PHE   6  11.899   1.083  -1.096
   35    HD2  PHE   6           HD2      PHE   6   9.189   3.708   0.959
   36    HE1  PHE   6           HE1      PHE   6  13.779   2.624  -0.574
   37    HE2  PHE   6           HE2      PHE   6  11.065   5.243   1.472
   38    HZ   PHE   6           HZ       PHE   6  13.357   4.702   0.705
   39    H    DBU   7           HN       DHB   7   8.077   0.826   2.262
   40    HB   DBU   7           HB       DHB   7   9.229   0.626   6.035
   41    HG1  DBU   7           HG1      DHB   7   7.853  -1.363   4.250
   42    HG2  DBU   7           HG2      DHB   7   6.771  -0.182   4.991
   43    HG3  DBU   7           HG3      DHB   7   7.749  -1.243   6.008
   44    H    ILE   8           HN       ILE   8   9.552   2.824   5.538
   45    HA   ILE   8           HA       ILE   8  11.465   4.435   4.217
   46    HB   ILE   8           HB       ILE   8  10.600   4.331   7.114
   47   HG12  ILE   8          HG12      ILE   8   9.947   6.330   4.928
   48   HG13  ILE   8          HG11      ILE   8   8.918   4.949   5.316
   49   HG21  ILE   8          HG21      ILE   8  12.834   5.334   6.939
   50   HG22  ILE   8          HG22      ILE   8  11.635   6.583   7.270
   51   HG23  ILE   8          HG23      ILE   8  12.276   6.387   5.639
   52   HD11  ILE   8          HD11      ILE   8   8.228   5.848   7.311
   53   HD12  ILE   8          HD12      ILE   8   8.610   7.360   6.487
   54   HD13  ILE   8          HD13      ILE   8   9.773   6.646   7.604
   55    H    GLY   9           HN       GLY   9  11.786   2.073   6.859
   56    HA2  GLY   9           HA2      GLY   9  14.647   2.471   7.062
   57    HA3  GLY   9           HA1      GLY   9  13.691   1.277   7.934
   58    H    LEU  10           HN       LEU  10  12.604  -0.321   6.177
   59    HA   LEU  10           HA       LEU  10  14.732  -1.907   5.203
   60    HB2  LEU  10           HB2      LEU  10  13.125  -3.468   4.738
   61    HB3  LEU  10           HB1      LEU  10  12.173  -2.436   5.804
   62    HG   LEU  10           HG       LEU  10  11.565  -1.138   3.638
   63   HD11  LEU  10          HD11      LEU  10  13.162  -3.350   2.618
   64   HD12  LEU  10          HD12      LEU  10  12.588  -1.907   1.780
   65   HD13  LEU  10          HD13      LEU  10  11.551  -3.329   1.902
   66   HD21  LEU  10          HD21      LEU  10   9.600  -2.155   4.035
   67   HD22  LEU  10          HD22      LEU  10  10.443  -3.398   4.961
   68   HD23  LEU  10          HD23      LEU  10  10.180  -3.613   3.230
   69    H    GLY  11           HN       GLY  11  12.684   0.507   3.701
   70    HA2  GLY  11           HA2      GLY  11  13.133  -0.050   1.001
   71    HA3  GLY  11           HA1      GLY  11  12.795   1.548   1.657
   72    H    VAL  12           HN       VAL  12  15.003   2.019   3.217
   73    HA   VAL  12           HA       VAL  12  16.910   2.826   1.287
   74    HB   VAL  12           HB       VAL  12  16.371   3.648   3.773
   75   HG11  VAL  12          HG11      VAL  12  18.146   2.972   5.318
   76   HG12  VAL  12          HG12      VAL  12  18.832   1.903   4.095
   77   HG13  VAL  12          HG13      VAL  12  17.249   1.549   4.787
   78   HG21  VAL  12          HG21      VAL  12  19.235   3.869   2.961
   79   HG22  VAL  12          HG22      VAL  12  18.102   5.136   3.433
   80   HG23  VAL  12          HG23      VAL  12  18.012   4.430   1.818
   81    H    GLY  13           HN       GLY  13  16.828   0.141   3.604
   82    HA2  GLY  13           HA2      GLY  13  19.434  -0.841   3.077
   83    HA3  GLY  13           HA1      GLY  13  18.110  -1.764   3.782
   84    H    ALA  14           HN       ALA  14  16.269  -1.523   1.640
   85    HA   ALA  14           HA       ALA  14  17.161  -3.653  -0.033
   86    HB1  ALA  14           HB1      ALA  14  14.715  -1.935   0.118
   87    HB2  ALA  14           HB2      ALA  14  14.866  -3.686   0.271
   88    HB3  ALA  14           HB3      ALA  14  14.985  -2.925  -1.315
   89    H    LEU  15           HN       LEU  15  16.840  -0.181  -0.407
   90    HA   LEU  15           HA       LEU  15  17.716  -0.284  -3.203
   91    HB2  LEU  15           HB2      LEU  15  16.984   2.088  -1.481
   92    HB3  LEU  15           HB1      LEU  15  17.126   2.052  -3.235
   93    HG   LEU  15           HG       LEU  15  15.143   0.483  -1.593
   94   HD11  LEU  15          HD11      LEU  15  14.912   3.049  -1.969
   95   HD12  LEU  15          HD12      LEU  15  13.517   2.015  -2.279
   96   HD13  LEU  15          HD13      LEU  15  14.501   2.599  -3.623
   97   HD21  LEU  15          HD21      LEU  15  15.968  -0.646  -3.689
   98   HD22  LEU  15          HD22      LEU  15  15.373   0.737  -4.605
   99   HD23  LEU  15          HD23      LEU  15  14.244  -0.281  -3.711
  100    H    PHE  16           HN       PHE  16  18.562   1.645  -0.342
  101    HA   PHE  16           HA       PHE  16  21.144   2.328  -1.380
  102    HB2  PHE  16           HB2      PHE  16  19.992   3.862   0.103
  103    HB3  PHE  16           HB1      PHE  16  19.924   2.640   1.372
  104    HD1  PHE  16           HD1      PHE  16  22.255   4.711  -0.660
  105    HD2  PHE  16           HD2      PHE  16  21.767   2.219   2.802
  106    HE1  PHE  16           HE1      PHE  16  24.511   5.377   0.133
  107    HE2  PHE  16           HE2      PHE  16  24.021   2.888   3.601
  108    HZ   PHE  16           HZ       PHE  16  25.392   4.468   2.266
  109    H    DAL  17           HN       DAL  17  19.849  -0.105   0.791
  110    HA   DAL  17           HA       DAL  17  20.874  -1.790   1.989
  111    HB1  DAL  17           HB2      DAL  17  23.483  -0.429   1.294
  112    HB2  DAL  17           HB3      DAL  17  22.516  -0.064   2.717
  113    H    ALA  18           HN       ALA  18  20.321  -1.646  -0.936
  114    HA   ALA  18           HA       ALA  18  21.342  -4.210  -1.642
  115    HB1  ALA  18           HB1      ALA  18  19.658  -2.136  -2.952
  116    HB2  ALA  18           HB2      ALA  18  19.327  -3.845  -2.666
  117    HB3  ALA  18           HB3      ALA  18  20.398  -3.360  -3.982
  118    H    LYS  19           HN       LYS  19  22.292  -0.921  -2.582
  119    HA   LYS  19           HA       LYS  19  24.380  -2.058  -4.318
  120    HB2  LYS  19           HB2      LYS  19  24.515   0.680  -4.635
  121    HB3  LYS  19           HB1      LYS  19  23.601  -0.413  -5.675
  122    HG2  LYS  19           HG2      LYS  19  21.625  -0.121  -4.192
  123    HG3  LYS  19           HG1      LYS  19  22.539   1.035  -3.232
  124    HD2  LYS  19           HD2      LYS  19  21.260   2.346  -4.750
  125    HD3  LYS  19           HD1      LYS  19  22.896   2.333  -5.411
  126    HE2  LYS  19           HE2      LYS  19  22.319   0.681  -7.047
  127    HE3  LYS  19           HE1      LYS  19  20.776   0.347  -6.260
  128    HZ1  LYS  19           HZ1      LYS  19  21.225   3.106  -7.040
  129    HZ2  LYS  19           HZ2      LYS  19  19.823   2.155  -7.163
  130    HZ3  LYS  19           HZ3      LYS  19  21.057   2.010  -8.322
  131    H    PHE  20           HN       PHE  20  23.823  -0.625  -1.321
  132    HA   PHE  20           HA       PHE  20  26.715  -0.258  -0.865
  133    HB2  PHE  20           HB2      PHE  20  24.546   1.364   0.472
  134    HB3  PHE  20           HB1      PHE  20  26.286   1.646   0.505
  135    HD1  PHE  20           HD1      PHE  20  23.305   1.596  -1.706
  136    HD2  PHE  20           HD2      PHE  20  27.379   2.856  -1.233
  137    HE1  PHE  20           HE1      PHE  20  23.108   2.971  -3.749
  138    HE2  PHE  20           HE2      PHE  20  27.187   4.243  -3.283
  139    HZ   PHE  20           HZ       PHE  20  25.049   4.302  -4.542
  140    H    CYS  21           HN       CYS  21  26.971  -0.095   1.664
  141    HA   CYS  21           HA       CYS  21  27.041  -1.306   3.621
  142    HB2  CYS  21           HB2      CYS  21  24.972  -1.589   4.715
  143    HB3  CYS  21           HB1      CYS  21  24.688  -0.240   3.620
  Start of MODEL   17
    1    H1   ABA   1           HT1      ABU   1   6.130  -4.332  -5.956
    2    H2   ABA   1           HT2      ABU   1   4.728  -5.290  -5.879
    3    H3   ABA   1           HT3      ABU   1   6.142  -5.782  -5.077
    4    HA   ABA   1           HA       ABU   1   4.170  -4.610  -3.809
    5    HB2  ABA   1           HB2      ABU   1   6.037  -5.419  -2.602
    6    HG1  ABA   1           HG1      ABU   1   8.181  -5.116  -3.235
    7    HG3  ABA   1           HG3      ABU   1   7.525  -4.336  -4.673
    8    HG2  ABA   1           HG2      ABU   1   8.006  -3.363  -3.283
    9    H    DBU   2           HN       DHB   2   6.723  -2.303  -3.574
   10    HB   DBU   2           HB       DHB   2   5.488   1.166  -5.535
   11    HG1  DBU   2           HG1      DHB   2   3.725  -0.692  -6.445
   12    HG2  DBU   2           HG2      DHB   2   5.231  -1.541  -6.792
   13    HG3  DBU   2           HG3      DHB   2   4.912   0.028  -7.532
   14    HA   PRO   3           HA       PRO   3   7.511   2.424  -1.898
   15    HB2  PRO   3           HB2      PRO   3   5.457   3.857  -0.830
   16    HB3  PRO   3           HB1      PRO   3   6.115   4.166  -2.450
   17    HG2  PRO   3           HG2      PRO   3   3.638   2.727  -1.655
   18    HG3  PRO   3           HG1      PRO   3   3.933   3.795  -3.036
   19    HD2  PRO   3           HD2      PRO   3   3.891   1.042  -3.201
   20    HD3  PRO   3           HD1      PRO   3   4.757   2.099  -4.335
   21    H    ALA   4           HN       ALA   4   4.613   0.678  -0.866
   22    HA   ALA   4           HA       ALA   4   5.100   0.883   1.934
   23    HB1  ALA   4           HB1      ALA   4   3.606  -1.401   1.632
   24    HB2  ALA   4           HB2      ALA   4   3.214  -0.502   0.167
   25    HB3  ALA   4           HB3      ALA   4   2.948   0.231   1.749
   26    H    CYS   5           HN       CYS   5   6.228  -1.265  -0.578
   27    HA   CYS   5           HA       CYS   5   7.226  -3.255   1.273
   28    HB2  CYS   5           HB2      CYS   5   8.289  -3.200  -1.472
   29    HB3  CYS   5           HB1      CYS   5   7.554  -4.528  -0.569
   30    H    PHE   6           HN       PHE   6   8.353  -0.328  -0.199
   31    HA   PHE   6           HA       PHE   6  11.121  -0.768  -0.206
   32    HB2  PHE   6           HB2      PHE   6  10.482   1.200  -1.277
   33    HB3  PHE   6           HB1      PHE   6   9.395   1.674   0.026
   34    HD1  PHE   6           HD1      PHE   6  12.780   0.388   0.682
   35    HD2  PHE   6           HD2      PHE   6  10.358   3.911   0.282
   36    HE1  PHE   6           HE1      PHE   6  14.577   1.730   1.718
   37    HE2  PHE   6           HE2      PHE   6  12.164   5.266   1.313
   38    HZ   PHE   6           HZ       PHE   6  14.276   4.177   2.032
   39    H    DBU   7           HN       DHB   7   9.046   0.631   2.362
   40    HB   DBU   7           HB       DHB   7  10.218  -0.258   6.088
   41    HG1  DBU   7           HG1      DHB   7   9.191  -2.356   5.799
   42    HG2  DBU   7           HG2      DHB   7   9.740  -2.388   4.122
   43    HG3  DBU   7           HG3      DHB   7   8.203  -1.625   4.533
   44    H    ILE   8           HN       ILE   8   9.334   2.371   5.379
   45    HA   ILE   8           HA       ILE   8  11.147   4.390   4.552
   46    HB   ILE   8           HB       ILE   8   9.324   4.195   6.956
   47   HG12  ILE   8          HG12      ILE   8   8.245   4.228   4.706
   48   HG13  ILE   8          HG11      ILE   8   7.894   5.688   5.633
   49   HG21  ILE   8          HG21      ILE   8   9.975   6.885   6.194
   50   HG22  ILE   8          HG22      ILE   8  11.473   5.999   6.480
   51   HG23  ILE   8          HG23      ILE   8  10.247   6.090   7.744
   52   HD11  ILE   8          HD11      ILE   8   9.852   5.354   3.356
   53   HD12  ILE   8          HD12      ILE   8   9.916   6.734   4.452
   54   HD13  ILE   8          HD13      ILE   8   8.483   6.462   3.461
   55    H    GLY   9           HN       GLY   9  11.012   2.354   7.461
   56    HA2  GLY   9           HA2      GLY   9  13.348   3.527   8.649
   57    HA3  GLY   9           HA1      GLY   9  12.536   2.056   9.173
   58    H    LEU  10           HN       LEU  10  13.463   0.151   8.750
   59    HA   LEU  10           HA       LEU  10  16.093  -0.017   7.768
   60    HB2  LEU  10           HB2      LEU  10  15.976  -2.239   8.314
   61    HB3  LEU  10           HB1      LEU  10  14.549  -1.692   9.193
   62    HG   LEU  10           HG       LEU  10  13.261  -2.152   6.995
   63   HD11  LEU  10          HD11      LEU  10  15.974  -3.129   6.369
   64   HD12  LEU  10          HD12      LEU  10  14.668  -2.656   5.280
   65   HD13  LEU  10          HD13      LEU  10  14.684  -4.272   5.991
   66   HD21  LEU  10          HD21      LEU  10  13.115  -3.525   9.075
   67   HD22  LEU  10          HD22      LEU  10  14.471  -4.495   8.501
   68   HD23  LEU  10          HD23      LEU  10  12.947  -4.498   7.614
   69    H    GLY  11           HN       GLY  11  12.994  -0.233   6.197
   70    HA2  GLY  11           HA2      GLY  11  13.358  -1.578   3.893
   71    HA3  GLY  11           HA1      GLY  11  12.518  -0.034   3.942
   72    H    VAL  12           HN       VAL  12  15.161   1.183   4.882
   73    HA   VAL  12           HA       VAL  12  16.029   2.209   2.409
   74    HB   VAL  12           HB       VAL  12  16.393   3.298   4.629
   75   HG11  VAL  12          HG11      VAL  12  18.167   2.513   6.082
   76   HG12  VAL  12          HG12      VAL  12  18.601   1.240   4.940
   77   HG13  VAL  12          HG13      VAL  12  17.059   1.172   5.796
   78   HG21  VAL  12          HG21      VAL  12  19.099   2.833   3.405
   79   HG22  VAL  12          HG22      VAL  12  18.373   4.343   3.955
   80   HG23  VAL  12          HG23      VAL  12  17.839   3.605   2.446
   81    H    GLY  13           HN       GLY  13  17.200  -0.496   4.382
   82    HA2  GLY  13           HA2      GLY  13  19.590  -1.035   3.040
   83    HA3  GLY  13           HA1      GLY  13  18.609  -2.241   3.871
   84    H    ALA  14           HN       ALA  14  16.290  -2.191   2.377
   85    HA   ALA  14           HA       ALA  14  17.039  -3.762   0.115
   86    HB1  ALA  14           HB1      ALA  14  15.000  -4.439   1.003
   87    HB2  ALA  14           HB2      ALA  14  14.472  -3.471  -0.374
   88    HB3  ALA  14           HB3      ALA  14  14.441  -2.785   1.251
   89    H    LEU  15           HN       LEU  15  15.969  -0.451   0.584
   90    HA   LEU  15           HA       LEU  15  15.632   0.130  -2.205
   91    HB2  LEU  15           HB2      LEU  15  14.414   1.473  -0.667
   92    HB3  LEU  15           HB1      LEU  15  15.866   1.865   0.254
   93    HG   LEU  15           HG       LEU  15  16.753   2.920  -1.917
   94   HD11  LEU  15          HD11      LEU  15  14.159   1.938  -2.753
   95   HD12  LEU  15          HD12      LEU  15  15.471   2.592  -3.735
   96   HD13  LEU  15          HD13      LEU  15  14.285   3.678  -3.008
   97   HD21  LEU  15          HD21      LEU  15  15.462   3.997   0.190
   98   HD22  LEU  15          HD22      LEU  15  14.316   4.420  -1.083
   99   HD23  LEU  15          HD23      LEU  15  15.990   4.965  -1.186
  100    H    PHE  16           HN       PHE  16  17.972   1.474   0.122
  101    HA   PHE  16           HA       PHE  16  19.830   1.962  -2.099
  102    HB2  PHE  16           HB2      PHE  16  19.394   3.126   0.587
  103    HB3  PHE  16           HB1      PHE  16  21.070   3.033   0.047
  104    HD1  PHE  16           HD1      PHE  16  17.763   4.512  -0.592
  105    HD2  PHE  16           HD2      PHE  16  21.829   4.231  -1.939
  106    HE1  PHE  16           HE1      PHE  16  17.407   6.475  -2.067
  107    HE2  PHE  16           HE2      PHE  16  21.476   6.194  -3.416
  108    HZ   PHE  16           HZ       PHE  16  19.264   7.316  -3.480
  109    H    DAL  17           HN       DAL  17  19.472   0.055   0.808
  110    HA   DAL  17           HA       DAL  17  20.758  -1.587   1.750
  111    HB1  DAL  17           HB2      DAL  17  23.058  -0.271   0.314
  112    HB2  DAL  17           HB3      DAL  17  22.445   0.242   1.878
  113    H    ALA  18           HN       ALA  18  19.580  -1.705  -1.021
  114    HA   ALA  18           HA       ALA  18  20.444  -4.337  -1.656
  115    HB1  ALA  18           HB1      ALA  18  18.223  -3.907  -2.238
  116    HB2  ALA  18           HB2      ALA  18  19.044  -3.834  -3.797
  117    HB3  ALA  18           HB3      ALA  18  18.611  -2.344  -2.958
  118    H    LYS  19           HN       LYS  19  21.096  -1.166  -3.119
  119    HA   LYS  19           HA       LYS  19  22.911  -2.458  -5.041
  120    HB2  LYS  19           HB2      LYS  19  22.791  -0.436  -6.320
  121    HB3  LYS  19           HB1      LYS  19  21.142  -0.801  -5.817
  122    HG2  LYS  19           HG2      LYS  19  22.576   0.824  -3.853
  123    HG3  LYS  19           HG1      LYS  19  22.460   1.611  -5.426
  124    HD2  LYS  19           HD2      LYS  19  19.965   0.917  -5.369
  125    HD3  LYS  19           HD1      LYS  19  20.224   0.653  -3.644
  126    HE2  LYS  19           HE2      LYS  19  19.431   2.918  -3.923
  127    HE3  LYS  19           HE1      LYS  19  21.142   2.996  -3.504
  128    HZ1  LYS  19           HZ1      LYS  19  21.728   3.631  -5.595
  129    HZ2  LYS  19           HZ2      LYS  19  20.183   4.335  -5.521
  130    HZ3  LYS  19           HZ3      LYS  19  20.411   2.861  -6.336
  131    H    PHE  20           HN       PHE  20  22.788  -0.491  -2.232
  132    HA   PHE  20           HA       PHE  20  25.703  -0.034  -2.362
  133    HB2  PHE  20           HB2      PHE  20  23.633   1.585  -0.848
  134    HB3  PHE  20           HB1      PHE  20  25.369   1.895  -0.894
  135    HD1  PHE  20           HD1      PHE  20  23.472   3.990  -1.727
  136    HD2  PHE  20           HD2      PHE  20  25.210   0.778  -3.985
  137    HE1  PHE  20           HE1      PHE  20  23.179   5.298  -3.814
  138    HE2  PHE  20           HE2      PHE  20  24.915   2.083  -6.070
  139    HZ   PHE  20           HZ       PHE  20  23.901   4.344  -5.986
  140    H    CYS  21           HN       CYS  21  26.409   0.432   0.071
  141    HA   CYS  21           HA       CYS  21  27.017  -0.611   2.030
  142    HB2  CYS  21           HB2      CYS  21  25.245  -1.076   3.541
  143    HB3  CYS  21           HB1      CYS  21  24.639   0.212   2.500
  Start of MODEL   18
    1    H1   ABA   1           HT1      ABU   1   6.149  -6.042  -3.374
    2    H2   ABA   1           HT2      ABU   1   5.009  -5.130  -4.245
    3    H3   ABA   1           HT3      ABU   1   4.493  -6.236  -3.063
    4    HA   ABA   1           HA       ABU   1   5.495  -4.933  -1.323
    5    HB2  ABA   1           HB2      ABU   1   7.078  -3.384  -1.758
    6    HG1  ABA   1           HG1      ABU   1   6.615  -4.212  -4.640
    7    HG3  ABA   1           HG3      ABU   1   7.992  -3.258  -4.087
    8    HG2  ABA   1           HG2      ABU   1   7.783  -4.915  -3.520
    9    H    DBU   2           HN       DHB   2   4.641  -2.537  -0.774
   10    HB   DBU   2           HB       DHB   2   0.566  -1.763  -0.976
   11    HG1  DBU   2           HG1      DHB   2   1.852  -4.542  -0.944
   12    HG2  DBU   2           HG2      DHB   2   0.403  -4.188  -1.885
   13    HG3  DBU   2           HG3      DHB   2   0.361  -4.080  -0.125
   14    HA   PRO   3           HA       PRO   3   2.425   2.160  -1.297
   15    HB2  PRO   3           HB2      PRO   3   2.016   3.008   1.279
   16    HB3  PRO   3           HB1      PRO   3   0.705   2.537   0.180
   17    HG2  PRO   3           HG2      PRO   3   1.989   0.983   2.369
   18    HG3  PRO   3           HG1      PRO   3   0.283   1.071   1.895
   19    HD2  PRO   3           HD2      PRO   3   1.893  -1.029   1.212
   20    HD3  PRO   3           HD1      PRO   3   0.533  -0.489   0.203
   21    H    ALA   4           HN       ALA   4   4.176   0.394   1.160
   22    HA   ALA   4           HA       ALA   4   6.279   2.465   1.195
   23    HB1  ALA   4           HB1      ALA   4   6.398   0.184   3.078
   24    HB2  ALA   4           HB2      ALA   4   5.064   1.315   3.313
   25    HB3  ALA   4           HB3      ALA   4   6.730   1.894   3.354
   26    H    CYS   5           HN       CYS   5   5.699   0.171  -0.788
   27    HA   CYS   5           HA       CYS   5   7.260  -1.947  -0.828
   28    HB2  CYS   5           HB2      CYS   5   6.970   0.170  -2.925
   29    HB3  CYS   5           HB1      CYS   5   8.044  -1.199  -3.202
   30    H    PHE   6           HN       PHE   6   8.590   1.317  -1.361
   31    HA   PHE   6           HA       PHE   6  11.278   0.517  -1.553
   32    HB2  PHE   6           HB2      PHE   6  10.956   2.707  -2.241
   33    HB3  PHE   6           HB1      PHE   6   9.883   3.082  -0.893
   34    HD1  PHE   6           HD1      PHE   6  13.112   1.317  -0.474
   35    HD2  PHE   6           HD2      PHE   6  11.056   5.077  -0.166
   36    HE1  PHE   6           HE1      PHE   6  14.999   2.234   0.843
   37    HE2  PHE   6           HE2      PHE   6  12.949   6.003   1.142
   38    HZ   PHE   6           HZ       PHE   6  14.919   4.584   1.648
   39    H    DBU   7           HN       DHB   7   9.416   1.689   1.281
   40    HB   DBU   7           HB       DHB   7  10.456  -0.029   4.769
   41    HG1  DBU   7           HG1      DHB   7   9.064  -1.809   4.148
   42    HG2  DBU   7           HG2      DHB   7   9.760  -1.736   2.528
   43    HG3  DBU   7           HG3      DHB   7   8.327  -0.782   2.916
   44    H    ILE   8           HN       ILE   8   9.869   2.903   4.407
   45    HA   ILE   8           HA       ILE   8  11.999   4.711   3.943
   46    HB   ILE   8           HB       ILE   8  10.025   4.494   6.221
   47   HG12  ILE   8          HG12      ILE   8   9.081   4.985   3.979
   48   HG13  ILE   8          HG11      ILE   8   8.942   6.376   5.057
   49   HG21  ILE   8          HG21      ILE   8  12.313   5.726   6.611
   50   HG22  ILE   8          HG22      ILE   8  10.810   6.520   7.080
   51   HG23  ILE   8          HG23      ILE   8  11.608   6.965   5.572
   52   HD11  ILE   8          HD11      ILE   8  11.479   6.560   3.788
   53   HD12  ILE   8          HD12      ILE   8  10.082   7.615   3.568
   54   HD13  ILE   8          HD13      ILE   8  10.295   6.206   2.529
   55    H    GLY   9           HN       GLY   9  11.404   2.353   6.535
   56    HA2  GLY   9           HA2      GLY   9  13.874   3.000   7.900
   57    HA3  GLY   9           HA1      GLY   9  12.757   1.704   8.315
   58    H    LEU  10           HN       LEU  10  13.024  -0.336   7.414
   59    HA   LEU  10           HA       LEU  10  15.643  -1.113   6.747
   60    HB2  LEU  10           HB2      LEU  10  14.253  -2.767   7.679
   61    HB3  LEU  10           HB1      LEU  10  12.953  -2.446   6.533
   62    HG   LEU  10           HG       LEU  10  14.334  -4.542   6.117
   63   HD11  LEU  10          HD11      LEU  10  13.107  -2.785   4.371
   64   HD12  LEU  10          HD12      LEU  10  13.671  -4.404   3.956
   65   HD13  LEU  10          HD13      LEU  10  14.700  -3.004   3.644
   66   HD21  LEU  10          HD21      LEU  10  16.385  -3.089   4.648
   67   HD22  LEU  10          HD22      LEU  10  16.568  -4.404   5.808
   68   HD23  LEU  10          HD23      LEU  10  16.456  -2.739   6.373
   69    H    GLY  11           HN       GLY  11  12.782  -0.481   4.790
   70    HA2  GLY  11           HA2      GLY  11  13.239  -1.352   2.335
   71    HA3  GLY  11           HA1      GLY  11  12.753   0.314   2.597
   72    H    VAL  12           HN       VAL  12  15.302   0.945   3.973
   73    HA   VAL  12           HA       VAL  12  16.755   1.962   1.799
   74    HB   VAL  12           HB       VAL  12  16.884   2.749   4.183
   75   HG11  VAL  12          HG11      VAL  12  17.084   0.395   5.103
   76   HG12  VAL  12          HG12      VAL  12  18.242   1.548   5.767
   77   HG13  VAL  12          HG13      VAL  12  18.755   0.392   4.536
   78   HG21  VAL  12          HG21      VAL  12  19.661   2.024   3.301
   79   HG22  VAL  12          HG22      VAL  12  19.057   3.557   3.931
   80   HG23  VAL  12          HG23      VAL  12  18.679   3.073   2.277
   81    H    GLY  13           HN       GLY  13  17.284  -0.957   3.766
   82    HA2  GLY  13           HA2      GLY  13  19.644  -1.780   2.436
   83    HA3  GLY  13           HA1      GLY  13  18.594  -2.816   3.400
   84    H    ALA  14           HN       ALA  14  16.224  -2.194   1.766
   85    HA   ALA  14           HA       ALA  14  16.405  -4.306  -0.095
   86    HB1  ALA  14           HB1      ALA  14  14.402  -2.226   0.601
   87    HB2  ALA  14           HB2      ALA  14  14.211  -3.973   0.459
   88    HB3  ALA  14           HB3      ALA  14  14.245  -2.969  -0.991
   89    H    LEU  15           HN       LEU  15  16.422  -0.780  -0.559
   90    HA   LEU  15           HA       LEU  15  17.206  -1.199  -3.364
   91    HB2  LEU  15           HB2      LEU  15  16.029   0.661  -3.876
   92    HB3  LEU  15           HB1      LEU  15  15.305   0.464  -2.283
   93    HG   LEU  15           HG       LEU  15  17.889   1.989  -2.536
   94   HD11  LEU  15          HD11      LEU  15  15.113   2.954  -3.239
   95   HD12  LEU  15          HD12      LEU  15  16.595   3.128  -4.182
   96   HD13  LEU  15          HD13      LEU  15  16.378   4.059  -2.700
   97   HD21  LEU  15          HD21      LEU  15  17.440   2.272  -0.342
   98   HD22  LEU  15          HD22      LEU  15  15.941   1.366  -0.520
   99   HD23  LEU  15          HD23      LEU  15  15.956   3.108  -0.779
  100    H    PHE  16           HN       PHE  16  18.067   0.669  -0.489
  101    HA   PHE  16           HA       PHE  16  20.530   1.633  -1.627
  102    HB2  PHE  16           HB2      PHE  16  19.070   2.737   0.208
  103    HB3  PHE  16           HB1      PHE  16  19.887   1.634   1.313
  104    HD1  PHE  16           HD1      PHE  16  20.814   3.804  -1.605
  105    HD2  PHE  16           HD2      PHE  16  21.748   2.516   2.382
  106    HE1  PHE  16           HE1      PHE  16  22.778   5.318  -1.580
  107    HE2  PHE  16           HE2      PHE  16  23.715   4.028   2.410
  108    HZ   PHE  16           HZ       PHE  16  24.229   5.430   0.429
  109    H    DAL  17           HN       DAL  17  19.532  -1.027   0.419
  110    HA   DAL  17           HA       DAL  17  20.681  -2.834   1.260
  111    HB1  DAL  17           HB2      DAL  17  23.307  -1.470   1.120
  112    HB2  DAL  17           HB3      DAL  17  22.084  -0.721   2.144
  113    H    ALA  18           HN       ALA  18  20.714  -1.911  -1.733
  114    HA   ALA  18           HA       ALA  18  22.038  -4.241  -2.700
  115    HB1  ALA  18           HB1      ALA  18  21.630  -2.189  -4.711
  116    HB2  ALA  18           HB2      ALA  18  20.203  -2.387  -3.694
  117    HB3  ALA  18           HB3      ALA  18  20.869  -3.773  -4.558
  118    H    LYS  19           HN       LYS  19  22.890  -0.757  -2.818
  119    HA   LYS  19           HA       LYS  19  25.562  -1.555  -3.792
  120    HB2  LYS  19           HB2      LYS  19  25.653   1.058  -4.135
  121    HB3  LYS  19           HB1      LYS  19  24.819   0.027  -5.297
  122    HG2  LYS  19           HG2      LYS  19  23.351   1.171  -2.930
  123    HG3  LYS  19           HG1      LYS  19  23.571   2.127  -4.392
  124    HD2  LYS  19           HD2      LYS  19  22.709  -0.293  -5.405
  125    HD3  LYS  19           HD1      LYS  19  21.783  -0.160  -3.908
  126    HE2  LYS  19           HE2      LYS  19  21.966   2.298  -5.569
  127    HE3  LYS  19           HE1      LYS  19  20.976   0.985  -6.207
  128    HZ1  LYS  19           HZ1      LYS  19  20.250   2.809  -4.286
  129    HZ2  LYS  19           HZ2      LYS  19  20.519   1.368  -3.427
  130    HZ3  LYS  19           HZ3      LYS  19  19.410   1.400  -4.713
  131    H    PHE  20           HN       PHE  20  23.918   0.433  -1.359
  132    HA   PHE  20           HA       PHE  20  26.420   0.431   0.220
  133    HB2  PHE  20           HB2      PHE  20  24.450   2.722   0.128
  134    HB3  PHE  20           HB1      PHE  20  26.047   2.701   0.879
  135    HD1  PHE  20           HD1      PHE  20  24.204   2.779  -2.306
  136    HD2  PHE  20           HD2      PHE  20  28.080   2.864  -0.459
  137    HE1  PHE  20           HE1      PHE  20  25.206   3.511  -4.449
  138    HE2  PHE  20           HE2      PHE  20  29.085   3.599  -2.606
  139    HZ   PHE  20           HZ       PHE  20  27.648   3.923  -4.601
  140    H    CYS  21           HN       CYS  21  26.136  -0.518   2.155
  141    HA   CYS  21           HA       CYS  21  23.440  -0.405   3.370
  142    HB2  CYS  21           HB2      CYS  21  25.098  -2.718   2.714
  143    HB3  CYS  21           HB1      CYS  21  24.617  -2.682   4.409
  Start of MODEL   19
    1    H1   ABA   1           HT1      ABU   1   3.179  -3.328  -4.216
    2    H2   ABA   1           HT2      ABU   1   2.408  -2.240  -3.164
    3    H3   ABA   1           HT3      ABU   1   2.307  -3.914  -2.885
    4    HA   ABA   1           HA       ABU   1   3.863  -3.053  -1.353
    5    HB2  ABA   1           HB2      ABU   1   4.372  -5.119  -2.993
    6    HG1  ABA   1           HG1      ABU   1   5.634  -4.248  -4.719
    7    HG3  ABA   1           HG3      ABU   1   6.375  -3.012  -3.706
    8    HG2  ABA   1           HG2      ABU   1   6.913  -4.679  -3.590
    9    H    DBU   2           HN       DHB   2   3.775  -1.531  -4.385
   10    HB   DBU   2           HB       DHB   2   5.558   1.598  -5.656
   11    HG1  DBU   2           HG1      DHB   2   4.744  -0.006  -7.491
   12    HG2  DBU   2           HG2      DHB   2   3.434   1.016  -6.898
   13    HG3  DBU   2           HG3      DHB   2   3.575  -0.651  -6.338
   14    HA   PRO   3           HA       PRO   3   7.429   2.324  -1.719
   15    HB2  PRO   3           HB2      PRO   3   5.783   3.904  -0.236
   16    HB3  PRO   3           HB1      PRO   3   6.289   4.314  -1.886
   17    HG2  PRO   3           HG2      PRO   3   3.698   3.290  -0.901
   18    HG3  PRO   3           HG1      PRO   3   4.052   4.341  -2.281
   19    HD2  PRO   3           HD2      PRO   3   3.509   1.580  -2.407
   20    HD3  PRO   3           HD1      PRO   3   4.192   2.568  -3.713
   21    H    ALA   4           HN       ALA   4   4.549   0.644  -0.652
   22    HA   ALA   4           HA       ALA   4   5.191   0.541   2.126
   23    HB1  ALA   4           HB1      ALA   4   2.913   0.175   1.388
   24    HB2  ALA   4           HB2      ALA   4   3.493  -1.296   2.168
   25    HB3  ALA   4           HB3      ALA   4   3.411  -1.204   0.410
   26    H    CYS   5           HN       CYS   5   5.996  -1.464  -0.627
   27    HA   CYS   5           HA       CYS   5   7.089  -3.617   0.924
   28    HB2  CYS   5           HB2      CYS   5   7.019  -2.922  -1.980
   29    HB3  CYS   5           HB1      CYS   5   8.128  -4.164  -1.413
   30    H    PHE   6           HN       PHE   6   8.304  -0.716  -0.653
   31    HA   PHE   6           HA       PHE   6  11.045  -1.281  -0.591
   32    HB2  PHE   6           HB2      PHE   6  10.548   0.635  -1.804
   33    HB3  PHE   6           HB1      PHE   6   9.418   1.235  -0.591
   34    HD1  PHE   6           HD1      PHE   6  12.794  -0.081   0.171
   35    HD2  PHE   6           HD2      PHE   6  10.375   3.434  -0.306
   36    HE1  PHE   6           HE1      PHE   6  14.586   1.283   1.198
   37    HE2  PHE   6           HE2      PHE   6  12.171   4.805   0.713
   38    HZ   PHE   6           HZ       PHE   6  14.277   3.731   1.465
   39    H    DBU   7           HN       DHB   7   9.010   0.365   1.846
   40    HB   DBU   7           HB       DHB   7  10.140  -0.324   5.632
   41    HG1  DBU   7           HG1      DHB   7   8.596  -2.151   5.414
   42    HG2  DBU   7           HG2      DHB   7   9.864  -2.727   4.330
   43    HG3  DBU   7           HG3      DHB   7   8.448  -1.904   3.673
   44    H    ILE   8           HN       ILE   8   9.247   2.271   4.712
   45    HA   ILE   8           HA       ILE   8  11.097   4.215   3.796
   46    HB   ILE   8           HB       ILE   8   9.203   4.216   6.152
   47   HG12  ILE   8          HG12      ILE   8   8.160   4.081   3.909
   48   HG13  ILE   8          HG11      ILE   8   7.850   5.647   4.663
   49   HG21  ILE   8          HG21      ILE   8  11.141   6.253   5.114
   50   HG22  ILE   8          HG22      ILE   8  10.676   5.899   6.778
   51   HG23  ILE   8          HG23      ILE   8   9.584   6.805   5.731
   52   HD11  ILE   8          HD11      ILE   8   8.508   6.183   2.452
   53   HD12  ILE   8          HD12      ILE   8   9.803   4.985   2.457
   54   HD13  ILE   8          HD13      ILE   8   9.959   6.457   3.417
   55    H    GLY   9           HN       GLY   9  10.860   2.390   6.831
   56    HA2  GLY   9           HA2      GLY   9  13.173   3.630   8.000
   57    HA3  GLY   9           HA1      GLY   9  12.320   2.221   8.618
   58    H    LEU  10           HN       LEU  10  13.137   0.221   8.262
   59    HA   LEU  10           HA       LEU  10  15.829  -0.074   7.494
   60    HB2  LEU  10           HB2      LEU  10  15.580  -2.268   8.103
   61    HB3  LEU  10           HB1      LEU  10  14.117  -1.633   8.855
   62    HG   LEU  10           HG       LEU  10  12.977  -2.123   6.583
   63   HD11  LEU  10          HD11      LEU  10  14.387  -4.339   5.774
   64   HD12  LEU  10          HD12      LEU  10  15.685  -3.223   6.200
   65   HD13  LEU  10          HD13      LEU  10  14.480  -2.755   4.999
   66   HD21  LEU  10          HD21      LEU  10  13.377  -4.779   7.394
   67   HD22  LEU  10          HD22      LEU  10  12.108  -3.688   7.952
   68   HD23  LEU  10          HD23      LEU  10  13.619  -3.818   8.854
   69    H    GLY  11           HN       GLY  11  12.826  -0.355   5.705
   70    HA2  GLY  11           HA2      GLY  11  13.349  -1.762   3.486
   71    HA3  GLY  11           HA1      GLY  11  12.533  -0.206   3.416
   72    H    VAL  12           HN       VAL  12  15.056   1.079   4.481
   73    HA   VAL  12           HA       VAL  12  16.149   1.927   2.013
   74    HB   VAL  12           HB       VAL  12  16.273   3.219   4.149
   75   HG11  VAL  12          HG11      VAL  12  16.940   1.025   5.422
   76   HG12  VAL  12          HG12      VAL  12  17.621   2.565   5.947
   77   HG13  VAL  12          HG13      VAL  12  18.583   1.467   4.955
   78   HG21  VAL  12          HG21      VAL  12  18.403   4.168   3.688
   79   HG22  VAL  12          HG22      VAL  12  17.890   3.470   2.152
   80   HG23  VAL  12          HG23      VAL  12  19.064   2.621   3.158
   81    H    GLY  13           HN       GLY  13  17.219  -0.524   4.360
   82    HA2  GLY  13           HA2      GLY  13  19.723  -1.121   3.262
   83    HA3  GLY  13           HA1      GLY  13  18.718  -2.256   4.162
   84    H    ALA  14           HN       ALA  14  16.512  -2.456   2.504
   85    HA   ALA  14           HA       ALA  14  17.461  -4.267   0.506
   86    HB1  ALA  14           HB1      ALA  14  15.248  -4.395   1.772
   87    HB2  ALA  14           HB2      ALA  14  15.178  -4.705   0.037
   88    HB3  ALA  14           HB3      ALA  14  14.668  -3.141   0.675
   89    H    LEU  15           HN       LEU  15  16.258  -0.961   0.497
   90    HA   LEU  15           HA       LEU  15  16.304  -0.793  -2.402
   91    HB2  LEU  15           HB2      LEU  15  14.589   0.505  -1.466
   92    HB3  LEU  15           HB1      LEU  15  15.628   1.116  -0.180
   93    HG   LEU  15           HG       LEU  15  16.839   1.859  -2.632
   94   HD11  LEU  15          HD11      LEU  15  13.920   1.802  -2.753
   95   HD12  LEU  15          HD12      LEU  15  15.093   2.022  -4.052
   96   HD13  LEU  15          HD13      LEU  15  14.593   3.400  -3.069
   97   HD21  LEU  15          HD21      LEU  15  17.210   3.476  -1.100
   98   HD22  LEU  15          HD22      LEU  15  15.748   3.071  -0.200
   99   HD23  LEU  15          HD23      LEU  15  15.653   4.129  -1.608
  100    H    PHE  16           HN       PHE  16  17.806   1.264   0.090
  101    HA   PHE  16           HA       PHE  16  19.898   2.071  -1.718
  102    HB2  PHE  16           HB2      PHE  16  19.213   3.715  -0.158
  103    HB3  PHE  16           HB1      PHE  16  19.341   2.594   1.197
  104    HD1  PHE  16           HD1      PHE  16  21.272   4.559  -1.283
  105    HD2  PHE  16           HD2      PHE  16  21.440   2.126   2.252
  106    HE1  PHE  16           HE1      PHE  16  23.634   5.236  -0.934
  107    HE2  PHE  16           HE2      PHE  16  23.805   2.806   2.606
  108    HZ   PHE  16           HZ       PHE  16  24.900   4.359   1.011
  109    H    DAL  17           HN       DAL  17  19.556  -0.256   0.877
  110    HA   DAL  17           HA       DAL  17  21.022  -1.759   1.804
  111    HB1  DAL  17           HB2      DAL  17  23.199  -0.176   0.462
  112    HB2  DAL  17           HB3      DAL  17  22.527   0.204   2.037
  113    H    ALA  18           HN       ALA  18  19.936  -1.723  -1.078
  114    HA   ALA  18           HA       ALA  18  20.944  -4.271  -1.823
  115    HB1  ALA  18           HB1      ALA  18  19.735  -3.271  -4.094
  116    HB2  ALA  18           HB2      ALA  18  18.939  -2.374  -2.802
  117    HB3  ALA  18           HB3      ALA  18  18.911  -4.136  -2.796
  118    H    LYS  19           HN       LYS  19  21.550  -0.991  -3.050
  119    HA   LYS  19           HA       LYS  19  23.589  -2.073  -4.870
  120    HB2  LYS  19           HB2      LYS  19  23.537   0.171  -5.908
  121    HB3  LYS  19           HB1      LYS  19  21.949  -0.596  -5.911
  122    HG2  LYS  19           HG2      LYS  19  22.461   0.958  -3.482
  123    HG3  LYS  19           HG1      LYS  19  22.495   1.940  -4.947
  124    HD2  LYS  19           HD2      LYS  19  20.304   0.773  -5.593
  125    HD3  LYS  19           HD1      LYS  19  20.250   0.195  -3.927
  126    HE2  LYS  19           HE2      LYS  19  19.031   2.186  -3.785
  127    HE3  LYS  19           HE1      LYS  19  20.649   2.712  -3.319
  128    HZ1  LYS  19           HZ1      LYS  19  19.209   3.147  -5.843
  129    HZ2  LYS  19           HZ2      LYS  19  20.906   3.092  -5.858
  130    HZ3  LYS  19           HZ3      LYS  19  20.099   4.248  -4.909
  131    H    PHE  20           HN       PHE  20  23.088   0.022  -2.134
  132    HA   PHE  20           HA       PHE  20  25.965   0.620  -1.988
  133    HB2  PHE  20           HB2      PHE  20  23.609   1.912  -0.603
  134    HB3  PHE  20           HB1      PHE  20  25.296   2.316  -0.289
  135    HD1  PHE  20           HD1      PHE  20  22.529   2.552  -2.676
  136    HD2  PHE  20           HD2      PHE  20  26.690   3.384  -2.019
  137    HE1  PHE  20           HE1      PHE  20  22.534   4.068  -4.637
  138    HE2  PHE  20           HE2      PHE  20  26.696   4.902  -3.979
  139    HZ   PHE  20           HZ       PHE  20  24.618   5.245  -5.288
  140    H    CYS  21           HN       CYS  21  26.488   0.954   0.525
  141    HA   CYS  21           HA       CYS  21  27.110  -0.183   2.441
  142    HB2  CYS  21           HB2      CYS  21  25.310  -0.940   3.790
  143    HB3  CYS  21           HB1      CYS  21  24.619   0.343   2.799
  Start of MODEL   20
    1    H1   ABA   1           HT1      ABU   1   5.929  -5.662  -4.057
    2    H2   ABA   1           HT2      ABU   1   7.263  -4.658  -3.744
    3    H3   ABA   1           HT3      ABU   1   6.592  -4.724  -5.304
    4    HA   ABA   1           HA       ABU   1   4.543  -3.736  -4.500
    5    HB2  ABA   1           HB2      ABU   1   5.051  -2.687  -2.054
    6    HG1  ABA   1           HG1      ABU   1   4.007  -5.283  -1.557
    7    HG3  ABA   1           HG3      ABU   1   3.104  -3.784  -1.778
    8    HG2  ABA   1           HG2      ABU   1   3.463  -4.812  -3.167
    9    H    DBU   2           HN       DHB   2   4.611  -1.291  -3.432
   10    HB   DBU   2           HB       DHB   2   6.510   1.740  -5.391
   11    HG1  DBU   2           HG1      DHB   2   6.207   0.616  -7.496
   12    HG2  DBU   2           HG2      DHB   2   4.568   0.493  -6.858
   13    HG3  DBU   2           HG3      DHB   2   5.680  -0.867  -6.701
   14    HA   PRO   3           HA       PRO   3   7.398   2.912  -1.369
   15    HB2  PRO   3           HB2      PRO   3   4.603   3.459  -0.490
   16    HB3  PRO   3           HB1      PRO   3   5.930   4.594  -0.813
   17    HG2  PRO   3           HG2      PRO   3   3.895   4.311  -2.508
   18    HG3  PRO   3           HG1      PRO   3   5.548   4.606  -3.076
   19    HD2  PRO   3           HD2      PRO   3   3.968   2.066  -3.117
   20    HD3  PRO   3           HD1      PRO   3   5.190   2.656  -4.268
   21    H    ALA   4           HN       ALA   4   4.634   0.770  -0.724
   22    HA   ALA   4           HA       ALA   4   5.163   0.475   2.069
   23    HB1  ALA   4           HB1      ALA   4   2.975  -0.010   0.797
   24    HB2  ALA   4           HB2      ALA   4   3.446  -1.140   2.065
   25    HB3  ALA   4           HB3      ALA   4   3.718  -1.551   0.372
   26    H    CYS   5           HN       CYS   5   6.294  -1.104  -0.831
   27    HA   CYS   5           HA       CYS   5   7.477  -3.335   0.577
   28    HB2  CYS   5           HB2      CYS   5   7.356  -2.423  -2.264
   29    HB3  CYS   5           HB1      CYS   5   8.645  -3.534  -1.789
   30    H    PHE   6           HN       PHE   6   8.500  -0.200  -0.646
   31    HA   PHE   6           HA       PHE   6  11.278  -0.556  -0.543
   32    HB2  PHE   6           HB2      PHE   6  10.704   1.457  -1.524
   33    HB3  PHE   6           HB1      PHE   6   9.442   1.797  -0.342
   34    HD1  PHE   6           HD1      PHE   6  12.836   0.699   0.624
   35    HD2  PHE   6           HD2      PHE   6  10.198   4.054   0.176
   36    HE1  PHE   6           HE1      PHE   6  14.396   2.089   1.951
   37    HE2  PHE   6           HE2      PHE   6  11.764   5.456   1.495
   38    HZ   PHE   6           HZ       PHE   6  13.862   4.476   2.381
   39    H    DBU   7           HN       DHB   7   9.058   0.651   2.010
   40    HB   DBU   7           HB       DHB   7  10.160  -0.430   5.725
   41    HG1  DBU   7           HG1      DHB   7   9.482  -2.266   3.427
   42    HG2  DBU   7           HG2      DHB   7   8.113  -1.759   4.416
   43    HG3  DBU   7           HG3      DHB   7   9.450  -2.645   5.149
   44    H    ILE   8           HN       ILE   8   9.301   2.254   5.156
   45    HA   ILE   8           HA       ILE   8  11.113   4.303   4.418
   46    HB   ILE   8           HB       ILE   8   9.264   4.021   6.789
   47   HG12  ILE   8          HG12      ILE   8   8.220   4.164   4.534
   48   HG13  ILE   8          HG11      ILE   8   7.882   5.599   5.505
   49   HG21  ILE   8          HG21      ILE   8  10.220   5.849   7.684
   50   HG22  ILE   8          HG22      ILE   8   9.935   6.736   6.187
   51   HG23  ILE   8          HG23      ILE   8  11.435   5.836   6.407
   52   HD11  ILE   8          HD11      ILE   8   9.653   5.300   3.115
   53   HD12  ILE   8          HD12      ILE   8  10.124   6.465   4.353
   54   HD13  ILE   8          HD13      ILE   8   8.563   6.619   3.546
   55    H    GLY   9           HN       GLY   9  11.015   2.147   7.251
   56    HA2  GLY   9           HA2      GLY   9  13.380   3.331   8.418
   57    HA3  GLY   9           HA1      GLY   9  12.527   1.908   9.002
   58    H    LEU  10           HN       LEU  10  13.250  -0.096   8.463
   59    HA   LEU  10           HA       LEU  10  15.915  -0.414   7.629
   60    HB2  LEU  10           HB2      LEU  10  15.643  -2.630   8.110
   61    HB3  LEU  10           HB1      LEU  10  14.229  -2.005   8.949
   62    HG   LEU  10           HG       LEU  10  13.519  -3.907   7.672
   63   HD11  LEU  10          HD11      LEU  10  11.649  -2.816   7.112
   64   HD12  LEU  10          HD12      LEU  10  12.435  -2.174   5.669
   65   HD13  LEU  10          HD13      LEU  10  12.524  -1.288   7.192
   66   HD21  LEU  10          HD21      LEU  10  14.132  -2.884   4.994
   67   HD22  LEU  10          HD22      LEU  10  14.369  -4.498   5.663
   68   HD23  LEU  10          HD23      LEU  10  15.575  -3.242   5.942
   69    H    GLY  11           HN       GLY  11  12.958  -0.240   5.855
   70    HA2  GLY  11           HA2      GLY  11  13.423  -1.568   3.523
   71    HA3  GLY  11           HA1      GLY  11  12.605  -0.015   3.607
   72    H    VAL  12           HN       VAL  12  15.112   1.224   4.723
   73    HA   VAL  12           HA       VAL  12  16.169   2.205   2.300
   74    HB   VAL  12           HB       VAL  12  16.278   3.366   4.531
   75   HG11  VAL  12          HG11      VAL  12  17.818   2.691   6.182
   76   HG12  VAL  12          HG12      VAL  12  18.707   1.656   5.060
   77   HG13  VAL  12          HG13      VAL  12  17.112   1.168   5.640
   78   HG21  VAL  12          HG21      VAL  12  17.630   4.268   2.776
   79   HG22  VAL  12          HG22      VAL  12  18.785   2.939   2.889
   80   HG23  VAL  12          HG23      VAL  12  18.693   4.139   4.177
   81    H    GLY  13           HN       GLY  13  17.275  -0.293   4.548
   82    HA2  GLY  13           HA2      GLY  13  19.759  -0.819   3.313
   83    HA3  GLY  13           HA1      GLY  13  18.885  -1.924   4.364
   84    H    ALA  14           HN       ALA  14  16.594  -2.436   2.977
   85    HA   ALA  14           HA       ALA  14  17.507  -4.263   0.986
   86    HB1  ALA  14           HB1      ALA  14  14.631  -3.511   1.079
   87    HB2  ALA  14           HB2      ALA  14  15.320  -4.213   2.543
   88    HB3  ALA  14           HB3      ALA  14  15.378  -5.108   1.024
   89    H    LEU  15           HN       LEU  15  15.858  -1.158   0.921
   90    HA   LEU  15           HA       LEU  15  15.429  -1.066  -1.886
   91    HB2  LEU  15           HB2      LEU  15  14.349   0.285   0.055
   92    HB3  LEU  15           HB1      LEU  15  15.728   1.360  -0.144
   93    HG   LEU  15           HG       LEU  15  14.068   2.273  -1.545
   94   HD11  LEU  15          HD11      LEU  15  16.275   1.964  -2.650
   95   HD12  LEU  15          HD12      LEU  15  14.938   1.953  -3.802
   96   HD13  LEU  15          HD13      LEU  15  15.697   0.437  -3.316
   97   HD21  LEU  15          HD21      LEU  15  12.969  -0.258  -1.485
   98   HD22  LEU  15          HD22      LEU  15  13.484  -0.111  -3.166
   99   HD23  LEU  15          HD23      LEU  15  12.376   1.075  -2.476
  100    H    PHE  16           HN       PHE  16  17.591   1.000   0.051
  101    HA   PHE  16           HA       PHE  16  19.285   1.347  -2.319
  102    HB2  PHE  16           HB2      PHE  16  19.833   2.764   0.245
  103    HB3  PHE  16           HB1      PHE  16  19.981   3.344  -1.414
  104    HD1  PHE  16           HD1      PHE  16  17.657   2.677   1.365
  105    HD2  PHE  16           HD2      PHE  16  18.066   4.257  -2.606
  106    HE1  PHE  16           HE1      PHE  16  15.409   3.711   1.546
  107    HE2  PHE  16           HE2      PHE  16  15.817   5.290  -2.428
  108    HZ   PHE  16           HZ       PHE  16  14.488   5.017  -0.351
  109    H    DAL  17           HN       DAL  17  19.328  -0.058   0.888
  110    HA   DAL  17           HA       DAL  17  20.896  -1.320   1.990
  111    HB1  DAL  17           HB2      DAL  17  22.866   0.234   0.310
  112    HB2  DAL  17           HB3      DAL  17  22.224   0.759   1.858
  113    H    ALA  18           HN       ALA  18  19.663  -2.145  -0.537
  114    HA   ALA  18           HA       ALA  18  21.102  -4.567  -0.936
  115    HB1  ALA  18           HB1      ALA  18  18.650  -4.374  -1.150
  116    HB2  ALA  18           HB2      ALA  18  19.389  -5.067  -2.594
  117    HB3  ALA  18           HB3      ALA  18  18.868  -3.382  -2.592
  118    H    LYS  19           HN       LYS  19  20.850  -1.580  -2.835
  119    HA   LYS  19           HA       LYS  19  22.659  -2.726  -4.861
  120    HB2  LYS  19           HB2      LYS  19  21.943  -0.180  -5.714
  121    HB3  LYS  19           HB1      LYS  19  21.218  -1.694  -6.253
  122    HG2  LYS  19           HG2      LYS  19  19.640  -1.518  -4.267
  123    HG3  LYS  19           HG1      LYS  19  20.253   0.112  -4.018
  124    HD2  LYS  19           HD2      LYS  19  18.263   0.324  -5.338
  125    HD3  LYS  19           HD1      LYS  19  19.621   0.598  -6.432
  126    HE2  LYS  19           HE2      LYS  19  19.464  -1.628  -7.320
  127    HE3  LYS  19           HE1      LYS  19  18.310  -2.107  -6.074
  128    HZ1  LYS  19           HZ1      LYS  19  17.674   0.159  -7.835
  129    HZ2  LYS  19           HZ2      LYS  19  16.625  -0.917  -7.043
  130    HZ3  LYS  19           HZ3      LYS  19  17.480  -1.420  -8.421
  131    H    PHE  20           HN       PHE  20  22.508  -0.682  -2.206
  132    HA   PHE  20           HA       PHE  20  25.201   0.387  -2.763
  133    HB2  PHE  20           HB2      PHE  20  23.039   1.810  -1.192
  134    HB3  PHE  20           HB1      PHE  20  24.612   2.449  -1.674
  135    HD1  PHE  20           HD1      PHE  20  21.644   0.793  -3.232
  136    HD2  PHE  20           HD2      PHE  20  24.672   3.814  -3.566
  137    HE1  PHE  20           HE1      PHE  20  20.664   1.527  -5.383
  138    HE2  PHE  20           HE2      PHE  20  23.695   4.557  -5.724
  139    HZ   PHE  20           HZ       PHE  20  21.690   3.412  -6.634
  140    H    CYS  21           HN       CYS  21  26.078   1.218  -0.538
  141    HA   CYS  21           HA       CYS  21  26.996   0.546   1.466
  142    HB2  CYS  21           HB2      CYS  21  25.453   0.230   3.214
  143    HB3  CYS  21           HB1      CYS  21  24.555   1.192   2.042