*HEADER    UNKNOWN FUNCTION                        21-AUG-20   7JVF              
*TITLE     SOLUTION NMR STRUCTURE OF PROCHLOROSIN 2.10 PRODUCED BY               
*TITLE    2 PROCHLOROCOCCUS MIT 9313                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROCHLOROSIN 2.10;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PROCHLOROCOCCUS MARINUS STR. MIT 9313;          
*SOURCE   3 ORGANISM_TAXID: 74547;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LANTHIPEPTIDE, CYCLIC PEPTIDE, POSTTRANSLATIONAL MODIFICATION, RIPP,  
*KEYWDS   2 UNKNOWN FUNCTION                                                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.C.BOBEICA,W.A.VAN DER DONK,L.ZHU                                    
*REVDAT   1   09-SEP-20 7JVF    0                                                
# Restraints file 1: ProcA210_noe_20200821.tbl
assign (residue 6 and name HA) (residue 7 and name HN) 3.5 0.7 0.8 
assign (residue 7 and name HB3) (residue 13 and name HN) 4.5 2.7 1.0 
assign (residue 8 and name HB#) (residue 7 and name HN) 4.5 2.7 0.8  
assign (residue 15 and name HG) (residue 16 and name HN) 5.5 3.7 0.8 
assign (residue 3 and name HA#) (residue 4 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB) (residue 8 and name HN) 4.5 2.7 1.0 
assign (residue 5 and name HN) (residue 4 and name HN) 3.5 1.7 1.0 
assign (residue 7 and name HB3) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB2) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB2) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB3) (residue 11 and name HN) 5.0 3.2 1.0 
assign (residue 19 and name HB1) (residue 11 and name HN) 5.5 3.7 1.0 
assign (residue 7 and name HB3) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 15 and name HD1#) (residue 14 and name HD1) 4.5 2.7 1.0  
assign (residue 15 and name HD1#) (residue 14 and name HZ3) 6.0 4.2 1.0 
assign (residue 15 and name HD1#) (residue 14 and name HH2) 4.5 2.7 1.0 
assign (residue 8 and name HN) (residue 7 and name HN) 3.5 1.7 1.0
assign (residue 8 and name HN) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 9 and name HB1) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB2) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB2) (residue 8 and name HN) 4.5 2.7 1.0 
assign (residue 9 and name HB2) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HG#) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HB2) (residue 11 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HZ3) 4.5 2.7 1.0  
assign (residue 10 and name HG#) (residue 19 and name HN) 4.5 2.7 1.0 
assign (residue 10 and name HN) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 10 and name HN) (residue 11 and name HN) 3.5 1.7 1.0
assign (residue 11 and name HA2) (residue 12 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HB1) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HB1) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HB2) (residue 7 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HB2) (residue 12 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HB2) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HN) (residue 11 and name HN) 3.5 1.7 1.0
assign (residue 12 and name HN) (residue 13 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HA1) (residue 17 and name HN) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 14 and name HE3) 4.5 2.7 1.0
assign (residue 15 and name HD2#) (residue 14 and name HH2) 4.5 2.7 1.0
assign (residue 15 and name HD2#) (residue 14 and name HZ3) 4.5 2.7 1.0
assign (residue 17 and name HA1) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HA2) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 18 and name HN) (residue 17 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HB2) (residue 11 and name HN) 5.5 3.7 1.0
assign (residue 20 and name HA) (residue 21 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HB) (residue 20 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HB) (residue 21 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HG2#) (residue 17 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HN) (residue 21 and name HN) 3.5 1.7 1.0
assign (residue 21 and name HA) (residue 21 and name HE) 4.5 2.7 1.0
assign (residue 21 and name HB1) (residue 21 and name HN) 3.5 1.7 1.0
assign (residue 21 and name HG#) (residue 21 and name HE) 3.5 1.7 1.0
assign (residue 2 and name HN) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 3 and name HN) (residue 4 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HA) (residue 8 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB2) (residue 11 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB2) (residue 13 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB3) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 7 and name HB3) (residue 14 and name HD1) 5.0 3.2 1.0
assign (residue 7 and name HB3) (residue 14 and name HE3) 6.0 4.2 1.0
assign (residue 8 and name HB#) (residue 14 and name HE3) 4.5 2.7 1.0
assign (residue 8 and name HB#) (residue 14 and name HH2) 4.5 2.7 1.0
assign (residue 9 and name HB1) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HB2) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HG1) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HG1) (residue 10 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HG2) (residue 8 and name HN) 4.5 2.7 1.0
assign (residue 9 and name HN) (residue 7 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HB2) (residue 19 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HB2) (residue 12 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 9 and name HN) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HD1) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HE3) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HH2) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 16 and name HB) 5.5 3.7 1.0 
assign (residue 10 and name HG#) (residue 21 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HB1) (residue 7 and name HN) 5.5 3.7 1.0
assign (residue 12 and name HB1) (residue 14 and name HD1) 4.5 2.7 1.0
assign (residue 12 and name HB1) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HB2) (residue 14 and name HD1) 4.5 2.7 1.0
assign (residue 12 and name HB2) (residue 14 and name HN) 4.5 2.7 1.0
assign (residue 12 and name HN) (residue 7 and name HN) 5.5 3.7 1.0
assign (residue 13 and name HA2) (residue 16 and name HN) 4.5 2.7 1.0
assign (residue 14 and name HB2) (residue 17 and name HN) 5.5 3.7 1.0
assign (residue 15 and name HB2) (residue 16 and name HN) 5.5 3.7 1.0
assign (residue 15 and name HD2#) (residue 14 and name HD1) 4.5 2.7 1.0
assign (residue 15 and name HD2#) (residue 14 and name HZ2) 4.5 2.7 1.0
assign (residue 15 and name HG) (residue 14 and name HE3) 4.5 2.7 1.0
assign (residue 16 and name HB) (residue 17 and name HN) 4.5 2.7 1.0
assign (residue 16 and name HG#) (residue 14 and name HE3) 4.5 2.7 1.0
assign (residue 16 and name HG#) (residue 14 and name HH2) 4.5 2.7 1.0
assign (residue 16 and name HG#) (residue 14 and name HZ2) 4.5 2.7 1.0
assign (residue 16 and name HN) (residue 18 and name HN) 4.5 2.7 1.0
assign (residue 20 and name HG2#) (residue 21 and name HN) 4.5 2.7 1.0
assign (residue 6 and name HB1) (residue 8 and name HN) 5.5 3.7 1.0
assign (residue 6 and name HB2) (residue 14 and name HD1) 5.0 3.2 1.0
assign (residue 6 and name HB1) (residue 14 and name HD1) 6.0 4.2 1.0 
assign (residue 7 and name HB2) (residue 9 and name HN) 5.5 3.7 1.0
assign (residue 7 and name HB2) (residue 14 and name HD1) 5.5 3.7 1.0
assign (residue 8 and name HD2#) (residue 8 and name HN) 5.5 3.7 1.0
assign (residue 8 and name HN) (residue 4 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HB1) (residue 8 and name HN) 5.5 3.7 1.0
assign (residue 9 and name HG2) (residue 5 and name HN) 5.5 3.7 1.0
assign (residue 14 and name HB1) (residue 17 and name HN) 5.5 3.7 1.0
assign (residue 15 and name HD2#) (residue 17 and name HN) 5.5 3.7 1.0
assign (residue 16 and name HG#) (residue 14 and name HD1) 5.5 3.7 1.0
assign (residue 8 and name HD2#) (residue 4 and name HN) 5.5 3.7 1.0 
assign (residue 9 and name HG#) (residue 4 and name HB) 5.5 3.7 1.0 
assign (residue 9 and name HB2) (residue 4 and name HB) 5.5 3.7 1.0 
assign (residue 9 and name HB1) (residue 5 and name HN) 5.5 3.7 1.0 
assign (residue 11 and name HN) (residue 9 and name HB2) 5.5 3.7 1.0 
assign (residue 7 and name HN) (residue 6 and name HD2) 5.5 3.7 1.0 
assign (residue 11 and name HN) (residue 9 and name HG#) 4.5 2.7 1.0 
assign (residue 10 and name HG#) (residue 7 and name HN) 4.5 2.7 1.0 
assign (residue 13 and name HN) (residue 14 and name HD1) 4.5 2.7 1.0 
assign (residue 16 and name HN) (residue 18 and name HN) 5.5 3.7 1.0 
assign (residue 7 and name HN) (residue 15 and name HD2#) 5.5 2.7 1.0 
assign (residue 12 and name HB2) (residue 17 and name HN) 5.5 3.7 1.0 
assign (residue 12 and name HB1) (residue 17 and name HN) 5.5 3.7 1.0 
assign (residue 12 and name HB2) (residue 17 and name HA2) 5.5 3.7 1.0
assign (residue 10 and name HB2) (residue 19 and name HB1) 4.5 2.7 1.0 
assign (residue 5 and name HD1#) (residue 6 and name HD1) 3.5 1.7 1.0
assign (residue 5 and name HD1#) (residue 9 and name HG1) 3.5 1.7 1.0
assign (residue 5 and name HG2#) (residue 6 and name HD1) 3.5 1.7 1.0
assign (residue 5 and name HG2#) (residue 6 and name HD2) 3.5 1.7 1.0
assign (residue 5 and name HG2#) (residue 9 and name HG2) 4.5 2.7 1.0
assign (residue 6 and name HB1) (residue 12 and name HB1) 5.5 3.7 1.0 
assign (residue 6 and name HB1) (residue 12 and name HB2) 5.5 3.7 1.0
assign (residue 6 and name HB2) (residue 12 and name HB2) 5.5 3.7 1.0 
assign (residue 6 and name HD1) (residue 5 and name HB) 3.5 1.7 1.0
assign (residue 6 and name HD1) (residue 5 and name HG2#) 3.5 1.7 1.0
assign (residue 6 and name HD2) (residue 5 and name HB) 4.5 2.7 1.0
assign (residue 6 and name HD2) (residue 5 and name HG2#) 4.5 2.7 1.0
assign (residue 6 and name HG1) (residue 5 and name HA) 4.5 2.7 1.0 
assign (residue 7 and name HA) (residue 12 and name HB1) 4.5 2.7 1.0
assign (residue 7 and name HA) (residue 12 and name HB2) 4.5 2.7 1.0
assign (residue 7 and name HB2) (residue 11 and name HA1) 4.5 2.7 1.0
assign (residue 7 and name HB3) (residue 10 and name HG#) 4.5 2.7 1.0
assign (residue 8 and name HB#) (residue 4 and name HB) 4.5 2.7 1.0
assign (residue 8 and name HB#) (residue 9 and name HG1) 4.5 2.7 1.0
assign (residue 8 and name HB#) (residue 9 and name HG2) 4.5 2.7 1.0
assign (residue 9 and name HG2) (residue 8 and name HB#) 3.5 1.7 1.0
assign (residue 10 and name HA) (residue 19 and name HB1) 4.5 2.7 1.0 
assign (residue 10 and name HA) (residue 19 and name HB2) 4.5 2.7 1.0 
assign (residue 10 and name HB2) (residue 11 and name HA1) 4.5 2.7 1.0 
assign (residue 10 and name HB2) (residue 19 and name HB2) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 7 and name HB2) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 9 and name HG1) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HB1) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 14 and name HB2) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 19 and name HA) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 19 and name HB1) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 19 and name HB2) 4.5 2.7 1.0
assign (residue 10 and name HG#) (residue 11 and name HA1) 4.5 2.7 1.0 
assign (residue 10 and name HG#) (residue 11 and name HA2) 4.5 2.7 1.0 
assign (residue 10 and name HG#) (residue 21 and name HD#) 4.5 2.7 1.0 
assign (residue 11 and name HA1) (residue 19 and name HB1) 5.5 3.7 1.0
assign (residue 11 and name HA1) (residue 19 and name HB2) 5.5 3.7 1.0
assign (residue 11 and name HA2) (residue 19 and name HB1) 5.5 3.7 1.0
assign (residue 11 and name HA2) (residue 19 and name HB2) 5.5 3.7 1.0
assign (residue 12 and name HA) (residue 7 and name HB3) 4.5 2.7 1.0
assign (residue 18 and name HA) (residue 14 and name HD1) 5.5 3.7 1.0 
assign (residue 8 and name HD2#) (residue 6 and name HB1) 4.5 2.7 1.0 
assign (residue 8 and name HD2#) (residue 7 and name HB2) 4.5 2.7 1.0 
assign (residue 8 and name HD2#) (residue 7 and name HB3) 4.5 2.7 1.0 
assign (residue 5 and name HD1#) (residue 9 and name HB1) 4.5 2.7 1.0 
assign (residue 19 and name HA) (residue 10 and name HB2) 4.5 2.7 1.0
assign (residue 19 and name HB1) (residue 11 and name HA1) 4.7 2.7 1.0
assign (residue 19 and name HB2) (residue 10 and name HG#) 5.5 3.7 1.0
assign (residue 20 and name HA) (residue 20 and name HG1#) 3.5 1.7 1.0
assign (residue 20 and name HA) (residue 20 and name HG2#) 3.5 1.7 1.0
assign (residue 21 and name HB1) (residue 21 and name HD#) 3.5 1.7 1.0
assign (residue 21 and name HB2) (residue 21 and name HD#) 3.5 1.7 1.0
assign (residue 21 and name HD#) (residue 21 and name HB1) 3.5 1.7 1.0
assign (residue 21 and name HD#) (residue 21 and name HB2) 3.5 1.7 1.0
assign (residue 21 and name HD#) (residue 21 and name HG#) 3.5 1.7 1.0
assign (residue 21 and name HG#) (residue 21 and name HD#) 3.5 1.7 1.0
assign (residue 21 and name HB1) (residue 8 and name HA) 4.5 2.7 1.0 
assign (residue 5 and name HD1#) (residue 9 and name HG2) 4.5 2.7 1.0 
assign (residue 5 and name HG11) (residue 4 and name HB) 4.5 2.7 1.0 
assign (residue 5 and name HG11) (residue 6 and name HD1) 4.5 2.7 1.0 
assign (residue 5 and name HG11) (residue 6 and name HD2) 4.5 2.7 1.0 
assign (residue 5 and name HG12) (residue 6 and name HD1) 4.5 2.7 1.0 
assign (residue 5 and name HG12) (residue 6 and name HD2) 4.5 2.7 1.0 
assign (residue 5 and name HG2#) (residue 6 and name HB1) 4.5 2.7 1.0 
assign (residue 5 and name HG2#) (residue 9 and name HB1) 4.5 2.7 1.0 
assign (residue 5 and name HG2#) (residue 9 and name HG1) 4.5 2.7 1.0 
assign (residue 6 and name HB2) (residue 12 and name HB1) 5.5 3.7 1.0 
assign (residue 8 and name HA) (residue 14 and name HZ2) 4.5 2.7 1.0 
assign (residue 8 and name HA) (residue 14 and name HZ3) 4.5 2.7 1.0 
assign (residue 8 and name HB#) (residue 5 and name HA) 5.5 3.7 1.0 
assign (residue 8 and name HB#) (residue 9 and name HA) 4.5 2.7 1.0 
assign (residue 8 and name HB#) (residue 9 and name HB1) 4.5 2.7 1.0 
assign (residue 8 and name HG) (residue 4 and name HB) 4.5 2.7 1.0 
assign (residue 9 and name HB1) (residue 10 and name HA) 4.5 2.7 1.0 
assign (residue 9 and name HG#) (residue 8 and name HD#) 4.5 2.7 1.0 
assign (residue 10 and name HB2) (residue 14 and name HE3) 5.5 3.7 1.0 
assign (residue 10 and name HG#) (residue 9 and name HG#) 4.5 2.7 1.0 
assign (residue 10 and name HG#) (residue 12 and name HB2) 4.5 2.7 1.0 
assign (residue 12 and name HA) (residue 7 and name HB2) 5.0 3.2 1.0 
assign (residue 12 and name HB1) (residue 6 and name HB2) 5.5 3.7 1.0
assign (residue 14 and name HD1) (residue 12 and name HB1) 5.5 3.7 1.0 
assign (residue 15 and name HD1#) (residue 14 and name HB1) 5.5 3.7 1.0 
assign (residue 15 and name HD1#) (residue 14 and name HB2) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 6 and name HD1) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 6 and name HD2) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 7 and name HB2) 5.5 2.7 1.0 
assign (residue 15 and name HD2#) (residue 12 and name HB2) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 14 and name HB1) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 14 and name HB2) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 17 and name HA2) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 7 and name HB3) 5.5 3.7 1.0 
assign (residue 15 and name HD2#) (residue 12 and name HB1) 5.5 3.7 1.0 
assign (residue 8 and name HD2#) (residue 10 and name HB2) 5.5 3.7 1.0 
assign (residue 8 and name HG) (residue 9 and name HG2) 4.5 2.7 1.0 
assign (residue 8 and name HG) (residue 5 and name HA) 5.5 3.7 1.0 
assign (residue 9 and name HB2) (residue 10 and name HA) 4.5 2.7 1.0 
assign (residue 5 and name HA) (residue 10 and name HG#) 5.5 3.7 1.0 
assign (residue 12 and name HA) (residue 10 and name HG#) 5.5 3.7 1.0
assign (residue 6 and name HA) (residue 9 and name HG#) 4.5 2.7 1.0 
assign (residue 4 and name HG#) (residue 5 and name HA) 4.5 2.7 1.0 
assign (residue 4 and name HG#) (residue 6 and name HD1) 4.5 2.7 1.0 
assign (residue 6 and name HA) (residue 9 and name HG#) 4.5 2.7 1.0 
assign (residue 15 and name HD2#) (residue 13 and name HA1) 5.5 3.7 1.0 
assign (residue 8 and name HB#) (residue 5 and name HG2#) 5.5 3.7 1.0 
assign (residue 8 and name HG) (residue 5 and name HG2#) 5.5 3.7 1.0 
assign (residue 8 and name HD1#) (residue 5 and name HB) 5.5 3.7 1.0 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1   9.615   9.936  -8.256
    2    H2   ALA   1           HT2      ALA   1  10.209   8.625  -7.350
    3    H3   ALA   1           HT3      ALA   1   8.535   8.884  -7.479
    4    HA   ALA   1           HA       ALA   1   8.611   7.365  -9.097
    5    HB1  ALA   1           HB1      ALA   1   8.228   8.656 -10.898
    6    HB2  ALA   1           HB2      ALA   1   9.968   8.849 -11.123
    7    HB3  ALA   1           HB3      ALA   1   9.075   9.995 -10.123
    8    H    GLY   2           HN       GLY   2  11.674   8.793  -8.300
    9    HA2  GLY   2           HA2      GLY   2  13.382   7.189  -9.882
   10    HA3  GLY   2           HA1      GLY   2  13.835   8.003  -8.388
   11    H    GLY   3           HN       GLY   3  11.905   6.706  -6.713
   12    HA2  GLY   3           HA2      GLY   3  11.403   4.636  -5.722
   13    HA3  GLY   3           HA1      GLY   3  12.463   3.846  -6.885
   14    H    DBU   4           HN       DHB   4  14.109   6.477  -5.739
   15    HB   DBU   4           HB       DHB   4  17.316   5.509  -3.472
   16    HG1  DBU   4           HG1      DHB   4  17.977   3.892  -5.144
   17    HG2  DBU   4           HG2      DHB   4  17.492   5.187  -6.240
   18    HG3  DBU   4           HG3      DHB   4  16.357   3.899  -5.840
   19    H    ILE   5           HN       ILE   5  14.541   4.913  -1.999
   20    HA   ILE   5           HA       ILE   5  14.999   6.610  -0.048
   21    HB   ILE   5           HB       ILE   5  13.206   7.960  -1.971
   22   HG12  ILE   5          HG12      ILE   5  15.666   8.508  -1.197
   23   HG13  ILE   5          HG11      ILE   5  14.516   9.814  -1.454
   24   HG21  ILE   5          HG21      ILE   5  12.251   9.326  -0.039
   25   HG22  ILE   5          HG22      ILE   5  12.841   8.057   1.037
   26   HG23  ILE   5          HG23      ILE   5  11.621   7.686  -0.182
   27   HD11  ILE   5          HD11      ILE   5  14.736   8.564   1.271
   28   HD12  ILE   5          HD12      ILE   5  14.232  10.195   0.834
   29   HD13  ILE   5          HD13      ILE   5  15.937   9.751   0.763
   30    HA   PRO   6           HA       PRO   6  10.429   4.997   0.545
   31    HB2  PRO   6           HB2      PRO   6  10.290   3.073  -1.705
   32    HB3  PRO   6           HB1      PRO   6   9.073   4.230  -1.133
   33    HG2  PRO   6           HG2      PRO   6  10.397   4.614  -3.411
   34    HG3  PRO   6           HG1      PRO   6   9.956   5.965  -2.350
   35    HD2  PRO   6           HD2      PRO   6  12.629   4.638  -2.685
   36    HD3  PRO   6           HD1      PRO   6  12.244   6.351  -2.478
   37    H    DAL   7           HN       DAL   7  13.375   3.657   0.084
   38    HA   DAL   7           HA       DAL   7  12.825   0.935   0.887
   39    HB1  DAL   7           HB2      DAL   7  14.603   2.066   2.854
   40    HB2  DAL   7           HB3      DAL   7  13.136   1.124   3.095
   41    H    LEU   8           HN       LEU   8  14.553   3.044  -0.826
   42    HA   LEU   8           HA       LEU   8  16.655   1.236  -1.412
   43    HB2  LEU   8           HB2      LEU   8  16.067   4.112  -2.099
   44    HB3  LEU   8           HB1      LEU   8  17.594   3.364  -2.568
   45    HG   LEU   8           HG       LEU   8  15.615   3.245  -4.247
   46   HD11  LEU   8          HD11      LEU   8  16.825   1.603  -5.200
   47   HD12  LEU   8          HD12      LEU   8  16.485   0.486  -3.877
   48   HD13  LEU   8          HD13      LEU   8  17.812   1.640  -3.740
   49   HD21  LEU   8          HD21      LEU   8  14.128   1.299  -3.887
   50   HD22  LEU   8          HD22      LEU   8  13.912   2.511  -2.623
   51   HD23  LEU   8          HD23      LEU   8  14.847   1.053  -2.296
   52    H    MET   9           HN       MET   9  16.346   4.094   0.610
   53    HA   MET   9           HA       MET   9  19.055   4.443   1.324
   54    HB2  MET   9           HB2      MET   9  16.638   5.049   3.034
   55    HB3  MET   9           HB1      MET   9  18.199   5.863   3.065
   56    HG2  MET   9           HG2      MET   9  17.213   5.943   0.386
   57    HG3  MET   9           HG1      MET   9  15.927   6.469   1.473
   58    HE1  MET   9           HE1      MET   9  16.566   7.500   3.569
   59    HE2  MET   9           HE2      MET   9  16.663   9.226   3.236
   60    HE3  MET   9           HE3      MET   9  18.057   8.388   3.914
   61    H    DBB  10           HN       DBB  10  16.424   2.566   2.828
   62    HA   DBB  10           HA       DBB  10  18.454   1.245   4.533
   63    HB2  DBB  10           HB2      DBB  10  17.339  -0.062   2.612
   64    HG1  DBB  10           HG1      DBB  10  15.171  -1.151   3.665
   65    HG2  DBB  10           HG2      DBB  10  15.088   0.297   2.692
   66    HG3  DBB  10           HG3      DBB  10  15.047   0.415   4.439
   67    H    GLY  11           HN       GLY  11  15.251   2.600   4.320
   68    HA2  GLY  11           HA2      GLY  11  14.493   1.789   6.980
   69    HA3  GLY  11           HA1      GLY  11  14.970   3.472   6.838
   70    H    CYS  12           HN       CYS  12  12.759   1.048   5.466
   71    HA   CYS  12           HA       CYS  12  10.560   2.925   5.481
   72    HB2  CYS  12           HB2      CYS  12  11.023   1.796   2.797
   73    HB3  CYS  12           HB1      CYS  12  10.300   3.334   3.246
   74    H    GLY  13           HN       GLY  13   9.105   1.629   3.438
   75    HA2  GLY  13           HA2      GLY  13   8.796  -1.133   4.426
   76    HA3  GLY  13           HA1      GLY  13   7.405  -0.067   4.292
   77    H    TRP  14           HN       TRP  14   9.833   0.392   1.958
   78    HA   TRP  14           HA       TRP  14   8.360   0.211  -0.289
   79    HB2  TRP  14           HB2      TRP  14  10.459  -0.396  -1.482
   80    HB3  TRP  14           HB1      TRP  14  10.665   0.924  -0.359
   81    HD1  TRP  14           HD1      TRP  14  10.465  -1.607   2.011
   82    HE1  TRP  14           HE1      TRP  14  12.728  -2.693   2.587
   83    HE3  TRP  14           HE3      TRP  14  13.220  -0.099  -2.016
   84    HZ2  TRP  14           HZ2      TRP  14  15.357  -2.903   1.486
   85    HZ3  TRP  14           HZ3      TRP  14  15.599  -0.764  -2.229
   86    HH2  TRP  14           HH2      TRP  14  16.670  -2.161  -0.485
   87    H    LEU  15           HN       LEU  15  10.541  -2.338  -0.727
   88    HA   LEU  15           HA       LEU  15   8.321  -4.230  -0.991
   89    HB2  LEU  15           HB2      LEU  15  10.311  -5.476  -2.246
   90    HB3  LEU  15           HB1      LEU  15   9.365  -4.218  -3.043
   91    HG   LEU  15           HG       LEU  15  11.851  -3.537  -1.472
   92   HD11  LEU  15          HD11      LEU  15  13.096  -4.625  -2.995
   93   HD12  LEU  15          HD12      LEU  15  12.493  -3.490  -4.203
   94   HD13  LEU  15          HD13      LEU  15  11.669  -5.030  -3.951
   95   HD21  LEU  15          HD21      LEU  15   9.942  -1.921  -2.543
   96   HD22  LEU  15          HD22      LEU  15  11.010  -2.088  -3.935
   97   HD23  LEU  15          HD23      LEU  15  11.639  -1.447  -2.417
   98    H    DBU  16           HN       DHB  16  11.351  -3.643   0.661
   99    HB   DBU  16           HB       DHB  16  13.062  -6.526   2.799
  100    HG1  DBU  16           HG1      DHB  16  13.652  -5.335   0.102
  101    HG2  DBU  16           HG2      DHB  16  13.166  -7.030   0.062
  102    HG3  DBU  16           HG3      DHB  16  14.593  -6.545   0.976
  103    H    GLY  17           HN       GLY  17  11.306  -3.162   3.308
  104    HA2  GLY  17           HA2      GLY  17   9.362  -2.820   4.794
  105    HA3  GLY  17           HA1      GLY  17   9.544  -4.500   5.277
  106    H    LEU  18           HN       LEU  18  11.946  -4.961   6.011
  107    HA   LEU  18           HA       LEU  18  12.622  -2.875   7.996
  108    HB2  LEU  18           HB2      LEU  18  12.962  -5.878   8.080
  109    HB3  LEU  18           HB1      LEU  18  13.657  -4.779   9.272
  110    HG   LEU  18           HG       LEU  18  10.706  -4.854   8.600
  111   HD11  LEU  18          HD11      LEU  18  11.978  -6.928   9.766
  112   HD12  LEU  18          HD12      LEU  18  10.349  -6.434  10.227
  113   HD13  LEU  18          HD13      LEU  18  11.732  -5.909  11.186
  114   HD21  LEU  18          HD21      LEU  18  10.616  -3.701  10.866
  115   HD22  LEU  18          HD22      LEU  18  11.361  -2.755   9.578
  116   HD23  LEU  18          HD23      LEU  18  12.373  -3.563  10.776
  117    H    CYS  19           HN       CYS  19  13.588  -2.866   5.275
  118    HA   CYS  19           HA       CYS  19  15.542  -2.864   4.036
  119    HB2  CYS  19           HB2      CYS  19  15.730  -0.934   5.704
  120    HB3  CYS  19           HB1      CYS  19  16.789  -1.980   6.641
  121    H    VAL  20           HN       VAL  20  15.729  -5.102   3.709
  122    HA   VAL  20           HA       VAL  20  17.681  -6.472   5.452
  123    HB   VAL  20           HB       VAL  20  16.772  -8.563   4.371
  124   HG11  VAL  20          HG11      VAL  20  14.631  -6.920   5.740
  125   HG12  VAL  20          HG12      VAL  20  16.025  -7.567   6.605
  126   HG13  VAL  20          HG13      VAL  20  14.881  -8.664   5.831
  127   HG21  VAL  20          HG21      VAL  20  15.818  -7.587   2.354
  128   HG22  VAL  20          HG22      VAL  20  14.757  -6.553   3.311
  129   HG23  VAL  20          HG23      VAL  20  14.513  -8.301   3.300
  130    H    ARG  21           HN       ARG  21  17.475  -4.808   2.613
  131    HA   ARG  21           HA       ARG  21  18.982  -6.453   0.839
  132    HB2  ARG  21           HB2      ARG  21  17.597  -4.534   0.080
  133    HB3  ARG  21           HB1      ARG  21  18.734  -3.430   0.858
  134    HG2  ARG  21           HG2      ARG  21  20.560  -4.342  -0.549
  135    HG3  ARG  21           HG1      ARG  21  19.399  -5.400  -1.351
  136    HD2  ARG  21           HD2      ARG  21  19.709  -3.436  -2.734
  137    HD3  ARG  21           HD1      ARG  21  18.099  -3.362  -2.021
  138    HE   ARG  21           HE       ARG  21  19.944  -2.001  -0.351
  139   HH11  ARG  21          HH11      ARG  21  18.331  -1.793  -3.405
  140   HH12  ARG  21          HH12      ARG  21  18.326  -0.062  -3.441
  141   HH21  ARG  21          HH21      ARG  21  19.942   0.267  -0.390
  142   HH22  ARG  21          HH22      ARG  21  19.237   1.106  -1.731
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1   7.137   9.587  -8.391
    2    H2   ALA   1           HT2      ALA   1   8.176   9.836  -7.070
    3    H3   ALA   1           HT3      ALA   1   6.602   9.249  -6.817
    4    HA   ALA   1           HA       ALA   1   7.857   7.340  -6.629
    5    HB1  ALA   1           HB1      ALA   1   7.320   6.032  -8.585
    6    HB2  ALA   1           HB2      ALA   1   7.255   7.477  -9.595
    7    HB3  ALA   1           HB3      ALA   1   6.023   7.207  -8.363
    8    H    GLY   2           HN       GLY   2   9.947   8.668  -6.305
    9    HA2  GLY   2           HA2      GLY   2  11.802   9.003  -8.411
   10    HA3  GLY   2           HA1      GLY   2  12.202   8.915  -6.699
   11    H    GLY   3           HN       GLY   3  11.142   6.304  -6.223
   12    HA2  GLY   3           HA2      GLY   3  11.502   4.029  -6.746
   13    HA3  GLY   3           HA1      GLY   3  12.621   4.520  -8.015
   14    H    DBU   4           HN       DHB   4  13.411   6.390  -5.444
   15    HB   DBU   4           HB       DHB   4  16.840   4.814  -3.683
   16    HG1  DBU   4           HG1      DHB   4  15.940   4.042  -6.502
   17    HG2  DBU   4           HG2      DHB   4  16.345   2.780  -5.340
   18    HG3  DBU   4           HG3      DHB   4  17.575   3.933  -5.853
   19    H    ILE   5           HN       ILE   5  14.310   4.761  -2.082
   20    HA   ILE   5           HA       ILE   5  14.980   6.536  -0.287
   21    HB   ILE   5           HB       ILE   5  13.115   7.911  -2.144
   22   HG12  ILE   5          HG12      ILE   5  15.722   8.252  -1.540
   23   HG13  ILE   5          HG11      ILE   5  14.685   9.588  -2.025
   24   HG21  ILE   5          HG21      ILE   5  11.748   7.841  -0.143
   25   HG22  ILE   5          HG22      ILE   5  12.452   9.454  -0.256
   26   HG23  ILE   5          HG23      ILE   5  13.130   8.272   0.867
   27   HD11  ILE   5          HD11      ILE   5  14.463  10.382   0.174
   28   HD12  ILE   5          HD12      ILE   5  16.143   9.845   0.127
   29   HD13  ILE   5          HD13      ILE   5  14.913   8.830   0.880
   30    HA   PRO   6           HA       PRO   6  10.354   5.237   0.684
   31    HB2  PRO   6           HB2      PRO   6  10.029   3.139  -1.382
   32    HB3  PRO   6           HB1      PRO   6   8.882   4.380  -0.844
   33    HG2  PRO   6           HG2      PRO   6  10.094   4.533  -3.217
   34    HG3  PRO   6           HG1      PRO   6   9.741   5.977  -2.254
   35    HD2  PRO   6           HD2      PRO   6  12.361   4.573  -2.635
   36    HD3  PRO   6           HD1      PRO   6  12.020   6.311  -2.511
   37    H    DAL   7           HN       DAL   7  13.229   3.896   0.500
   38    HA   DAL   7           HA       DAL   7  12.539   1.289   1.665
   39    HB1  DAL   7           HB2      DAL   7  14.693   2.929   2.903
   40    HB2  DAL   7           HB3      DAL   7  13.656   1.708   3.633
   41    H    LEU   8           HN       LEU   8  14.317   3.098  -0.491
   42    HA   LEU   8           HA       LEU   8  16.009   0.903  -1.220
   43    HB2  LEU   8           HB2      LEU   8  15.863   3.775  -2.161
   44    HB3  LEU   8           HB1      LEU   8  16.963   2.576  -2.841
   45    HG   LEU   8           HG       LEU   8  14.813   2.826  -4.127
   46   HD11  LEU   8          HD11      LEU   8  14.439   0.108  -3.325
   47   HD12  LEU   8          HD12      LEU   8  16.162   0.475  -3.265
   48   HD13  LEU   8          HD13      LEU   8  15.259   0.722  -4.760
   49   HD21  LEU   8          HD21      LEU   8  13.426   3.176  -2.028
   50   HD22  LEU   8          HD22      LEU   8  13.573   1.445  -1.736
   51   HD23  LEU   8          HD23      LEU   8  12.752   2.029  -3.183
   52    H    MET   9           HN       MET   9  16.322   3.969   0.433
   53    HA   MET   9           HA       MET   9  19.133   4.034   0.709
   54    HB2  MET   9           HB2      MET   9  17.392   5.190   2.836
   55    HB3  MET   9           HB1      MET   9  18.771   5.905   2.009
   56    HG2  MET   9           HG2      MET   9  17.215   5.810  -0.100
   57    HG3  MET   9           HG1      MET   9  15.923   5.709   1.098
   58    HE1  MET   9           HE1      MET   9  15.567   7.157   2.964
   59    HE2  MET   9           HE2      MET   9  16.098   8.826   3.157
   60    HE3  MET   9           HE3      MET   9  17.190   7.508   3.576
   61    H    DBB  10           HN       DBB  10  16.556   2.735   2.782
   62    HA   DBB  10           HA       DBB  10  18.645   1.367   4.369
   63    HB2  DBB  10           HB2      DBB  10  17.514  -0.651   4.239
   64    HG1  DBB  10           HG1      DBB  10  18.262  -0.314   2.050
   65    HG2  DBB  10           HG2      DBB  10  17.018   0.890   1.718
   66    HG3  DBB  10           HG3      DBB  10  16.581  -0.811   1.864
   67    H    GLY  11           HN       GLY  11  15.215   2.350   4.442
   68    HA2  GLY  11           HA2      GLY  11  14.981   2.147   7.270
   69    HA3  GLY  11           HA1      GLY  11  15.291   3.807   6.780
   70    H    CYS  12           HN       CYS  12  13.301   1.165   5.414
   71    HA   CYS  12           HA       CYS  12  10.845   2.598   5.953
   72    HB2  CYS  12           HB2      CYS  12  11.159   1.983   3.075
   73    HB3  CYS  12           HB1      CYS  12  10.273   3.288   3.844
   74    H    GLY  13           HN       GLY  13   9.390   1.393   3.881
   75    HA2  GLY  13           HA2      GLY  13   9.579  -1.480   4.536
   76    HA3  GLY  13           HA1      GLY  13   8.035  -0.633   4.462
   77    H    TRP  14           HN       TRP  14  10.249   0.596   2.288
   78    HA   TRP  14           HA       TRP  14   9.155   0.605  -0.029
   79    HB2  TRP  14           HB2      TRP  14  11.271  -0.126  -1.151
   80    HB3  TRP  14           HB1      TRP  14  11.509   1.053   0.127
   81    HD1  TRP  14           HD1      TRP  14  10.910  -1.631   2.227
   82    HE1  TRP  14           HE1      TRP  14  12.999  -3.006   2.834
   83    HE3  TRP  14           HE3      TRP  14  14.071  -0.117  -1.475
   84    HZ2  TRP  14           HZ2      TRP  14  15.664  -3.414   1.866
   85    HZ3  TRP  14           HZ3      TRP  14  16.369  -1.013  -1.618
   86    HH2  TRP  14           HH2      TRP  14  17.172  -2.651   0.046
   87    H    LEU  15           HN       LEU  15  11.060  -2.211  -0.492
   88    HA   LEU  15           HA       LEU  15   8.634  -3.723  -1.174
   89    HB2  LEU  15           HB2      LEU  15  10.493  -5.122  -2.420
   90    HB3  LEU  15           HB1      LEU  15   9.880  -3.626  -3.128
   91    HG   LEU  15           HG       LEU  15  12.266  -3.627  -1.281
   92   HD11  LEU  15          HD11      LEU  15  13.310  -4.875  -2.867
   93   HD12  LEU  15          HD12      LEU  15  13.333  -3.368  -3.781
   94   HD13  LEU  15          HD13      LEU  15  12.064  -4.557  -4.074
   95   HD21  LEU  15          HD21      LEU  15  10.744  -1.596  -2.396
   96   HD22  LEU  15          HD22      LEU  15  12.097  -1.729  -3.519
   97   HD23  LEU  15          HD23      LEU  15  12.399  -1.423  -1.808
   98    H    DBU  16           HN       DHB  16  11.528  -3.677   0.763
   99    HB   DBU  16           HB       DHB  16  12.834  -6.803   2.759
  100    HG1  DBU  16           HG1      DHB  16  13.027  -6.281  -0.209
  101    HG2  DBU  16           HG2      DHB  16  13.995  -7.389   0.763
  102    HG3  DBU  16           HG3      DHB  16  14.349  -5.662   0.782
  103    H    GLY  17           HN       GLY  17  10.690  -3.261   3.030
  104    HA2  GLY  17           HA2      GLY  17   8.702  -3.099   4.434
  105    HA3  GLY  17           HA1      GLY  17   9.040  -4.734   4.999
  106    H    LEU  18           HN       LEU  18  11.551  -4.800   5.749
  107    HA   LEU  18           HA       LEU  18  11.750  -2.713   7.826
  108    HB2  LEU  18           HB2      LEU  18  12.842  -5.535   7.728
  109    HB3  LEU  18           HB1      LEU  18  13.191  -4.376   9.014
  110    HG   LEU  18           HG       LEU  18  10.385  -5.182   8.208
  111   HD11  LEU  18          HD11      LEU  18  10.767  -6.256  10.680
  112   HD12  LEU  18          HD12      LEU  18  12.375  -6.469   9.986
  113   HD13  LEU  18          HD13      LEU  18  10.967  -7.163   9.181
  114   HD21  LEU  18          HD21      LEU  18  11.387  -3.050   9.737
  115   HD22  LEU  18          HD22      LEU  18  10.828  -4.232  10.921
  116   HD23  LEU  18          HD23      LEU  18   9.718  -3.618   9.695
  117    H    CYS  19           HN       CYS  19  12.879  -3.289   4.866
  118    HA   CYS  19           HA       CYS  19  14.635  -2.378   3.692
  119    HB2  CYS  19           HB2      CYS  19  14.764  -1.012   6.220
  120    HB3  CYS  19           HB1      CYS  19  16.396  -1.383   5.662
  121    H    VAL  20           HN       VAL  20  14.746  -4.908   3.846
  122    HA   VAL  20           HA       VAL  20  16.797  -6.158   5.316
  123    HB   VAL  20           HB       VAL  20  15.628  -6.911   2.628
  124   HG11  VAL  20          HG11      VAL  20  16.530  -9.020   4.460
  125   HG12  VAL  20          HG12      VAL  20  17.838  -7.982   3.891
  126   HG13  VAL  20          HG13      VAL  20  16.819  -8.832   2.730
  127   HG21  VAL  20          HG21      VAL  20  14.814  -7.509   5.484
  128   HG22  VAL  20          HG22      VAL  20  14.232  -8.444   4.106
  129   HG23  VAL  20          HG23      VAL  20  13.849  -6.726   4.230
  130    H    ARG  21           HN       ARG  21  16.757  -4.805   2.027
  131    HA   ARG  21           HA       ARG  21  19.660  -5.213   1.822
  132    HB2  ARG  21           HB2      ARG  21  18.233  -5.925  -0.073
  133    HB3  ARG  21           HB1      ARG  21  17.687  -4.259  -0.266
  134    HG2  ARG  21           HG2      ARG  21  20.006  -3.534  -0.673
  135    HG3  ARG  21           HG1      ARG  21  20.565  -5.195  -0.466
  136    HD2  ARG  21           HD2      ARG  21  20.337  -4.718  -2.846
  137    HD3  ARG  21           HD1      ARG  21  19.112  -5.887  -2.364
  138    HE   ARG  21           HE       ARG  21  18.345  -3.054  -2.396
  139   HH11  ARG  21          HH11      ARG  21  18.279  -6.208  -3.828
  140   HH12  ARG  21          HH12      ARG  21  16.908  -5.872  -4.830
  141   HH21  ARG  21          HH21      ARG  21  16.550  -2.612  -3.709
  142   HH22  ARG  21          HH22      ARG  21  15.930  -3.838  -4.764
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1   9.862   2.586  -7.160
    2    H2   ALA   1           HT2      ALA   1   9.650   1.065  -6.435
    3    H3   ALA   1           HT3      ALA   1   8.937   1.399  -7.940
    4    HA   ALA   1           HA       ALA   1  11.618   0.553  -7.315
    5    HB1  ALA   1           HB1      ALA   1   9.640   0.411  -9.564
    6    HB2  ALA   1           HB2      ALA   1  10.485  -0.896  -8.734
    7    HB3  ALA   1           HB3      ALA   1  11.341   0.099  -9.911
    8    H    GLY   2           HN       GLY   2  13.363   1.800  -7.508
    9    HA2  GLY   2           HA2      GLY   2  14.869   3.277  -8.487
   10    HA3  GLY   2           HA1      GLY   2  13.671   3.629  -9.729
   11    H    GLY   3           HN       GLY   3  12.490   3.826  -6.538
   12    HA2  GLY   3           HA2      GLY   3  12.140   6.697  -6.786
   13    HA3  GLY   3           HA1      GLY   3  11.485   5.666  -5.517
   14    H    DBU   4           HN       DHB   4  14.549   4.685  -5.564
   15    HB   DBU   4           HB       DHB   4  17.642   5.842  -3.543
   16    HG1  DBU   4           HG1      DHB   4  16.892   4.604  -6.242
   17    HG2  DBU   4           HG2      DHB   4  17.821   3.695  -5.049
   18    HG3  DBU   4           HG3      DHB   4  18.494   5.162  -5.757
   19    H    ILE   5           HN       ILE   5  14.668   5.008  -2.011
   20    HA   ILE   5           HA       ILE   5  15.008   6.764  -0.088
   21    HB   ILE   5           HB       ILE   5  13.310   8.078  -2.145
   22   HG12  ILE   5          HG12      ILE   5  15.755   8.612  -1.258
   23   HG13  ILE   5          HG11      ILE   5  14.644   9.915  -1.664
   24   HG21  ILE   5          HG21      ILE   5  12.816   8.199   0.835
   25   HG22  ILE   5          HG22      ILE   5  11.643   7.911  -0.451
   26   HG23  ILE   5          HG23      ILE   5  12.348   9.514  -0.245
   27   HD11  ILE   5          HD11      ILE   5  15.869  10.091   0.595
   28   HD12  ILE   5          HD12      ILE   5  14.810   8.786   1.133
   29   HD13  ILE   5          HD13      ILE   5  14.121  10.325   0.618
   30    HA   PRO   6           HA       PRO   6  10.375   5.129   0.179
   31    HB2  PRO   6           HB2      PRO   6  10.640   2.975  -1.852
   32    HB3  PRO   6           HB1      PRO   6   9.274   4.060  -1.530
   33    HG2  PRO   6           HG2      PRO   6  10.814   4.371  -3.682
   34    HG3  PRO   6           HG1      PRO   6  10.142   5.756  -2.806
   35    HD2  PRO   6           HD2      PRO   6  12.941   4.703  -2.778
   36    HD3  PRO   6           HD1      PRO   6  12.363   6.375  -2.694
   37    H    DAL   7           HN       DAL   7  13.409   3.732  -0.031
   38    HA   DAL   7           HA       DAL   7  12.721   1.243   1.338
   39    HB1  DAL   7           HB2      DAL   7  14.823   2.852   2.674
   40    HB2  DAL   7           HB3      DAL   7  13.668   1.715   3.357
   41    H    LEU   8           HN       LEU   8  14.660   3.030  -0.753
   42    HA   LEU   8           HA       LEU   8  16.405   0.764  -1.215
   43    HB2  LEU   8           HB2      LEU   8  16.520   3.484  -2.536
   44    HB3  LEU   8           HB1      LEU   8  17.119   1.950  -3.167
   45    HG   LEU   8           HG       LEU   8  14.207   2.624  -2.648
   46   HD11  LEU   8          HD11      LEU   8  13.990   3.129  -4.866
   47   HD12  LEU   8          HD12      LEU   8  15.209   1.952  -5.359
   48   HD13  LEU   8          HD13      LEU   8  15.703   3.520  -4.722
   49   HD21  LEU   8          HD21      LEU   8  13.680   0.453  -3.134
   50   HD22  LEU   8          HD22      LEU   8  15.311   0.150  -2.542
   51   HD23  LEU   8          HD23      LEU   8  15.012   0.275  -4.273
   52    H    MET   9           HN       MET   9  16.336   3.345   0.843
   53    HA   MET   9           HA       MET   9  19.238   3.771   0.896
   54    HB2  MET   9           HB2      MET   9  18.085   5.271   2.948
   55    HB3  MET   9           HB1      MET   9  18.576   5.868   1.368
   56    HG2  MET   9           HG2      MET   9  16.362   5.474   0.462
   57    HG3  MET   9           HG1      MET   9  15.848   4.698   1.962
   58    HE1  MET   9           HE1      MET   9  17.124   9.095   1.538
   59    HE2  MET   9           HE2      MET   9  16.813   8.036   0.165
   60    HE3  MET   9           HE3      MET   9  18.145   7.676   1.261
   61    H    DBB  10           HN       DBB  10  16.574   2.638   2.955
   62    HA   DBB  10           HA       DBB  10  18.592   1.537   4.818
   63    HB2  DBB  10           HB2      DBB  10  17.556  -0.236   3.527
   64    HG1  DBB  10           HG1      DBB  10  15.188  -0.606   3.476
   65    HG2  DBB  10           HG2      DBB  10  15.537   1.041   2.963
   66    HG3  DBB  10           HG3      DBB  10  14.917   0.738   4.581
   67    H    GLY  11           HN       GLY  11  15.156   2.406   4.526
   68    HA2  GLY  11           HA2      GLY  11  14.650   2.595   7.286
   69    HA3  GLY  11           HA1      GLY  11  15.148   4.167   6.680
   70    H    CYS  12           HN       CYS  12  13.026   1.515   5.580
   71    HA   CYS  12           HA       CYS  12  10.709   3.259   5.545
   72    HB2  CYS  12           HB2      CYS  12  11.301   2.018   2.908
   73    HB3  CYS  12           HB1      CYS  12  10.383   3.472   3.275
   74    H    GLY  13           HN       GLY  13   9.442   1.702   3.482
   75    HA2  GLY  13           HA2      GLY  13   9.256  -0.985   4.675
   76    HA3  GLY  13           HA1      GLY  13   7.799  -0.030   4.407
   77    H    TRP  14           HN       TRP  14   9.901   0.866   2.105
   78    HA   TRP  14           HA       TRP  14   8.849   0.497  -0.183
   79    HB2  TRP  14           HB2      TRP  14  10.986  -0.262  -1.205
   80    HB3  TRP  14           HB1      TRP  14  11.198   1.043  -0.052
   81    HD1  TRP  14           HD1      TRP  14  10.645  -1.441   2.288
   82    HE1  TRP  14           HE1      TRP  14  12.763  -2.692   3.037
   83    HE3  TRP  14           HE3      TRP  14  13.779  -0.209  -1.536
   84    HZ2  TRP  14           HZ2      TRP  14  15.434  -3.122   2.129
   85    HZ3  TRP  14           HZ3      TRP  14  16.108  -1.058  -1.573
   86    HH2  TRP  14           HH2      TRP  14  16.939  -2.511   0.256
   87    H    LEU  15           HN       LEU  15  10.846  -2.150  -0.576
   88    HA   LEU  15           HA       LEU  15   8.534  -3.922  -0.935
   89    HB2  LEU  15           HB2      LEU  15  10.538  -5.228  -2.149
   90    HB3  LEU  15           HB1      LEU  15   9.620  -3.957  -2.960
   91    HG   LEU  15           HG       LEU  15  12.049  -3.270  -1.319
   92   HD11  LEU  15          HD11      LEU  15  12.222  -3.753  -4.279
   93   HD12  LEU  15          HD12      LEU  15  12.453  -5.087  -3.148
   94   HD13  LEU  15          HD13      LEU  15  13.519  -3.684  -3.086
   95   HD21  LEU  15          HD21      LEU  15  11.174  -1.934  -3.862
   96   HD22  LEU  15          HD22      LEU  15  11.969  -1.234  -2.449
   97   HD23  LEU  15          HD23      LEU  15  10.253  -1.635  -2.389
   98    H    DBU  16           HN       DHB  16  11.568  -3.533   0.762
   99    HB   DBU  16           HB       DHB  16  13.141  -6.446   2.925
  100    HG1  DBU  16           HG1      DHB  16  14.651  -5.398   0.976
  101    HG2  DBU  16           HG2      DHB  16  13.298  -5.846  -0.065
  102    HG3  DBU  16           HG3      DHB  16  14.183  -7.091   0.816
  103    H    GLY  17           HN       GLY  17  11.122  -3.087   3.321
  104    HA2  GLY  17           HA2      GLY  17   9.154  -2.821   4.724
  105    HA3  GLY  17           HA1      GLY  17   9.279  -4.529   5.131
  106    H    LEU  18           HN       LEU  18  11.718  -4.989   5.956
  107    HA   LEU  18           HA       LEU  18  11.995  -3.266   8.314
  108    HB2  LEU  18           HB2      LEU  18  12.868  -6.062   7.645
  109    HB3  LEU  18           HB1      LEU  18  13.608  -5.186   8.986
  110    HG   LEU  18           HG       LEU  18  11.360  -4.787   9.949
  111   HD11  LEU  18          HD11      LEU  18  10.548  -6.242   7.448
  112   HD12  LEU  18          HD12      LEU  18   9.856  -4.784   8.158
  113   HD13  LEU  18          HD13      LEU  18   9.544  -6.356   8.893
  114   HD21  LEU  18          HD21      LEU  18  12.841  -7.032  10.138
  115   HD22  LEU  18          HD22      LEU  18  11.369  -7.726   9.458
  116   HD23  LEU  18          HD23      LEU  18  11.305  -6.842  10.983
  117    H    CYS  19           HN       CYS  19  13.222  -3.243   5.306
  118    HA   CYS  19           HA       CYS  19  15.051  -2.216   4.369
  119    HB2  CYS  19           HB2      CYS  19  14.887  -0.427   5.933
  120    HB3  CYS  19           HB1      CYS  19  15.470  -1.430   7.251
  121    H    VAL  20           HN       VAL  20  15.425  -4.685   4.179
  122    HA   VAL  20           HA       VAL  20  17.396  -5.948   5.762
  123    HB   VAL  20           HB       VAL  20  17.643  -7.365   3.576
  124   HG11  VAL  20          HG11      VAL  20  14.871  -7.279   4.755
  125   HG12  VAL  20          HG12      VAL  20  16.246  -7.761   5.746
  126   HG13  VAL  20          HG13      VAL  20  15.835  -8.685   4.301
  127   HG21  VAL  20          HG21      VAL  20  15.048  -5.910   2.997
  128   HG22  VAL  20          HG22      VAL  20  15.872  -7.092   1.979
  129   HG23  VAL  20          HG23      VAL  20  16.572  -5.490   2.212
  130    H    ARG  21           HN       ARG  21  17.599  -4.090   2.744
  131    HA   ARG  21           HA       ARG  21  20.416  -4.484   2.413
  132    HB2  ARG  21           HB2      ARG  21  18.477  -2.490   1.230
  133    HB3  ARG  21           HB1      ARG  21  20.185  -2.550   0.797
  134    HG2  ARG  21           HG2      ARG  21  19.934  -4.893   0.082
  135    HG3  ARG  21           HG1      ARG  21  18.229  -4.853   0.533
  136    HD2  ARG  21           HD2      ARG  21  17.819  -3.071  -1.110
  137    HD3  ARG  21           HD1      ARG  21  19.524  -3.070  -1.548
  138    HE   ARG  21           HE       ARG  21  19.191  -5.085  -2.710
  139   HH11  ARG  21          HH11      ARG  21  16.410  -4.121  -0.890
  140   HH12  ARG  21          HH12      ARG  21  15.345  -5.254  -1.655
  141   HH21  ARG  21          HH21      ARG  21  17.799  -6.569  -3.721
  142   HH22  ARG  21          HH22      ARG  21  16.131  -6.639  -3.258
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1   7.171   3.872  -7.086
    2    H2   ALA   1           HT2      ALA   1   7.316   2.349  -7.823
    3    H3   ALA   1           HT3      ALA   1   8.154   3.685  -8.454
    4    HA   ALA   1           HA       ALA   1   9.067   3.670  -5.940
    5    HB1  ALA   1           HB1      ALA   1   9.723   1.090  -5.847
    6    HB2  ALA   1           HB2      ALA   1   8.198   0.915  -6.715
    7    HB3  ALA   1           HB3      ALA   1   8.224   1.675  -5.124
    8    H    GLY   2           HN       GLY   2  11.377   2.745  -5.892
    9    HA2  GLY   2           HA2      GLY   2  13.357   2.115  -7.030
   10    HA3  GLY   2           HA1      GLY   2  12.536   2.391  -8.563
   11    H    GLY   3           HN       GLY   3  11.675   4.962  -6.772
   12    HA2  GLY   3           HA2      GLY   3  13.274   6.810  -8.196
   13    HA3  GLY   3           HA1      GLY   3  12.262   7.187  -6.805
   14    H    DBU   4           HN       DHB   4  13.532   5.436  -4.936
   15    HB   DBU   4           HB       DHB   4  17.370   5.702  -3.581
   16    HG1  DBU   4           HG1      DHB   4  17.992   5.332  -6.052
   17    HG2  DBU   4           HG2      DHB   4  16.375   4.678  -6.310
   18    HG3  DBU   4           HG3      DHB   4  17.524   3.812  -5.289
   19    H    ILE   5           HN       ILE   5  14.516   5.090  -2.115
   20    HA   ILE   5           HA       ILE   5  14.979   6.691  -0.084
   21    HB   ILE   5           HB       ILE   5  13.243   8.188  -1.966
   22   HG12  ILE   5          HG12      ILE   5  15.717   8.588  -1.078
   23   HG13  ILE   5          HG11      ILE   5  14.634   9.942  -1.381
   24   HG21  ILE   5          HG21      ILE   5  11.668   7.771  -0.139
   25   HG22  ILE   5          HG22      ILE   5  12.214   9.448  -0.071
   26   HG23  ILE   5          HG23      ILE   5  12.881   8.254   1.046
   27   HD11  ILE   5          HD11      ILE   5  14.432  10.445   0.840
   28   HD12  ILE   5          HD12      ILE   5  15.956   9.569   0.971
   29   HD13  ILE   5          HD13      ILE   5  14.434   8.750   1.322
   30    HA   PRO   6           HA       PRO   6  10.342   5.089   0.268
   31    HB2  PRO   6           HB2      PRO   6  10.528   3.047  -1.884
   32    HB3  PRO   6           HB1      PRO   6   9.175   4.107  -1.447
   33    HG2  PRO   6           HG2      PRO   6  10.619   4.548  -3.635
   34    HG3  PRO   6           HG1      PRO   6  10.002   5.883  -2.647
   35    HD2  PRO   6           HD2      PRO   6  12.790   4.797  -2.795
   36    HD3  PRO   6           HD1      PRO   6  12.235   6.466  -2.605
   37    H    DAL   7           HN       DAL   7  13.373   3.758  -0.032
   38    HA   DAL   7           HA       DAL   7  12.732   1.188   1.210
   39    HB1  DAL   7           HB2      DAL   7  14.836   2.732   2.593
   40    HB2  DAL   7           HB3      DAL   7  13.655   1.604   3.243
   41    H    LEU   8           HN       LEU   8  14.584   3.050  -0.867
   42    HA   LEU   8           HA       LEU   8  16.376   0.844  -1.408
   43    HB2  LEU   8           HB2      LEU   8  16.449   3.601  -2.647
   44    HB3  LEU   8           HB1      LEU   8  17.043   2.088  -3.331
   45    HG   LEU   8           HG       LEU   8  14.140   2.747  -2.752
   46   HD11  LEU   8          HD11      LEU   8  14.232   2.299  -5.394
   47   HD12  LEU   8          HD12      LEU   8  15.872   2.904  -5.173
   48   HD13  LEU   8          HD13      LEU   8  14.495   3.901  -4.707
   49   HD21  LEU   8          HD21      LEU   8  15.226   0.266  -2.703
   50   HD22  LEU   8          HD22      LEU   8  14.929   0.427  -4.432
   51   HD23  LEU   8          HD23      LEU   8  13.596   0.589  -3.290
   52    H    MET   9           HN       MET   9  16.304   3.359   0.736
   53    HA   MET   9           HA       MET   9  19.202   3.817   0.756
   54    HB2  MET   9           HB2      MET   9  17.965   5.158   2.922
   55    HB3  MET   9           HB1      MET   9  18.593   5.869   1.440
   56    HG2  MET   9           HG2      MET   9  16.410   5.423   0.333
   57    HG3  MET   9           HG1      MET   9  15.786   4.814   1.868
   58    HE1  MET   9           HE1      MET   9  15.552   7.655   4.212
   59    HE2  MET   9           HE2      MET   9  17.135   6.894   4.077
   60    HE3  MET   9           HE3      MET   9  15.678   5.917   3.913
   61    H    DBB  10           HN       DBB  10  16.587   2.528   2.779
   62    HA   DBB  10           HA       DBB  10  18.631   1.345   4.564
   63    HB2  DBB  10           HB2      DBB  10  17.508  -0.263   3.008
   64    HG1  DBB  10           HG1      DBB  10  15.074   0.490   4.599
   65    HG2  DBB  10           HG2      DBB  10  15.174  -0.880   3.502
   66    HG3  DBB  10           HG3      DBB  10  15.355   0.756   2.885
   67    H    GLY  11           HN       GLY  11  15.252   2.391   4.281
   68    HA2  GLY  11           HA2      GLY  11  14.716   2.261   7.065
   69    HA3  GLY  11           HA1      GLY  11  15.220   3.876   6.602
   70    H    CYS  12           HN       CYS  12  13.037   1.329   5.395
   71    HA   CYS  12           HA       CYS  12  10.761   3.117   5.467
   72    HB2  CYS  12           HB2      CYS  12  11.296   1.980   2.778
   73    HB3  CYS  12           HB1      CYS  12  10.413   3.437   3.213
   74    H    GLY  13           HN       GLY  13   9.399   1.696   3.388
   75    HA2  GLY  13           HA2      GLY  13   9.186  -1.030   4.501
   76    HA3  GLY  13           HA1      GLY  13   7.749  -0.050   4.226
   77    H    TRP  14           HN       TRP  14   9.913   0.820   1.951
   78    HA   TRP  14           HA       TRP  14   8.834   0.447  -0.346
   79    HB2  TRP  14           HB2      TRP  14  10.982  -0.283  -1.367
   80    HB3  TRP  14           HB1      TRP  14  11.175   1.033  -0.226
   81    HD1  TRP  14           HD1      TRP  14  10.657  -1.451   2.130
   82    HE1  TRP  14           HE1      TRP  14  12.800  -2.663   2.882
   83    HE3  TRP  14           HE3      TRP  14  13.770  -0.168  -1.697
   84    HZ2  TRP  14           HZ2      TRP  14  15.485  -3.042   1.974
   85    HZ3  TRP  14           HZ3      TRP  14  16.115  -0.970  -1.735
   86    HH2  TRP  14           HH2      TRP  14  16.975  -2.405   0.095
   87    H    LEU  15           HN       LEU  15  10.897  -2.237  -0.572
   88    HA   LEU  15           HA       LEU  15   8.584  -4.011  -0.948
   89    HB2  LEU  15           HB2      LEU  15  10.612  -5.327  -2.135
   90    HB3  LEU  15           HB1      LEU  15   9.648  -4.110  -2.974
   91    HG   LEU  15           HG       LEU  15  12.099  -3.321  -1.403
   92   HD11  LEU  15          HD11      LEU  15  12.170  -5.090  -3.553
   93   HD12  LEU  15          HD12      LEU  15  13.516  -4.119  -2.957
   94   HD13  LEU  15          HD13      LEU  15  12.513  -3.520  -4.278
   95   HD21  LEU  15          HD21      LEU  15  11.122  -2.039  -3.938
   96   HD22  LEU  15          HD22      LEU  15  11.950  -1.303  -2.567
   97   HD23  LEU  15          HD23      LEU  15  10.243  -1.729  -2.442
   98    H    DBU  16           HN       DHB  16  11.622  -3.582   0.751
   99    HB   DBU  16           HB       DHB  16  13.237  -6.421   2.957
  100    HG1  DBU  16           HG1      DHB  16  13.668  -5.364   0.117
  101    HG2  DBU  16           HG2      DHB  16  13.753  -7.094   0.452
  102    HG3  DBU  16           HG3      DHB  16  14.908  -5.992   1.202
  103    H    GLY  17           HN       GLY  17  11.263  -3.079   3.327
  104    HA2  GLY  17           HA2      GLY  17   9.230  -2.840   4.699
  105    HA3  GLY  17           HA1      GLY  17   9.498  -4.493   5.235
  106    H    LEU  18           HN       LEU  18  11.838  -4.794   6.152
  107    HA   LEU  18           HA       LEU  18  12.194  -2.690   8.183
  108    HB2  LEU  18           HB2      LEU  18  12.754  -5.639   8.126
  109    HB3  LEU  18           HB1      LEU  18  13.587  -4.595   9.279
  110    HG   LEU  18           HG       LEU  18  11.391  -3.753  10.075
  111   HD11  LEU  18          HD11      LEU  18   9.820  -3.966   8.398
  112   HD12  LEU  18          HD12      LEU  18   9.467  -5.444   9.294
  113   HD13  LEU  18          HD13      LEU  18  10.469  -5.510   7.844
  114   HD21  LEU  18          HD21      LEU  18  11.326  -5.450  11.575
  115   HD22  LEU  18          HD22      LEU  18  12.589  -6.208  10.605
  116   HD23  LEU  18          HD23      LEU  18  10.898  -6.628  10.335
  117    H    CYS  19           HN       CYS  19  13.428  -3.281   5.276
  118    HA   CYS  19           HA       CYS  19  15.360  -2.565   4.243
  119    HB2  CYS  19           HB2      CYS  19  15.404  -0.721   5.895
  120    HB3  CYS  19           HB1      CYS  19  16.246  -1.766   7.027
  121    H    VAL  20           HN       VAL  20  15.136  -5.167   4.513
  122    HA   VAL  20           HA       VAL  20  17.100  -6.502   6.046
  123    HB   VAL  20           HB       VAL  20  15.986  -7.439   3.401
  124   HG11  VAL  20          HG11      VAL  20  17.014  -9.366   3.939
  125   HG12  VAL  20          HG12      VAL  20  16.174  -9.405   5.490
  126   HG13  VAL  20          HG13      VAL  20  17.721  -8.569   5.345
  127   HG21  VAL  20          HG21      VAL  20  14.196  -8.485   4.903
  128   HG22  VAL  20          HG22      VAL  20  14.068  -6.744   4.651
  129   HG23  VAL  20          HG23      VAL  20  14.739  -7.370   6.158
  130    H    ARG  21           HN       ARG  21  17.086  -5.318   2.698
  131    HA   ARG  21           HA       ARG  21  19.609  -6.291   1.935
  132    HB2  ARG  21           HB2      ARG  21  17.940  -5.371   0.351
  133    HB3  ARG  21           HB1      ARG  21  18.238  -3.758   0.999
  134    HG2  ARG  21           HG2      ARG  21  20.619  -3.944   0.355
  135    HG3  ARG  21           HG1      ARG  21  20.307  -5.546  -0.314
  136    HD2  ARG  21           HD2      ARG  21  18.618  -4.513  -1.849
  137    HD3  ARG  21           HD1      ARG  21  19.098  -2.929  -1.247
  138    HE   ARG  21           HE       ARG  21  20.657  -4.670  -3.001
  139   HH11  ARG  21          HH11      ARG  21  20.484  -1.882  -0.958
  140   HH12  ARG  21          HH12      ARG  21  21.875  -1.118  -1.651
  141   HH21  ARG  21          HH21      ARG  21  22.482  -3.673  -3.914
  142   HH22  ARG  21          HH22      ARG  21  23.006  -2.130  -3.323
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1   8.844   0.182  -8.944
    2    H2   ALA   1           HT2      ALA   1  10.082  -0.374  -7.921
    3    H3   ALA   1           HT3      ALA   1  10.014   1.265  -8.362
    4    HA   ALA   1           HA       ALA   1   7.596   0.955  -7.272
    5    HB1  ALA   1           HB1      ALA   1   9.383  -1.174  -6.272
    6    HB2  ALA   1           HB2      ALA   1   7.623  -1.071  -6.233
    7    HB3  ALA   1           HB3      ALA   1   8.582  -0.233  -5.013
    8    H    GLY   2           HN       GLY   2  11.016   1.099  -6.301
    9    HA2  GLY   2           HA2      GLY   2  10.446   3.697  -4.997
   10    HA3  GLY   2           HA1      GLY   2  11.573   2.527  -4.315
   11    H    GLY   3           HN       GLY   3  11.622   5.373  -5.706
   12    HA2  GLY   3           HA2      GLY   3  13.644   4.904  -7.758
   13    HA3  GLY   3           HA1      GLY   3  12.942   6.458  -7.317
   14    H    DBU   4           HN       DHB   4  13.597   5.240  -4.414
   15    HB   DBU   4           HB       DHB   4  17.488   5.777  -3.107
   16    HG1  DBU   4           HG1      DHB   4  17.884   5.331  -5.775
   17    HG2  DBU   4           HG2      DHB   4  16.695   4.057  -5.501
   18    HG3  DBU   4           HG3      DHB   4  18.234   4.027  -4.640
   19    H    ILE   5           HN       ILE   5  14.507   4.979  -1.719
   20    HA   ILE   5           HA       ILE   5  14.867   6.717   0.226
   21    HB   ILE   5           HB       ILE   5  13.175   8.034  -1.806
   22   HG12  ILE   5          HG12      ILE   5  15.581   8.594  -0.868
   23   HG13  ILE   5          HG11      ILE   5  14.448   9.894  -1.221
   24   HG21  ILE   5          HG21      ILE   5  12.117   9.410   0.079
   25   HG22  ILE   5          HG22      ILE   5  12.621   8.119   1.173
   26   HG23  ILE   5          HG23      ILE   5  11.475   7.779  -0.127
   27   HD11  ILE   5          HD11      ILE   5  14.006  10.301   1.037
   28   HD12  ILE   5          HD12      ILE   5  15.708   9.840   1.099
   29   HD13  ILE   5          HD13      ILE   5  14.461   8.667   1.522
   30    HA   PRO   6           HA       PRO   6  10.330   5.045   0.686
   31    HB2  PRO   6           HB2      PRO   6  10.152   3.172  -1.586
   32    HB3  PRO   6           HB1      PRO   6   8.991   4.397  -1.046
   33    HG2  PRO   6           HG2      PRO   6  10.423   4.668  -3.301
   34    HG3  PRO   6           HG1      PRO   6   9.947   6.050  -2.297
   35    HD2  PRO   6           HD2      PRO   6  12.621   4.703  -2.489
   36    HD3  PRO   6           HD1      PRO   6  12.234   6.418  -2.302
   37    H    DAL   7           HN       DAL   7  13.272   3.706   0.214
   38    HA   DAL   7           HA       DAL   7  12.717   0.957   0.901
   39    HB1  DAL   7           HB2      DAL   7  14.419   2.000   2.967
   40    HB2  DAL   7           HB3      DAL   7  12.946   1.048   3.126
   41    H    LEU   8           HN       LEU   8  14.482   3.100  -0.693
   42    HA   LEU   8           HA       LEU   8  16.641   1.340  -1.236
   43    HB2  LEU   8           HB2      LEU   8  16.075   4.244  -1.833
   44    HB3  LEU   8           HB1      LEU   8  17.612   3.505  -2.275
   45    HG   LEU   8           HG       LEU   8  15.640   3.490  -4.002
   46   HD11  LEU   8          HD11      LEU   8  16.393   0.932  -4.432
   47   HD12  LEU   8          HD12      LEU   8  17.643   1.431  -3.292
   48   HD13  LEU   8          HD13      LEU   8  17.420   2.318  -4.800
   49   HD21  LEU   8          HD21      LEU   8  14.253   1.432  -3.809
   50   HD22  LEU   8          HD22      LEU   8  13.934   2.577  -2.507
   51   HD23  LEU   8          HD23      LEU   8  14.929   1.154  -2.204
   52    H    MET   9           HN       MET   9  16.176   4.113   0.861
   53    HA   MET   9           HA       MET   9  18.837   4.524   1.694
   54    HB2  MET   9           HB2      MET   9  16.340   4.960   3.335
   55    HB3  MET   9           HB1      MET   9  17.864   5.830   3.463
   56    HG2  MET   9           HG2      MET   9  17.068   6.046   0.766
   57    HG3  MET   9           HG1      MET   9  15.630   6.340   1.744
   58    HE1  MET   9           HE1      MET   9  18.394   8.586   0.100
   59    HE2  MET   9           HE2      MET   9  18.937   7.014   0.682
   60    HE3  MET   9           HE3      MET   9  19.550   8.485   1.434
   61    H    DBB  10           HN       DBB  10  16.230   2.474   2.977
   62    HA   DBB  10           HA       DBB  10  18.243   1.125   4.674
   63    HB2  DBB  10           HB2      DBB  10  17.127  -0.068   2.646
   64    HG1  DBB  10           HG1      DBB  10  14.900   0.102   4.618
   65    HG2  DBB  10           HG2      DBB  10  15.064  -1.343   3.633
   66    HG3  DBB  10           HG3      DBB  10  14.869   0.220   2.866
   67    H    GLY  11           HN       GLY  11  15.000   2.405   4.480
   68    HA2  GLY  11           HA2      GLY  11  14.195   1.431   7.049
   69    HA3  GLY  11           HA1      GLY  11  14.721   3.103   7.077
   70    H    CYS  12           HN       CYS  12  12.472   0.881   5.484
   71    HA   CYS  12           HA       CYS  12  10.362   2.873   5.557
   72    HB2  CYS  12           HB2      CYS  12  10.840   1.728   2.865
   73    HB3  CYS  12           HB1      CYS  12  10.112   3.268   3.304
   74    H    GLY  13           HN       GLY  13   8.947   1.569   3.389
   75    HA2  GLY  13           HA2      GLY  13   8.448  -1.139   4.458
   76    HA3  GLY  13           HA1      GLY  13   7.115  -0.016   4.226
   77    H    TRP  14           HN       TRP  14   9.679   0.288   2.028
   78    HA   TRP  14           HA       TRP  14   8.219   0.060  -0.264
   79    HB2  TRP  14           HB2      TRP  14  10.358  -0.363  -1.425
   80    HB3  TRP  14           HB1      TRP  14  10.483   0.929  -0.258
   81    HD1  TRP  14           HD1      TRP  14  10.500  -1.484   2.143
   82    HE1  TRP  14           HE1      TRP  14  12.805  -2.526   2.633
   83    HE3  TRP  14           HE3      TRP  14  12.981  -0.156  -2.111
   84    HZ2  TRP  14           HZ2      TRP  14  15.368  -2.769   1.377
   85    HZ3  TRP  14           HZ3      TRP  14  15.348  -0.805  -2.443
   86    HH2  TRP  14           HH2      TRP  14  16.544  -2.109  -0.707
   87    H    LEU  15           HN       LEU  15  10.534  -2.273  -0.795
   88    HA   LEU  15           HA       LEU  15   8.489  -4.335  -1.105
   89    HB2  LEU  15           HB2      LEU  15  10.685  -5.398  -2.244
   90    HB3  LEU  15           HB1      LEU  15   9.615  -4.289  -3.100
   91    HG   LEU  15           HG       LEU  15  11.922  -3.254  -1.454
   92   HD11  LEU  15          HD11      LEU  15  13.395  -4.133  -2.895
   93   HD12  LEU  15          HD12      LEU  15  12.642  -3.188  -4.181
   94   HD13  LEU  15          HD13      LEU  15  12.094  -4.834  -3.859
   95   HD21  LEU  15          HD21      LEU  15  11.547  -1.235  -2.538
   96   HD22  LEU  15          HD22      LEU  15   9.903  -1.879  -2.547
   97   HD23  LEU  15          HD23      LEU  15  10.911  -2.013  -3.988
   98    H    DBU  16           HN       DHB  16  11.345  -3.560   0.747
   99    HB   DBU  16           HB       DHB  16  13.125  -6.396   2.916
  100    HG1  DBU  16           HG1      DHB  16  13.810  -5.268   0.239
  101    HG2  DBU  16           HG2      DHB  16  13.213  -6.926   0.145
  102    HG3  DBU  16           HG3      DHB  16  14.645  -6.556   1.108
  103    H    GLY  17           HN       GLY  17  11.495  -3.079   3.345
  104    HA2  GLY  17           HA2      GLY  17   9.532  -2.585   4.777
  105    HA3  GLY  17           HA1      GLY  17   9.629  -4.256   5.319
  106    H    LEU  18           HN       LEU  18  11.996  -4.807   6.100
  107    HA   LEU  18           HA       LEU  18  12.655  -2.768   8.120
  108    HB2  LEU  18           HB2      LEU  18  13.253  -5.730   7.988
  109    HB3  LEU  18           HB1      LEU  18  13.819  -4.656   9.270
  110    HG   LEU  18           HG       LEU  18  10.904  -5.022   8.524
  111   HD11  LEU  18          HD11      LEU  18  11.602  -7.103   9.454
  112   HD12  LEU  18          HD12      LEU  18  10.869  -6.217  10.793
  113   HD13  LEU  18          HD13      LEU  18  12.624  -6.308  10.651
  114   HD21  LEU  18          HD21      LEU  18  11.072  -4.081  11.108
  115   HD22  LEU  18          HD22      LEU  18  10.784  -3.073   9.688
  116   HD23  LEU  18          HD23      LEU  18  12.419  -3.254  10.327
  117    H    CYS  19           HN       CYS  19  13.685  -3.676   5.139
  118    HA   CYS  19           HA       CYS  19  15.565  -3.047   3.959
  119    HB2  CYS  19           HB2      CYS  19  15.731  -1.211   5.748
  120    HB3  CYS  19           HB1      CYS  19  16.886  -2.265   6.555
  121    H    VAL  20           HN       VAL  20  15.898  -5.211   3.452
  122    HA   VAL  20           HA       VAL  20  17.801  -6.684   5.157
  123    HB   VAL  20           HB       VAL  20  16.419  -7.936   2.822
  124   HG11  VAL  20          HG11      VAL  20  18.056  -8.789   4.928
  125   HG12  VAL  20          HG12      VAL  20  17.126  -9.822   3.841
  126   HG13  VAL  20          HG13      VAL  20  16.437  -9.320   5.385
  127   HG21  VAL  20          HG21      VAL  20  14.689  -6.592   4.048
  128   HG22  VAL  20          HG22      VAL  20  15.105  -7.472   5.518
  129   HG23  VAL  20          HG23      VAL  20  14.412  -8.331   4.143
  130    H    ARG  21           HN       ARG  21  17.532  -4.918   2.256
  131    HA   ARG  21           HA       ARG  21  19.283  -6.186   0.516
  132    HB2  ARG  21           HB2      ARG  21  17.970  -4.154  -0.046
  133    HB3  ARG  21           HB1      ARG  21  19.064  -3.194   0.953
  134    HG2  ARG  21           HG2      ARG  21  20.972  -3.958  -0.451
  135    HG3  ARG  21           HG1      ARG  21  19.838  -4.837  -1.477
  136    HD2  ARG  21           HD2      ARG  21  20.277  -2.713  -2.533
  137    HD3  ARG  21           HD1      ARG  21  18.640  -2.660  -1.883
  138    HE   ARG  21           HE       ARG  21  20.431  -1.652   0.056
  139   HH11  ARG  21          HH11      ARG  21  19.085  -0.925  -3.047
  140   HH12  ARG  21          HH12      ARG  21  19.196   0.793  -2.845
  141   HH21  ARG  21          HH21      ARG  21  20.589   0.598   0.323
  142   HH22  ARG  21          HH22      ARG  21  20.046   1.654  -0.936
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  10.844   1.803  -6.140
    2    H2   ALA   1           HT2      ALA   1   9.990   0.495  -6.808
    3    H3   ALA   1           HT3      ALA   1   9.156   1.885  -6.295
    4    HA   ALA   1           HA       ALA   1  10.966   1.598  -8.622
    5    HB1  ALA   1           HB1      ALA   1   8.849   2.697  -9.669
    6    HB2  ALA   1           HB2      ALA   1   8.043   2.185  -8.187
    7    HB3  ALA   1           HB3      ALA   1   8.782   0.985  -9.247
    8    H    GLY   2           HN       GLY   2  10.704   3.411  -5.972
    9    HA2  GLY   2           HA2      GLY   2  10.408   6.071  -6.882
   10    HA3  GLY   2           HA1      GLY   2  11.228   5.577  -5.404
   11    H    GLY   3           HN       GLY   3  13.148   3.874  -6.772
   12    HA2  GLY   3           HA2      GLY   3  15.051   4.004  -8.152
   13    HA3  GLY   3           HA1      GLY   3  14.662   5.688  -8.495
   14    H    DBU   4           HN       DHB   4  14.361   5.069  -5.204
   15    HB   DBU   4           HB       DHB   4  17.926   5.873  -3.229
   16    HG1  DBU   4           HG1      DHB   4  19.144   5.241  -5.401
   17    HG2  DBU   4           HG2      DHB   4  17.782   4.197  -5.800
   18    HG3  DBU   4           HG3      DHB   4  18.792   3.829  -4.402
   19    H    ILE   5           HN       ILE   5  14.977   5.030  -2.204
   20    HA   ILE   5           HA       ILE   5  14.858   6.987  -0.462
   21    HB   ILE   5           HB       ILE   5  13.313   7.890  -2.825
   22   HG12  ILE   5          HG12      ILE   5  15.535   8.809  -1.736
   23   HG13  ILE   5          HG11      ILE   5  14.322   9.940  -2.327
   24   HG21  ILE   5          HG21      ILE   5  12.033   9.388  -1.075
   25   HG22  ILE   5          HG22      ILE   5  12.355   8.041   0.019
   26   HG23  ILE   5          HG23      ILE   5  11.421   7.777  -1.456
   27   HD11  ILE   5          HD11      ILE   5  13.770  10.648  -0.222
   28   HD12  ILE   5          HD12      ILE   5  15.384  10.058   0.171
   29   HD13  ILE   5          HD13      ILE   5  13.975   9.044   0.478
   30    HA   PRO   6           HA       PRO   6  10.431   4.881  -0.491
   31    HB2  PRO   6           HB2      PRO   6  11.098   2.623  -2.300
   32    HB3  PRO   6           HB1      PRO   6   9.606   3.577  -2.186
   33    HG2  PRO   6           HG2      PRO   6  11.301   3.901  -4.225
   34    HG3  PRO   6           HG1      PRO   6  10.396   5.256  -3.531
   35    HD2  PRO   6           HD2      PRO   6  13.283   4.567  -3.197
   36    HD3  PRO   6           HD1      PRO   6  12.497   6.156  -3.266
   37    H    DAL   7           HN       DAL   7  13.422   3.098  -1.004
   38    HA   DAL   7           HA       DAL   7  12.990   0.833   0.419
   39    HB1  DAL   7           HB2      DAL   7  13.208   3.165   2.168
   40    HB2  DAL   7           HB3      DAL   7  14.206   1.788   2.625
   41    H    LEU   8           HN       LEU   8  15.009   2.859  -1.177
   42    HA   LEU   8           HA       LEU   8  17.189   0.972  -0.999
   43    HB2  LEU   8           HB2      LEU   8  17.321   3.685  -2.315
   44    HB3  LEU   8           HB1      LEU   8  18.172   2.204  -2.759
   45    HG   LEU   8           HG       LEU   8  15.256   2.872  -3.141
   46   HD11  LEU   8          HD11      LEU   8  17.643   2.416  -4.838
   47   HD12  LEU   8          HD12      LEU   8  16.226   3.427  -5.131
   48   HD13  LEU   8          HD13      LEU   8  16.144   1.690  -5.421
   49   HD21  LEU   8          HD21      LEU   8  16.562   0.226  -2.756
   50   HD22  LEU   8          HD22      LEU   8  15.432   0.349  -4.103
   51   HD23  LEU   8          HD23      LEU   8  14.891   0.709  -2.464
   52    H    MET   9           HN       MET   9  16.190   3.776   0.613
   53    HA   MET   9           HA       MET   9  18.666   4.918   1.362
   54    HB2  MET   9           HB2      MET   9  16.063   4.942   2.907
   55    HB3  MET   9           HB1      MET   9  17.374   6.115   3.012
   56    HG2  MET   9           HG2      MET   9  17.033   6.675   0.611
   57    HG3  MET   9           HG1      MET   9  15.658   5.574   0.583
   58    HE1  MET   9           HE1      MET   9  17.246   8.743   1.755
   59    HE2  MET   9           HE2      MET   9  16.940   8.126   3.376
   60    HE3  MET   9           HE3      MET   9  16.075   9.552   2.806
   61    H    DBB  10           HN       DBB  10  16.619   2.409   2.766
   62    HA   DBB  10           HA       DBB  10  18.889   1.614   4.464
   63    HB2  DBB  10           HB2      DBB  10  18.103  -0.047   2.878
   64    HG1  DBB  10           HG1      DBB  10  15.753   0.946   2.947
   65    HG2  DBB  10           HG2      DBB  10  15.466  -0.149   4.290
   66    HG3  DBB  10           HG3      DBB  10  15.909  -0.788   2.706
   67    H    GLY  11           HN       GLY  11  15.294   1.629   4.642
   68    HA2  GLY  11           HA2      GLY  11  14.956   1.140   7.296
   69    HA3  GLY  11           HA1      GLY  11  15.446   2.823   7.247
   70    H    CYS  12           HN       CYS  12  13.257   0.805   5.279
   71    HA   CYS  12           HA       CYS  12  11.031   2.611   5.961
   72    HB2  CYS  12           HB2      CYS  12  10.413   2.869   3.641
   73    HB3  CYS  12           HB1      CYS  12  12.105   3.333   3.796
   74    H    GLY  13           HN       GLY  13   9.396   1.460   3.895
   75    HA2  GLY  13           HA2      GLY  13   9.129  -1.331   4.811
   76    HA3  GLY  13           HA1      GLY  13   7.732  -0.269   4.665
   77    H    TRP  14           HN       TRP  14   9.760   0.702   2.341
   78    HA   TRP  14           HA       TRP  14   8.590   0.516   0.086
   79    HB2  TRP  14           HB2      TRP  14  10.647  -0.198  -1.108
   80    HB3  TRP  14           HB1      TRP  14  10.970   0.988   0.144
   81    HD1  TRP  14           HD1      TRP  14  10.497  -1.594   2.321
   82    HE1  TRP  14           HE1      TRP  14  12.597  -3.009   2.818
   83    HE3  TRP  14           HE3      TRP  14  13.376  -0.288  -1.670
   84    HZ2  TRP  14           HZ2      TRP  14  15.174  -3.506   1.654
   85    HZ3  TRP  14           HZ3      TRP  14  15.643  -1.240  -1.961
   86    HH2  TRP  14           HH2      TRP  14  16.544  -2.846  -0.304
   87    H    LEU  15           HN       LEU  15  10.496  -2.245  -0.428
   88    HA   LEU  15           HA       LEU  15   8.080  -3.848  -0.851
   89    HB2  LEU  15           HB2      LEU  15   9.942  -5.266  -2.110
   90    HB3  LEU  15           HB1      LEU  15   9.197  -3.858  -2.872
   91    HG   LEU  15           HG       LEU  15  11.683  -3.589  -1.183
   92   HD11  LEU  15          HD11      LEU  15  11.753  -3.853  -4.180
   93   HD12  LEU  15          HD12      LEU  15  11.866  -5.278  -3.149
   94   HD13  LEU  15          HD13      LEU  15  13.077  -4.003  -3.025
   95   HD21  LEU  15          HD21      LEU  15  11.204  -1.900  -3.567
   96   HD22  LEU  15          HD22      LEU  15  11.718  -1.436  -1.945
   97   HD23  LEU  15          HD23      LEU  15  10.010  -1.713  -2.284
   98    H    DBU  16           HN       DHB  16  11.067  -3.655   0.928
   99    HB   DBU  16           HB       DHB  16  12.491  -6.686   3.012
  100    HG1  DBU  16           HG1      DHB  16  12.550  -6.620   0.059
  101    HG2  DBU  16           HG2      DHB  16  13.807  -7.208   1.146
  102    HG3  DBU  16           HG3      DHB  16  13.725  -5.494   0.737
  103    H    GLY  17           HN       GLY  17  10.603  -3.170   3.464
  104    HA2  GLY  17           HA2      GLY  17   8.580  -3.045   4.909
  105    HA3  GLY  17           HA1      GLY  17   8.999  -4.661   5.466
  106    H    LEU  18           HN       LEU  18  11.880  -4.054   5.499
  107    HA   LEU  18           HA       LEU  18  12.310  -1.891   7.342
  108    HB2  LEU  18           HB2      LEU  18  13.229  -3.660   9.082
  109    HB3  LEU  18           HB1      LEU  18  11.536  -3.170   9.107
  110    HG   LEU  18           HG       LEU  18  12.241  -5.432   7.309
  111   HD11  LEU  18          HD11      LEU  18  13.308  -6.557   8.966
  112   HD12  LEU  18          HD12      LEU  18  11.705  -6.725   9.685
  113   HD13  LEU  18          HD13      LEU  18  12.772  -5.419  10.202
  114   HD21  LEU  18          HD21      LEU  18   9.988  -5.485   7.321
  115   HD22  LEU  18          HD22      LEU  18   9.936  -4.250   8.578
  116   HD23  LEU  18          HD23      LEU  18  10.046  -5.953   9.021
  117    H    CYS  19           HN       CYS  19  13.794  -1.477   5.611
  118    HA   CYS  19           HA       CYS  19  15.683  -2.084   4.263
  119    HB2  CYS  19           HB2      CYS  19  16.097  -0.278   6.005
  120    HB3  CYS  19           HB1      CYS  19  16.856  -1.530   6.987
  121    H    VAL  20           HN       VAL  20  15.001  -4.476   4.295
  122    HA   VAL  20           HA       VAL  20  16.300  -6.304   6.023
  123    HB   VAL  20           HB       VAL  20  15.218  -6.631   3.217
  124   HG11  VAL  20          HG11      VAL  20  15.702  -8.881   3.291
  125   HG12  VAL  20          HG12      VAL  20  15.628  -8.946   5.052
  126   HG13  VAL  20          HG13      VAL  20  17.057  -8.289   4.253
  127   HG21  VAL  20          HG21      VAL  20  13.388  -6.213   4.620
  128   HG22  VAL  20          HG22      VAL  20  14.149  -6.995   6.006
  129   HG23  VAL  20          HG23      VAL  20  13.506  -7.972   4.687
  130    H    ARG  21           HN       ARG  21  17.144  -5.022   2.822
  131    HA   ARG  21           HA       ARG  21  19.473  -6.536   2.405
  132    HB2  ARG  21           HB2      ARG  21  18.356  -5.177   0.654
  133    HB3  ARG  21           HB1      ARG  21  18.913  -3.710   1.462
  134    HG2  ARG  21           HG2      ARG  21  21.263  -4.506   1.209
  135    HG3  ARG  21           HG1      ARG  21  20.667  -5.904   0.312
  136    HD2  ARG  21           HD2      ARG  21  20.184  -3.021  -0.484
  137    HD3  ARG  21           HD1      ARG  21  21.431  -4.051  -1.178
  138    HE   ARG  21           HE       ARG  21  18.635  -4.105  -1.812
  139   HH11  ARG  21          HH11      ARG  21  21.501  -6.015  -1.470
  140   HH12  ARG  21          HH12      ARG  21  20.993  -7.227  -2.597
  141   HH21  ARG  21          HH21      ARG  21  17.964  -5.690  -3.293
  142   HH22  ARG  21          HH22      ARG  21  18.990  -7.044  -3.630
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  12.476  -2.725  -7.834
    2    H2   ALA   1           HT2      ALA   1  11.069  -1.806  -8.096
    3    H3   ALA   1           HT3      ALA   1  11.972  -1.597  -6.672
    4    HA   ALA   1           HA       ALA   1  13.889  -0.928  -8.177
    5    HB1  ALA   1           HB1      ALA   1  13.430  -0.380 -10.392
    6    HB2  ALA   1           HB2      ALA   1  11.705  -0.177 -10.091
    7    HB3  ALA   1           HB3      ALA   1  12.400  -1.795 -10.178
    8    H    GLY   2           HN       GLY   2  13.796   0.417  -6.315
    9    HA2  GLY   2           HA2      GLY   2  11.792   2.529  -6.198
   10    HA3  GLY   2           HA1      GLY   2  13.068   2.229  -5.020
   11    H    GLY   3           HN       GLY   3  12.329   4.773  -6.164
   12    HA2  GLY   3           HA2      GLY   3  14.398   5.472  -8.082
   13    HA3  GLY   3           HA1      GLY   3  13.202   6.562  -7.386
   14    H    DBU   4           HN       DHB   4  14.347   4.959  -4.801
   15    HB   DBU   4           HB       DHB   4  17.759   6.231  -3.003
   16    HG1  DBU   4           HG1      DHB   4  18.947   5.720  -5.161
   17    HG2  DBU   4           HG2      DHB   4  17.534   4.830  -5.728
   18    HG3  DBU   4           HG3      DHB   4  18.500   4.195  -4.397
   19    H    ILE   5           HN       ILE   5  14.763   5.152  -1.911
   20    HA   ILE   5           HA       ILE   5  14.679   6.983  -0.019
   21    HB   ILE   5           HB       ILE   5  13.101   8.025  -2.290
   22   HG12  ILE   5          HG12      ILE   5  15.293   8.916  -1.138
   23   HG13  ILE   5          HG11      ILE   5  14.043  10.061  -1.616
   24   HG21  ILE   5          HG21      ILE   5  11.685   9.322  -0.585
   25   HG22  ILE   5          HG22      ILE   5  12.182   8.105   0.593
   26   HG23  ILE   5          HG23      ILE   5  11.250   7.629  -0.829
   27   HD11  ILE   5          HD11      ILE   5  13.533  10.590   0.544
   28   HD12  ILE   5          HD12      ILE   5  15.132   9.933   0.892
   29   HD13  ILE   5          HD13      ILE   5  13.701   8.921   1.089
   30    HA   PRO   6           HA       PRO   6  10.280   4.834  -0.114
   31    HB2  PRO   6           HB2      PRO   6  10.925   2.724  -2.100
   32    HB3  PRO   6           HB1      PRO   6   9.431   3.657  -1.890
   33    HG2  PRO   6           HG2      PRO   6  11.083   4.140  -3.927
   34    HG3  PRO   6           HG1      PRO   6  10.190   5.438  -3.117
   35    HD2  PRO   6           HD2      PRO   6  13.085   4.728  -2.882
   36    HD3  PRO   6           HD1      PRO   6  12.300   6.316  -2.829
   37    H    DAL   7           HN       DAL   7  13.297   3.170  -0.785
   38    HA   DAL   7           HA       DAL   7  12.937   0.786   0.470
   39    HB1  DAL   7           HB2      DAL   7  13.074   3.013   2.352
   40    HB2  DAL   7           HB3      DAL   7  14.125   1.653   2.732
   41    H    LEU   8           HN       LEU   8  14.814   2.816  -1.145
   42    HA   LEU   8           HA       LEU   8  17.071   1.078  -1.118
   43    HB2  LEU   8           HB2      LEU   8  17.068   3.920  -2.139
   44    HB3  LEU   8           HB1      LEU   8  18.000   2.544  -2.732
   45    HG   LEU   8           HG       LEU   8  15.065   3.117  -3.071
   46   HD11  LEU   8          HD11      LEU   8  17.462   2.705  -4.802
   47   HD12  LEU   8          HD12      LEU   8  16.138   3.856  -4.972
   48   HD13  LEU   8          HD13      LEU   8  15.901   2.168  -5.425
   49   HD21  LEU   8          HD21      LEU   8  14.738   0.907  -2.536
   50   HD22  LEU   8          HD22      LEU   8  16.423   0.479  -2.839
   51   HD23  LEU   8          HD23      LEU   8  15.304   0.661  -4.189
   52    H    MET   9           HN       MET   9  16.098   3.813   0.693
   53    HA   MET   9           HA       MET   9  18.565   4.848   1.551
   54    HB2  MET   9           HB2      MET   9  15.962   4.735   3.093
   55    HB3  MET   9           HB1      MET   9  17.275   5.888   3.323
   56    HG2  MET   9           HG2      MET   9  16.951   6.627   0.941
   57    HG3  MET   9           HG1      MET   9  15.523   5.598   0.880
   58    HE1  MET   9           HE1      MET   9  16.551   9.430   2.607
   59    HE2  MET   9           HE2      MET   9  17.493   7.944   2.726
   60    HE3  MET   9           HE3      MET   9  16.481   8.449   4.076
   61    H    DBB  10           HN       DBB  10  16.522   2.240   2.816
   62    HA   DBB  10           HA       DBB  10  18.828   1.333   4.412
   63    HB2  DBB  10           HB2      DBB  10  17.921  -0.196   2.693
   64    HG1  DBB  10           HG1      DBB  10  15.478  -0.456   4.415
   65    HG2  DBB  10           HG2      DBB  10  15.741  -1.054   2.777
   66    HG3  DBB  10           HG3      DBB  10  15.569   0.673   3.069
   67    H    GLY  11           HN       GLY  11  15.241   1.441   4.632
   68    HA2  GLY  11           HA2      GLY  11  14.945   0.753   7.267
   69    HA3  GLY  11           HA1      GLY  11  15.415   2.443   7.302
   70    H    CYS  12           HN       CYS  12  13.196   0.457   5.322
   71    HA   CYS  12           HA       CYS  12  10.963   2.210   6.101
   72    HB2  CYS  12           HB2      CYS  12  10.297   2.547   3.797
   73    HB3  CYS  12           HB1      CYS  12  11.973   3.064   3.964
   74    H    GLY  13           HN       GLY  13   9.350   1.120   3.951
   75    HA2  GLY  13           HA2      GLY  13   9.090  -1.710   4.747
   76    HA3  GLY  13           HA1      GLY  13   7.689  -0.645   4.651
   77    H    TRP  14           HN       TRP  14   9.678   0.457   2.349
   78    HA   TRP  14           HA       TRP  14   8.450   0.305   0.105
   79    HB2  TRP  14           HB2      TRP  14  10.522  -0.196  -1.145
   80    HB3  TRP  14           HB1      TRP  14  10.811   0.910   0.183
   81    HD1  TRP  14           HD1      TRP  14  10.522  -1.779   2.210
   82    HE1  TRP  14           HE1      TRP  14  12.682  -3.145   2.568
   83    HE3  TRP  14           HE3      TRP  14  13.200  -0.214  -1.824
   84    HZ2  TRP  14           HZ2      TRP  14  15.219  -3.518   1.288
   85    HZ3  TRP  14           HZ3      TRP  14  15.481  -1.084  -2.242
   86    HH2  TRP  14           HH2      TRP  14  16.494  -2.732  -0.692
   87    H    LEU  15           HN       LEU  15  10.507  -2.349  -0.513
   88    HA   LEU  15           HA       LEU  15   8.173  -4.114  -0.815
   89    HB2  LEU  15           HB2      LEU  15   9.825  -5.220  -2.514
   90    HB3  LEU  15           HB1      LEU  15   8.981  -3.739  -2.975
   91    HG   LEU  15           HG       LEU  15  11.663  -3.624  -1.607
   92   HD11  LEU  15          HD11      LEU  15  11.911  -3.201  -4.424
   93   HD12  LEU  15          HD12      LEU  15  11.161  -4.776  -4.159
   94   HD13  LEU  15          HD13      LEU  15  12.718  -4.405  -3.419
   95   HD21  LEU  15          HD21      LEU  15   9.830  -1.680  -2.323
   96   HD22  LEU  15          HD22      LEU  15  10.940  -1.673  -3.692
   97   HD23  LEU  15          HD23      LEU  15  11.550  -1.399  -2.062
   98    H    DBU  16           HN       DHB  16  11.338  -3.691   0.552
   99    HB   DBU  16           HB       DHB  16  13.422  -6.689   2.060
  100    HG1  DBU  16           HG1      DHB  16  14.645  -6.640   0.067
  101    HG2  DBU  16           HG2      DHB  16  13.925  -5.082  -0.337
  102    HG3  DBU  16           HG3      DHB  16  13.111  -6.575  -0.801
  103    H    GLY  17           HN       GLY  17  11.194  -3.506   3.119
  104    HA2  GLY  17           HA2      GLY  17   9.677  -3.458   4.939
  105    HA3  GLY  17           HA1      GLY  17   9.674  -5.218   4.959
  106    H    LEU  18           HN       LEU  18  11.343  -2.334   5.968
  107    HA   LEU  18           HA       LEU  18  12.699  -1.972   7.803
  108    HB2  LEU  18           HB2      LEU  18  12.531  -4.964   8.245
  109    HB3  LEU  18           HB1      LEU  18  13.137  -3.768   9.388
  110    HG   LEU  18           HG       LEU  18  10.311  -3.853   8.292
  111   HD11  LEU  18          HD11      LEU  18  10.251  -4.172  11.052
  112   HD12  LEU  18          HD12      LEU  18  11.623  -5.163  10.556
  113   HD13  LEU  18          HD13      LEU  18  10.028  -5.455   9.863
  114   HD21  LEU  18          HD21      LEU  18  11.867  -1.806   9.610
  115   HD22  LEU  18          HD22      LEU  18  10.533  -2.303  10.650
  116   HD23  LEU  18          HD23      LEU  18  10.208  -1.719   9.018
  117    H    CYS  19           HN       CYS  19  13.967  -1.728   5.612
  118    HA   CYS  19           HA       CYS  19  15.785  -2.440   4.247
  119    HB2  CYS  19           HB2      CYS  19  16.341  -0.642   6.035
  120    HB3  CYS  19           HB1      CYS  19  17.224  -1.941   6.836
  121    H    VAL  20           HN       VAL  20  15.520  -4.665   3.871
  122    HA   VAL  20           HA       VAL  20  16.899  -6.477   5.741
  123    HB   VAL  20           HB       VAL  20  14.990  -7.053   3.463
  124   HG11  VAL  20          HG11      VAL  20  16.304  -8.975   3.518
  125   HG12  VAL  20          HG12      VAL  20  15.091  -9.369   4.737
  126   HG13  VAL  20          HG13      VAL  20  16.683  -8.790   5.231
  127   HG21  VAL  20          HG21      VAL  20  14.562  -7.639   6.386
  128   HG22  VAL  20          HG22      VAL  20  13.361  -7.440   5.109
  129   HG23  VAL  20          HG23      VAL  20  14.213  -6.032   5.746
  130    H    ARG  21           HN       ARG  21  17.245  -4.895   2.740
  131    HA   ARG  21           HA       ARG  21  18.981  -6.845   1.512
  132    HB2  ARG  21           HB2      ARG  21  17.620  -5.267   0.168
  133    HB3  ARG  21           HB1      ARG  21  18.567  -3.924   0.817
  134    HG2  ARG  21           HG2      ARG  21  20.621  -4.916  -0.120
  135    HG3  ARG  21           HG1      ARG  21  19.681  -6.260  -0.768
  136    HD2  ARG  21           HD2      ARG  21  18.318  -4.588  -2.061
  137    HD3  ARG  21           HD1      ARG  21  19.439  -3.338  -1.527
  138    HE   ARG  21           HE       ARG  21  20.940  -5.411  -2.687
  139   HH11  ARG  21          HH11      ARG  21  18.579  -3.023  -3.521
  140   HH12  ARG  21          HH12      ARG  21  19.128  -2.850  -5.155
  141   HH21  ARG  21          HH21      ARG  21  21.664  -5.194  -4.828
  142   HH22  ARG  21          HH22      ARG  21  20.876  -4.080  -5.895
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1   8.702   2.902  -8.791
    2    H2   ALA   1           HT2      ALA   1   8.158   4.360  -8.110
    3    H3   ALA   1           HT3      ALA   1   9.559   3.611  -7.509
    4    HA   ALA   1           HA       ALA   1   9.394   4.473 -10.326
    5    HB1  ALA   1           HB1      ALA   1   9.157   6.205  -8.124
    6    HB2  ALA   1           HB2      ALA   1   9.560   6.652  -9.781
    7    HB3  ALA   1           HB3      ALA   1  10.845   6.315  -8.622
    8    H    GLY   2           HN       GLY   2  11.261   3.910  -7.354
    9    HA2  GLY   2           HA2      GLY   2  13.222   2.668  -7.118
   10    HA3  GLY   2           HA1      GLY   2  13.308   2.516  -8.871
   11    H    GLY   3           HN       GLY   3  12.740   5.706  -8.000
   12    HA2  GLY   3           HA2      GLY   3  15.231   6.638  -8.975
   13    HA3  GLY   3           HA1      GLY   3  14.024   7.611  -8.139
   14    H    DBU   4           HN       DHB   4  13.977   6.092  -5.705
   15    HB   DBU   4           HB       DHB   4  17.294   6.042  -3.217
   16    HG1  DBU   4           HG1      DHB   4  17.379   5.107  -6.115
   17    HG2  DBU   4           HG2      DHB   4  18.582   4.804  -4.858
   18    HG3  DBU   4           HG3      DHB   4  18.490   6.390  -5.628
   19    H    ILE   5           HN       ILE   5  15.539   5.573  -2.088
   20    HA   ILE   5           HA       ILE   5  14.632   6.746  -0.207
   21    HB   ILE   5           HB       ILE   5  12.487   7.651  -2.118
   22   HG12  ILE   5          HG12      ILE   5  14.823   8.725  -2.264
   23   HG13  ILE   5          HG11      ILE   5  13.479   9.823  -1.962
   24   HG21  ILE   5          HG21      ILE   5  12.899   7.907   0.855
   25   HG22  ILE   5          HG22      ILE   5  11.437   7.447  -0.020
   26   HG23  ILE   5          HG23      ILE   5  11.982   9.126  -0.031
   27   HD11  ILE   5          HD11      ILE   5  15.742   9.738  -0.446
   28   HD12  ILE   5          HD12      ILE   5  14.692   8.647   0.458
   29   HD13  ILE   5          HD13      ILE   5  14.180  10.306   0.144
   30    HA   PRO   6           HA       PRO   6  10.877   3.832  -0.697
   31    HB2  PRO   6           HB2      PRO   6  11.094   2.054  -2.796
   32    HB3  PRO   6           HB1      PRO   6  10.141   3.547  -2.826
   33    HG2  PRO   6           HG2      PRO   6  12.693   2.940  -4.121
   34    HG3  PRO   6           HG1      PRO   6  11.495   4.175  -4.503
   35    HD2  PRO   6           HD2      PRO   6  13.951   4.593  -3.213
   36    HD3  PRO   6           HD1      PRO   6  12.630   5.759  -3.376
   37    H    DAL   7           HN       DAL   7  13.017   3.492   0.821
   38    HA   DAL   7           HA       DAL   7  13.290   0.609   0.957
   39    HB1  DAL   7           HB2      DAL   7  14.826   1.825   2.970
   40    HB2  DAL   7           HB3      DAL   7  13.269   1.036   3.145
   41    H    LEU   8           HN       LEU   8  14.835   2.760  -0.871
   42    HA   LEU   8           HA       LEU   8  17.128   1.121  -1.224
   43    HB2  LEU   8           HB2      LEU   8  16.920   4.036  -2.017
   44    HB3  LEU   8           HB1      LEU   8  17.898   2.775  -2.771
   45    HG   LEU   8           HG       LEU   8  14.901   3.087  -2.818
   46   HD11  LEU   8          HD11      LEU   8  17.116   3.429  -4.700
   47   HD12  LEU   8          HD12      LEU   8  15.458   4.016  -4.802
   48   HD13  LEU   8          HD13      LEU   8  15.846   2.382  -5.330
   49   HD21  LEU   8          HD21      LEU   8  16.590   0.636  -3.273
   50   HD22  LEU   8          HD22      LEU   8  15.061   0.844  -4.129
   51   HD23  LEU   8          HD23      LEU   8  15.084   0.790  -2.367
   52    H    MET   9           HN       MET   9  16.346   3.864   0.740
   53    HA   MET   9           HA       MET   9  18.975   4.565   1.566
   54    HB2  MET   9           HB2      MET   9  16.387   4.934   3.091
   55    HB3  MET   9           HB1      MET   9  17.871   5.871   3.269
   56    HG2  MET   9           HG2      MET   9  17.604   6.474   0.788
   57    HG3  MET   9           HG1      MET   9  15.973   5.816   0.918
   58    HE1  MET   9           HE1      MET   9  14.937   7.254   4.145
   59    HE2  MET   9           HE2      MET   9  14.668   6.106   2.836
   60    HE3  MET   9           HE3      MET   9  13.890   7.686   2.788
   61    H    DBB  10           HN       DBB  10  16.490   2.370   2.786
   62    HA   DBB  10           HA       DBB  10  18.501   1.129   4.565
   63    HB2  DBB  10           HB2      DBB  10  17.365  -0.134   2.596
   64    HG1  DBB  10           HG1      DBB  10  15.125  -0.058   2.676
   65    HG2  DBB  10           HG2      DBB  10  15.091   0.361   4.377
   66    HG3  DBB  10           HG3      DBB  10  15.273  -1.313   3.887
   67    H    GLY  11           HN       GLY  11  15.364   2.566   4.398
   68    HA2  GLY  11           HA2      GLY  11  14.494   1.605   6.962
   69    HA3  GLY  11           HA1      GLY  11  15.075   3.260   6.978
   70    H    CYS  12           HN       CYS  12  12.819   1.104   5.282
   71    HA   CYS  12           HA       CYS  12  10.791   3.199   5.290
   72    HB2  CYS  12           HB2      CYS  12  11.198   1.939   2.637
   73    HB3  CYS  12           HB1      CYS  12  10.655   3.564   3.037
   74    H    GLY  13           HN       GLY  13   9.181   1.975   3.316
   75    HA2  GLY  13           HA2      GLY  13   8.496  -0.607   4.606
   76    HA3  GLY  13           HA1      GLY  13   7.282   0.556   4.087
   77    H    TRP  14           HN       TRP  14   9.784   0.677   1.964
   78    HA   TRP  14           HA       TRP  14   8.450  -0.109  -0.286
   79    HB2  TRP  14           HB2      TRP  14  10.558  -0.165  -1.366
   80    HB3  TRP  14           HB1      TRP  14  10.758   0.974  -0.041
   81    HD1  TRP  14           HD1      TRP  14  10.875  -1.396   2.199
   82    HE1  TRP  14           HE1      TRP  14  13.104  -2.666   2.481
   83    HE3  TRP  14           HE3      TRP  14  13.045  -0.360  -2.296
   84    HZ2  TRP  14           HZ2      TRP  14  15.492  -3.172   0.986
   85    HZ3  TRP  14           HZ3      TRP  14  15.292  -1.243  -2.845
   86    HH2  TRP  14           HH2      TRP  14  16.518  -2.646  -1.211
   87    H    LEU  15           HN       LEU  15   9.382  -2.080  -1.683
   88    HA   LEU  15           HA       LEU  15   8.161  -4.366  -1.172
   89    HB2  LEU  15           HB2      LEU  15  10.109  -5.608  -2.209
   90    HB3  LEU  15           HB1      LEU  15   9.529  -4.218  -3.128
   91    HG   LEU  15           HG       LEU  15  11.759  -3.935  -1.121
   92   HD11  LEU  15          HD11      LEU  15  13.344  -4.699  -2.572
   93   HD12  LEU  15          HD12      LEU  15  12.455  -4.148  -3.993
   94   HD13  LEU  15          HD13      LEU  15  12.007  -5.660  -3.201
   95   HD21  LEU  15          HD21      LEU  15  11.123  -1.814  -1.738
   96   HD22  LEU  15          HD22      LEU  15  10.510  -2.328  -3.303
   97   HD23  LEU  15          HD23      LEU  15  12.243  -2.142  -3.054
   98    H    DBU  16           HN       DHB  16  11.087  -3.345   0.545
   99    HB   DBU  16           HB       DHB  16  12.633  -5.926   3.194
  100    HG1  DBU  16           HG1      DHB  16  13.943  -6.788   1.438
  101    HG2  DBU  16           HG2      DHB  16  13.593  -5.331   0.507
  102    HG3  DBU  16           HG3      DHB  16  12.518  -6.726   0.401
  103    H    GLY  17           HN       GLY  17  11.900  -2.823   3.553
  104    HA2  GLY  17           HA2      GLY  17  10.074  -1.589   4.788
  105    HA3  GLY  17           HA1      GLY  17   9.568  -3.181   5.338
  106    H    LEU  18           HN       LEU  18  11.962  -4.384   5.948
  107    HA   LEU  18           HA       LEU  18  12.831  -2.774   8.258
  108    HB2  LEU  18           HB2      LEU  18  13.111  -5.742   7.723
  109    HB3  LEU  18           HB1      LEU  18  13.633  -4.914   9.189
  110    HG   LEU  18           HG       LEU  18  10.786  -5.009   8.145
  111   HD11  LEU  18          HD11      LEU  18  11.576  -6.169  10.770
  112   HD12  LEU  18          HD12      LEU  18  12.068  -7.062   9.332
  113   HD13  LEU  18          HD13      LEU  18  10.363  -6.720   9.616
  114   HD21  LEU  18          HD21      LEU  18  12.173  -3.421  10.214
  115   HD22  LEU  18          HD22      LEU  18  10.692  -4.205  10.765
  116   HD23  LEU  18          HD23      LEU  18  10.648  -3.105   9.388
  117    H    CYS  19           HN       CYS  19  13.793  -3.334   5.195
  118    HA   CYS  19           HA       CYS  19  15.764  -3.071   4.057
  119    HB2  CYS  19           HB2      CYS  19  15.927  -1.125   5.756
  120    HB3  CYS  19           HB1      CYS  19  17.067  -2.156   6.610
  121    H    VAL  20           HN       VAL  20  16.159  -5.192   3.631
  122    HA   VAL  20           HA       VAL  20  17.936  -6.624   5.509
  123    HB   VAL  20           HB       VAL  20  17.134  -8.645   4.095
  124   HG11  VAL  20          HG11      VAL  20  15.151  -7.175   5.861
  125   HG12  VAL  20          HG12      VAL  20  16.497  -8.140   6.464
  126   HG13  VAL  20          HG13      VAL  20  15.196  -8.912   5.558
  127   HG21  VAL  20          HG21      VAL  20  15.025  -6.553   3.459
  128   HG22  VAL  20          HG22      VAL  20  14.850  -8.280   3.150
  129   HG23  VAL  20          HG23      VAL  20  16.084  -7.353   2.296
  130    H    ARG  21           HN       ARG  21  18.022  -4.830   2.765
  131    HA   ARG  21           HA       ARG  21  19.229  -5.784   0.670
  132    HB2  ARG  21           HB2      ARG  21  20.903  -3.984   0.677
  133    HB3  ARG  21           HB1      ARG  21  19.339  -3.387   1.241
  134    HG2  ARG  21           HG2      ARG  21  20.058  -3.584   3.564
  135    HG3  ARG  21           HG1      ARG  21  21.587  -4.302   3.061
  136    HD2  ARG  21           HD2      ARG  21  21.935  -1.939   3.541
  137    HD3  ARG  21           HD1      ARG  21  22.117  -2.214   1.811
  138    HE   ARG  21           HE       ARG  21  19.432  -1.507   2.389
  139   HH11  ARG  21          HH11      ARG  21  22.647  -0.232   2.280
  140   HH12  ARG  21          HH12      ARG  21  22.143   1.381   1.904
  141   HH21  ARG  21          HH21      ARG  21  18.764   0.605   1.893
  142   HH22  ARG  21          HH22      ARG  21  19.945   1.854   1.685
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1   4.200   4.258  -6.709
    2    H2   ALA   1           HT2      ALA   1   5.368   4.121  -5.483
    3    H3   ALA   1           HT3      ALA   1   5.847   4.413  -7.087
    4    HA   ALA   1           HA       ALA   1   4.193   6.479  -6.664
    5    HB1  ALA   1           HB1      ALA   1   5.721   5.962  -4.095
    6    HB2  ALA   1           HB2      ALA   1   3.972   5.821  -4.281
    7    HB3  ALA   1           HB3      ALA   1   4.754   7.392  -4.457
    8    H    GLY   2           HN       GLY   2   7.277   6.224  -4.944
    9    HA2  GLY   2           HA2      GLY   2   8.600   7.604  -7.202
   10    HA3  GLY   2           HA1      GLY   2   8.816   8.147  -5.541
   11    H    GLY   3           HN       GLY   3  10.712   7.016  -7.610
   12    HA2  GLY   3           HA2      GLY   3  11.599   4.524  -6.363
   13    HA3  GLY   3           HA1      GLY   3  12.266   5.254  -7.817
   14    H    DBU   4           HN       DHB   4  12.613   4.868  -4.444
   15    HB   DBU   4           HB       DHB   4  16.193   6.437  -3.201
   16    HG1  DBU   4           HG1      DHB   4  17.077   4.673  -4.750
   17    HG2  DBU   4           HG2      DHB   4  16.816   6.125  -5.715
   18    HG3  DBU   4           HG3      DHB   4  15.639   4.812  -5.760
   19    H    ILE   5           HN       ILE   5  14.473   5.517  -1.443
   20    HA   ILE   5           HA       ILE   5  14.020   6.916   0.429
   21    HB   ILE   5           HB       ILE   5  11.771   8.049  -1.217
   22   HG12  ILE   5          HG12      ILE   5  14.170   8.651  -1.894
   23   HG13  ILE   5          HG11      ILE   5  13.150  10.011  -1.443
   24   HG21  ILE   5          HG21      ILE   5  11.125   8.211   1.043
   25   HG22  ILE   5          HG22      ILE   5  11.917   9.757   0.732
   26   HG23  ILE   5          HG23      ILE   5  12.781   8.479   1.587
   27   HD11  ILE   5          HD11      ILE   5  15.599   9.639  -0.400
   28   HD12  ILE   5          HD12      ILE   5  14.656   8.682   0.744
   29   HD13  ILE   5          HD13      ILE   5  14.289  10.392   0.511
   30    HA   PRO   6           HA       PRO   6   9.823   4.606   0.667
   31    HB2  PRO   6           HB2      PRO   6   9.794   2.434  -1.108
   32    HB3  PRO   6           HB1      PRO   6   8.847   3.916  -1.257
   33    HG2  PRO   6           HG2      PRO   6  11.128   3.043  -2.798
   34    HG3  PRO   6           HG1      PRO   6  10.028   4.388  -3.094
   35    HD2  PRO   6           HD2      PRO   6  12.704   4.539  -2.151
   36    HD3  PRO   6           HD1      PRO   6  11.552   5.863  -2.377
   37    H    DAL   7           HN       DAL   7  12.993   3.700   0.388
   38    HA   DAL   7           HA       DAL   7  12.683   1.109   1.722
   39    HB1  DAL   7           HB2      DAL   7  14.673   2.891   2.973
   40    HB2  DAL   7           HB3      DAL   7  13.601   1.704   3.703
   41    H    LEU   8           HN       LEU   8  14.341   3.127  -0.453
   42    HA   LEU   8           HA       LEU   8  16.272   1.040  -0.988
   43    HB2  LEU   8           HB2      LEU   8  16.240   3.840  -2.140
   44    HB3  LEU   8           HB1      LEU   8  17.014   2.409  -2.818
   45    HG   LEU   8           HG       LEU   8  14.042   2.924  -2.539
   46   HD11  LEU   8          HD11      LEU   8  14.435   3.817  -4.585
   47   HD12  LEU   8          HD12      LEU   8  14.584   2.144  -5.119
   48   HD13  LEU   8          HD13      LEU   8  16.026   3.069  -4.707
   49   HD21  LEU   8          HD21      LEU   8  15.390   0.432  -2.388
   50   HD22  LEU   8          HD22      LEU   8  14.694   0.531  -4.003
   51   HD23  LEU   8          HD23      LEU   8  13.661   0.710  -2.585
   52    H    MET   9           HN       MET   9  16.062   3.937   0.823
   53    HA   MET   9           HA       MET   9  18.857   4.469   1.122
   54    HB2  MET   9           HB2      MET   9  16.862   5.265   3.203
   55    HB3  MET   9           HB1      MET   9  18.204   6.190   2.530
   56    HG2  MET   9           HG2      MET   9  15.604   5.529   1.105
   57    HG3  MET   9           HG1      MET   9  16.078   7.099   1.734
   58    HE1  MET   9           HE1      MET   9  18.862   8.367  -0.409
   59    HE2  MET   9           HE2      MET   9  19.118   7.445   1.070
   60    HE3  MET   9           HE3      MET   9  17.766   8.569   0.965
   61    H    DBB  10           HN       DBB  10  16.396   2.923   3.162
   62    HA   DBB  10           HA       DBB  10  18.555   1.652   4.730
   63    HB2  DBB  10           HB2      DBB  10  17.551  -0.446   4.539
   64    HG1  DBB  10           HG1      DBB  10  17.078   1.144   2.039
   65    HG2  DBB  10           HG2      DBB  10  16.649  -0.562   2.115
   66    HG3  DBB  10           HG3      DBB  10  18.322  -0.060   2.367
   67    H    GLY  11           HN       GLY  11  15.082   2.470   4.693
   68    HA2  GLY  11           HA2      GLY  11  14.640   2.086   7.461
   69    HA3  GLY  11           HA1      GLY  11  15.049   3.773   7.164
   70    H    CYS  12           HN       CYS  12  12.998   1.258   5.652
   71    HA   CYS  12           HA       CYS  12  10.663   2.990   5.888
   72    HB2  CYS  12           HB2      CYS  12  11.234   1.880   3.190
   73    HB3  CYS  12           HB1      CYS  12  10.228   3.254   3.618
   74    H    GLY  13           HN       GLY  13   9.383   1.503   3.725
   75    HA2  GLY  13           HA2      GLY  13   9.179  -1.222   4.816
   76    HA3  GLY  13           HA1      GLY  13   7.725  -0.251   4.574
   77    H    TRP  14           HN       TRP  14  10.347   0.266   2.439
   78    HA   TRP  14           HA       TRP  14   9.074   0.009   0.053
   79    HB2  TRP  14           HB2      TRP  14  11.273  -0.402  -0.965
   80    HB3  TRP  14           HB1      TRP  14  11.430   0.780   0.324
   81    HD1  TRP  14           HD1      TRP  14  10.926  -1.975   2.314
   82    HE1  TRP  14           HE1      TRP  14  13.084  -3.224   2.992
   83    HE3  TRP  14           HE3      TRP  14  14.130  -0.138  -1.178
   84    HZ2  TRP  14           HZ2      TRP  14  15.809  -3.413   2.142
   85    HZ3  TRP  14           HZ3      TRP  14  16.494  -0.862  -1.244
   86    HH2  TRP  14           HH2      TRP  14  17.341  -2.494   0.415
   87    H    LEU  15           HN       LEU  15   9.751  -1.812  -1.642
   88    HA   LEU  15           HA       LEU  15   8.228  -3.969  -1.524
   89    HB2  LEU  15           HB2      LEU  15   9.933  -5.254  -2.798
   90    HB3  LEU  15           HB1      LEU  15   9.760  -3.600  -3.387
   91    HG   LEU  15           HG       LEU  15  11.850  -4.432  -1.363
   92   HD11  LEU  15          HD11      LEU  15  12.048  -4.154  -4.370
   93   HD12  LEU  15          HD12      LEU  15  12.312  -5.617  -3.422
   94   HD13  LEU  15          HD13      LEU  15  13.437  -4.266  -3.291
   95   HD21  LEU  15          HD21      LEU  15  11.705  -2.144  -1.172
   96   HD22  LEU  15          HD22      LEU  15  11.115  -1.920  -2.813
   97   HD23  LEU  15          HD23      LEU  15  12.829  -2.231  -2.523
   98    H    DBU  16           HN       DHB  16  11.241  -3.642   0.314
   99    HB   DBU  16           HB       DHB  16  12.671  -6.459   2.606
  100    HG1  DBU  16           HG1      DHB  16  14.048  -5.217   0.508
  101    HG2  DBU  16           HG2      DHB  16  12.900  -6.228  -0.370
  102    HG3  DBU  16           HG3      DHB  16  14.042  -6.963   0.755
  103    H    GLY  17           HN       GLY  17  11.011  -3.286   3.238
  104    HA2  GLY  17           HA2      GLY  17   8.794  -3.029   4.452
  105    HA3  GLY  17           HA1      GLY  17   9.069  -4.694   4.957
  106    H    LEU  18           HN       LEU  18  11.565  -4.886   5.728
  107    HA   LEU  18           HA       LEU  18  11.783  -2.951   7.939
  108    HB2  LEU  18           HB2      LEU  18  12.958  -5.714   7.563
  109    HB3  LEU  18           HB1      LEU  18  13.297  -4.672   8.945
  110    HG   LEU  18           HG       LEU  18  10.493  -5.470   8.126
  111   HD11  LEU  18          HD11      LEU  18  10.585  -7.102   9.964
  112   HD12  LEU  18          HD12      LEU  18  12.271  -6.682  10.264
  113   HD13  LEU  18          HD13      LEU  18  11.815  -7.469   8.754
  114   HD21  LEU  18          HD21      LEU  18  11.746  -4.072  10.490
  115   HD22  LEU  18          HD22      LEU  18  10.171  -4.854  10.622
  116   HD23  LEU  18          HD23      LEU  18  10.403  -3.532   9.479
  117    H    CYS  19           HN       CYS  19  12.965  -3.343   4.917
  118    HA   CYS  19           HA       CYS  19  14.686  -2.277   3.813
  119    HB2  CYS  19           HB2      CYS  19  14.705  -1.005   6.380
  120    HB3  CYS  19           HB1      CYS  19  16.369  -1.310   5.881
  121    H    VAL  20           HN       VAL  20  15.319  -4.424   3.268
  122    HA   VAL  20           HA       VAL  20  17.041  -6.031   4.813
  123    HB   VAL  20           HB       VAL  20  16.677  -5.871   1.812
  124   HG11  VAL  20          HG11      VAL  20  17.716  -8.065   1.732
  125   HG12  VAL  20          HG12      VAL  20  17.875  -8.097   3.487
  126   HG13  VAL  20          HG13      VAL  20  18.821  -6.952   2.536
  127   HG21  VAL  20          HG21      VAL  20  14.636  -6.418   3.125
  128   HG22  VAL  20          HG22      VAL  20  15.507  -7.745   3.896
  129   HG23  VAL  20          HG23      VAL  20  15.184  -7.790   2.162
  130    H    ARG  21           HN       ARG  21  17.709  -3.645   2.265
  131    HA   ARG  21           HA       ARG  21  20.549  -3.978   2.371
  132    HB2  ARG  21           HB2      ARG  21  18.782  -1.810   1.222
  133    HB3  ARG  21           HB1      ARG  21  20.539  -1.809   1.070
  134    HG2  ARG  21           HG2      ARG  21  20.460  -3.996  -0.049
  135    HG3  ARG  21           HG1      ARG  21  18.706  -4.036   0.131
  136    HD2  ARG  21           HD2      ARG  21  18.523  -1.984  -1.234
  137    HD3  ARG  21           HD1      ARG  21  20.275  -1.962  -1.426
  138    HE   ARG  21           HE       ARG  21  19.345  -4.469  -2.284
  139   HH11  ARG  21          HH11      ARG  21  19.142  -1.115  -3.110
  140   HH12  ARG  21          HH12      ARG  21  18.925  -1.404  -4.804
  141   HH21  ARG  21          HH21      ARG  21  19.051  -4.855  -4.501
  142   HH22  ARG  21          HH22      ARG  21  18.874  -3.522  -5.592
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1   7.600   4.214  -4.981
    2    H2   ALA   1           HT2      ALA   1   7.987   3.616  -6.524
    3    H3   ALA   1           HT3      ALA   1   9.043   4.686  -5.733
    4    HA   ALA   1           HA       ALA   1   9.415   3.026  -3.991
    5    HB1  ALA   1           HB1      ALA   1   8.251   1.071  -3.920
    6    HB2  ALA   1           HB2      ALA   1   8.303   0.866  -5.671
    7    HB3  ALA   1           HB3      ALA   1   7.093   1.923  -4.941
    8    H    GLY   2           HN       GLY   2  11.462   2.342  -4.223
    9    HA2  GLY   2           HA2      GLY   2  13.344   1.394  -5.209
   10    HA3  GLY   2           HA1      GLY   2  12.410   1.134  -6.678
   11    H    GLY   3           HN       GLY   3  12.150   4.295  -5.452
   12    HA2  GLY   3           HA2      GLY   3  13.925   5.280  -7.591
   13    HA3  GLY   3           HA1      GLY   3  12.597   6.182  -6.870
   14    H    DBU   4           HN       DHB   4  14.049   4.708  -4.325
   15    HB   DBU   4           HB       DHB   4  17.299   6.433  -2.602
   16    HG1  DBU   4           HG1      DHB   4  17.144   4.916  -5.264
   17    HG2  DBU   4           HG2      DHB   4  18.153   4.390  -3.916
   18    HG3  DBU   4           HG3      DHB   4  18.492   5.920  -4.728
   19    H    ILE   5           HN       ILE   5  15.187   5.543  -1.081
   20    HA   ILE   5           HA       ILE   5  14.554   7.095   0.645
   21    HB   ILE   5           HB       ILE   5  12.619   8.141  -1.414
   22   HG12  ILE   5          HG12      ILE   5  15.100   8.782  -1.581
   23   HG13  ILE   5          HG11      ILE   5  13.965  10.123  -1.430
   24   HG21  ILE   5          HG21      ILE   5  12.210   9.868   0.420
   25   HG22  ILE   5          HG22      ILE   5  13.046   8.769   1.516
   26   HG23  ILE   5          HG23      ILE   5  11.554   8.261   0.722
   27   HD11  ILE   5          HD11      ILE   5  16.141   9.444   0.294
   28   HD12  ILE   5          HD12      ILE   5  14.643   9.266   1.203
   29   HD13  ILE   5          HD13      ILE   5  15.026  10.801   0.427
   30    HA   PRO   6           HA       PRO   6  10.354   4.878   0.503
   31    HB2  PRO   6           HB2      PRO   6  10.022   3.045  -1.517
   32    HB3  PRO   6           HB1      PRO   6   9.472   4.723  -1.598
   33    HG2  PRO   6           HG2      PRO   6  11.715   3.435  -2.952
   34    HG3  PRO   6           HG1      PRO   6  10.861   4.925  -3.349
   35    HD2  PRO   6           HD2      PRO   6  13.402   4.699  -2.117
   36    HD3  PRO   6           HD1      PRO   6  12.460   6.171  -2.398
   37    H    DAL   7           HN       DAL   7  13.428   3.620   0.074
   38    HA   DAL   7           HA       DAL   7  12.871   0.882   0.770
   39    HB1  DAL   7           HB2      DAL   7  14.521   1.880   2.888
   40    HB2  DAL   7           HB3      DAL   7  13.012   0.984   2.997
   41    H    LEU   8           HN       LEU   8  14.654   2.939  -0.890
   42    HA   LEU   8           HA       LEU   8  16.819   1.121  -1.225
   43    HB2  LEU   8           HB2      LEU   8  16.826   4.041  -2.019
   44    HB3  LEU   8           HB1      LEU   8  17.733   2.719  -2.751
   45    HG   LEU   8           HG       LEU   8  14.846   3.429  -3.035
   46   HD11  LEU   8          HD11      LEU   8  15.821   2.040  -5.265
   47   HD12  LEU   8          HD12      LEU   8  17.191   2.996  -4.702
   48   HD13  LEU   8          HD13      LEU   8  15.667   3.787  -5.105
   49   HD21  LEU   8          HD21      LEU   8  14.376   1.279  -2.271
   50   HD22  LEU   8          HD22      LEU   8  15.933   0.639  -2.800
   51   HD23  LEU   8          HD23      LEU   8  14.660   0.956  -3.979
   52    H    MET   9           HN       MET   9  16.256   3.970   0.704
   53    HA   MET   9           HA       MET   9  18.910   4.480   1.533
   54    HB2  MET   9           HB2      MET   9  16.386   4.976   3.123
   55    HB3  MET   9           HB1      MET   9  17.915   5.848   3.238
   56    HG2  MET   9           HG2      MET   9  17.600   6.490   0.796
   57    HG3  MET   9           HG1      MET   9  15.968   5.836   0.926
   58    HE1  MET   9           HE1      MET   9  18.018   8.409   3.695
   59    HE2  MET   9           HE2      MET   9  17.891   9.541   2.352
   60    HE3  MET   9           HE3      MET   9  18.604   7.951   2.091
   61    H    DBB  10           HN       DBB  10  16.325   2.423   2.831
   62    HA   DBB  10           HA       DBB  10  18.329   1.155   4.602
   63    HB2  DBB  10           HB2      DBB  10  17.210  -0.112   2.616
   64    HG1  DBB  10           HG1      DBB  10  14.962   0.204   4.527
   65    HG2  DBB  10           HG2      DBB  10  15.153  -1.354   3.751
   66    HG3  DBB  10           HG3      DBB  10  14.951   0.085   2.775
   67    H    GLY  11           HN       GLY  11  15.098   2.441   4.370
   68    HA2  GLY  11           HA2      GLY  11  14.286   1.552   6.973
   69    HA3  GLY  11           HA1      GLY  11  14.802   3.227   6.939
   70    H    CYS  12           HN       CYS  12  12.559   0.929   5.438
   71    HA   CYS  12           HA       CYS  12  10.452   2.926   5.413
   72    HB2  CYS  12           HB2      CYS  12  10.945   1.710   2.763
   73    HB3  CYS  12           HB1      CYS  12  10.253   3.278   3.157
   74    H    GLY  13           HN       GLY  13   8.994   1.645   3.322
   75    HA2  GLY  13           HA2      GLY  13   8.466  -1.051   4.410
   76    HA3  GLY  13           HA1      GLY  13   7.155   0.092   4.148
   77    H    TRP  14           HN       TRP  14   9.716   0.348   1.941
   78    HA   TRP  14           HA       TRP  14   8.263   0.065  -0.350
   79    HB2  TRP  14           HB2      TRP  14  10.406  -0.432  -1.488
   80    HB3  TRP  14           HB1      TRP  14  10.533   0.909  -0.382
   81    HD1  TRP  14           HD1      TRP  14  10.590  -1.209   2.198
   82    HE1  TRP  14           HE1      TRP  14  12.849  -2.324   2.724
   83    HE3  TRP  14           HE3      TRP  14  12.967  -0.516  -2.264
   84    HZ2  TRP  14           HZ2      TRP  14  15.338  -2.857   1.421
   85    HZ3  TRP  14           HZ3      TRP  14  15.279  -1.340  -2.596
   86    HH2  TRP  14           HH2      TRP  14  16.467  -2.508  -0.761
   87    H    LEU  15           HN       LEU  15  10.561  -2.298  -0.806
   88    HA   LEU  15           HA       LEU  15   8.510  -4.345  -1.116
   89    HB2  LEU  15           HB2      LEU  15  10.824  -5.461  -2.043
   90    HB3  LEU  15           HB1      LEU  15   9.725  -4.499  -3.031
   91    HG   LEU  15           HG       LEU  15  11.930  -3.210  -1.420
   92   HD11  LEU  15          HD11      LEU  15  12.060  -4.443  -4.171
   93   HD12  LEU  15          HD12      LEU  15  13.140  -4.709  -2.802
   94   HD13  LEU  15          HD13      LEU  15  13.165  -3.167  -3.658
   95   HD21  LEU  15          HD21      LEU  15  10.841  -2.224  -4.038
   96   HD22  LEU  15          HD22      LEU  15  11.481  -1.302  -2.679
   97   HD23  LEU  15          HD23      LEU  15   9.868  -2.007  -2.585
   98    H    DBU  16           HN       DHB  16  11.448  -3.662   0.713
   99    HB   DBU  16           HB       DHB  16  12.941  -6.481   3.104
  100    HG1  DBU  16           HG1      DHB  16  12.977  -6.372   0.067
  101    HG2  DBU  16           HG2      DHB  16  13.941  -7.417   1.113
  102    HG3  DBU  16           HG3      DHB  16  14.379  -5.719   0.915
  103    H    GLY  17           HN       GLY  17  11.663  -3.101   3.438
  104    HA2  GLY  17           HA2      GLY  17   9.692  -2.356   4.767
  105    HA3  GLY  17           HA1      GLY  17   9.586  -4.014   5.342
  106    H    LEU  18           HN       LEU  18  11.982  -4.749   6.106
  107    HA   LEU  18           HA       LEU  18  12.702  -2.789   8.184
  108    HB2  LEU  18           HB2      LEU  18  13.102  -5.784   8.036
  109    HB3  LEU  18           HB1      LEU  18  13.715  -4.764   9.338
  110    HG   LEU  18           HG       LEU  18  10.796  -4.910   8.535
  111   HD11  LEU  18          HD11      LEU  18  11.718  -7.060   9.482
  112   HD12  LEU  18          HD12      LEU  18  10.453  -6.322  10.466
  113   HD13  LEU  18          HD13      LEU  18  12.145  -6.165  10.941
  114   HD21  LEU  18          HD21      LEU  18  11.415  -2.814   9.620
  115   HD22  LEU  18          HD22      LEU  18  12.257  -3.689  10.899
  116   HD23  LEU  18          HD23      LEU  18  10.503  -3.801  10.761
  117    H    CYS  19           HN       CYS  19  13.684  -3.372   5.225
  118    HA   CYS  19           HA       CYS  19  15.636  -3.068   4.066
  119    HB2  CYS  19           HB2      CYS  19  15.781  -1.126   5.762
  120    HB3  CYS  19           HB1      CYS  19  16.931  -2.139   6.623
  121    H    VAL  20           HN       VAL  20  15.831  -5.316   3.794
  122    HA   VAL  20           HA       VAL  20  17.836  -6.615   5.530
  123    HB   VAL  20           HB       VAL  20  16.895  -8.744   4.497
  124   HG11  VAL  20          HG11      VAL  20  16.269  -8.236   6.741
  125   HG12  VAL  20          HG12      VAL  20  14.752  -8.556   5.902
  126   HG13  VAL  20          HG13      VAL  20  15.245  -6.894   6.231
  127   HG21  VAL  20          HG21      VAL  20  14.555  -8.466   3.598
  128   HG22  VAL  20          HG22      VAL  20  15.803  -7.788   2.552
  129   HG23  VAL  20          HG23      VAL  20  14.830  -6.724   3.567
  130    H    ARG  21           HN       ARG  21  17.486  -5.096   2.600
  131    HA   ARG  21           HA       ARG  21  19.045  -6.830   0.929
  132    HB2  ARG  21           HB2      ARG  21  17.464  -5.152   0.013
  133    HB3  ARG  21           HB1      ARG  21  18.503  -3.862   0.624
  134    HG2  ARG  21           HG2      ARG  21  20.377  -4.744  -0.740
  135    HG3  ARG  21           HG1      ARG  21  19.309  -5.991  -1.380
  136    HD2  ARG  21           HD2      ARG  21  17.794  -4.162  -2.212
  137    HD3  ARG  21           HD1      ARG  21  19.021  -2.996  -1.724
  138    HE   ARG  21           HE       ARG  21  20.045  -5.069  -3.453
  139   HH11  ARG  21          HH11      ARG  21  18.431  -2.015  -3.243
  140   HH12  ARG  21          HH12      ARG  21  18.908  -1.497  -4.826
  141   HH21  ARG  21          HH21      ARG  21  20.661  -4.405  -5.536
  142   HH22  ARG  21          HH22      ARG  21  20.170  -2.852  -6.124
  Start of MODEL   11
    1    H1   ALA   1           HT1      ALA   1   8.524   3.439  -7.014
    2    H2   ALA   1           HT2      ALA   1   9.241   4.960  -7.257
    3    H3   ALA   1           HT3      ALA   1  10.083   3.743  -6.424
    4    HA   ALA   1           HA       ALA   1  10.331   2.436  -8.369
    5    HB1  ALA   1           HB1      ALA   1   8.476   2.549  -9.698
    6    HB2  ALA   1           HB2      ALA   1   9.384   3.826 -10.508
    7    HB3  ALA   1           HB3      ALA   1   8.170   4.240  -9.296
    8    H    GLY   2           HN       GLY   2  12.415   3.207  -7.761
    9    HA2  GLY   2           HA2      GLY   2  14.431   4.127  -8.473
   10    HA3  GLY   2           HA1      GLY   2  13.547   5.071  -9.669
   11    H    GLY   3           HN       GLY   3  15.442   6.461  -8.530
   12    HA2  GLY   3           HA2      GLY   3  15.484   8.667  -7.678
   13    HA3  GLY   3           HA1      GLY   3  14.003   8.326  -6.784
   14    H    DBU   4           HN       DHB   4  15.700   5.651  -6.198
   15    HB   DBU   4           HB       DHB   4  18.328   4.869  -3.435
   16    HG1  DBU   4           HG1      DHB   4  19.328   4.850  -5.924
   17    HG2  DBU   4           HG2      DHB   4  17.716   4.288  -6.368
   18    HG3  DBU   4           HG3      DHB   4  18.717   3.326  -5.281
   19    H    ILE   5           HN       ILE   5  15.008   5.112  -2.911
   20    HA   ILE   5           HA       ILE   5  15.485   6.679  -0.642
   21    HB   ILE   5           HB       ILE   5  13.565   7.829  -2.611
   22   HG12  ILE   5          HG12      ILE   5  15.946   8.593  -1.085
   23   HG13  ILE   5          HG11      ILE   5  15.267   9.331  -2.531
   24   HG21  ILE   5          HG21      ILE   5  13.330   8.109   0.405
   25   HG22  ILE   5          HG22      ILE   5  12.203   7.216  -0.617
   26   HG23  ILE   5          HG23      ILE   5  12.356   8.964  -0.794
   27   HD11  ILE   5          HD11      ILE   5  14.563   9.886   0.356
   28   HD12  ILE   5          HD12      ILE   5  13.507  10.376  -0.969
   29   HD13  ILE   5          HD13      ILE   5  15.146  11.020  -0.863
   30    HA   PRO   6           HA       PRO   6  11.230   4.379  -0.347
   31    HB2  PRO   6           HB2      PRO   6  11.336   2.491  -2.584
   32    HB3  PRO   6           HB1      PRO   6  10.027   3.581  -2.087
   33    HG2  PRO   6           HG2      PRO   6  11.491   3.975  -4.327
   34    HG3  PRO   6           HG1      PRO   6  10.752   5.288  -3.399
   35    HD2  PRO   6           HD2      PRO   6  13.607   4.431  -3.488
   36    HD3  PRO   6           HD1      PRO   6  12.923   6.057  -3.299
   37    H    DAL   7           HN       DAL   7  12.776   3.602   1.318
   38    HA   DAL   7           HA       DAL   7  12.919   0.822   1.520
   39    HB1  DAL   7           HB2      DAL   7  15.000   2.326   2.963
   40    HB2  DAL   7           HB3      DAL   7  13.786   1.218   3.579
   41    H    LEU   8           HN       LEU   8  14.826   2.972  -0.307
   42    HA   LEU   8           HA       LEU   8  16.652   0.796  -1.005
   43    HB2  LEU   8           HB2      LEU   8  16.632   3.613  -2.118
   44    HB3  LEU   8           HB1      LEU   8  17.326   2.165  -2.849
   45    HG   LEU   8           HG       LEU   8  14.377   2.642  -2.345
   46   HD11  LEU   8          HD11      LEU   8  15.606   3.920  -4.236
   47   HD12  LEU   8          HD12      LEU   8  14.148   3.024  -4.661
   48   HD13  LEU   8          HD13      LEU   8  15.738   2.347  -5.019
   49   HD21  LEU   8          HD21      LEU   8  13.968   0.500  -3.094
   50   HD22  LEU   8          HD22      LEU   8  15.539   0.233  -2.346
   51   HD23  LEU   8          HD23      LEU   8  15.424   0.456  -4.089
   52    H    MET   9           HN       MET   9  16.438   3.743   0.748
   53    HA   MET   9           HA       MET   9  19.226   4.281   1.056
   54    HB2  MET   9           HB2      MET   9  16.963   5.144   2.868
   55    HB3  MET   9           HB1      MET   9  18.513   5.948   2.622
   56    HG2  MET   9           HG2      MET   9  17.861   6.199   0.176
   57    HG3  MET   9           HG1      MET   9  16.247   5.678   0.654
   58    HE1  MET   9           HE1      MET   9  15.172   6.386   2.585
   59    HE2  MET   9           HE2      MET   9  14.659   8.070   2.665
   60    HE3  MET   9           HE3      MET   9  15.913   7.484   3.755
   61    H    DBB  10           HN       DBB  10  16.775   2.566   2.963
   62    HA   DBB  10           HA       DBB  10  18.933   1.588   4.740
   63    HB2  DBB  10           HB2      DBB  10  18.221  -0.284   3.503
   64    HG1  DBB  10           HG1      DBB  10  16.187   1.006   2.696
   65    HG2  DBB  10           HG2      DBB  10  15.339   0.244   4.034
   66    HG3  DBB  10           HG3      DBB  10  16.082  -0.743   2.785
   67    H    GLY  11           HN       GLY  11  15.364   1.760   4.658
   68    HA2  GLY  11           HA2      GLY  11  14.827   1.658   7.326
   69    HA3  GLY  11           HA1      GLY  11  15.293   3.328   7.051
   70    H    CYS  12           HN       CYS  12  13.193   0.860   5.521
   71    HA   CYS  12           HA       CYS  12  10.880   2.593   5.733
   72    HB2  CYS  12           HB2      CYS  12  11.394   1.769   2.933
   73    HB3  CYS  12           HB1      CYS  12  10.603   3.215   3.550
   74    H    GLY  13           HN       GLY  13   9.418   1.436   3.675
   75    HA2  GLY  13           HA2      GLY  13   9.265  -1.417   4.447
   76    HA3  GLY  13           HA1      GLY  13   7.827  -0.405   4.326
   77    H    TRP  14           HN       TRP  14  10.020   0.617   2.102
   78    HA   TRP  14           HA       TRP  14   8.909   0.564  -0.208
   79    HB2  TRP  14           HB2      TRP  14  11.017  -0.166  -1.307
   80    HB3  TRP  14           HB1      TRP  14  11.283   0.959   0.015
   81    HD1  TRP  14           HD1      TRP  14  10.507  -1.774   1.945
   82    HE1  TRP  14           HE1      TRP  14  12.504  -3.271   2.573
   83    HE3  TRP  14           HE3      TRP  14  13.894  -0.192  -1.514
   84    HZ2  TRP  14           HZ2      TRP  14  15.190  -3.734   1.711
   85    HZ3  TRP  14           HZ3      TRP  14  16.164  -1.179  -1.593
   86    HH2  TRP  14           HH2      TRP  14  16.817  -2.941   0.013
   87    H    LEU  15           HN       LEU  15  10.763  -2.262  -0.697
   88    HA   LEU  15           HA       LEU  15   8.320  -3.760  -1.317
   89    HB2  LEU  15           HB2      LEU  15  10.230  -5.237  -2.454
   90    HB3  LEU  15           HB1      LEU  15   9.560  -3.817  -3.257
   91    HG   LEU  15           HG       LEU  15  11.949  -3.605  -1.425
   92   HD11  LEU  15          HD11      LEU  15  12.081  -5.227  -3.552
   93   HD12  LEU  15          HD12      LEU  15  13.425  -4.184  -3.090
   94   HD13  LEU  15          HD13      LEU  15  12.328  -3.690  -4.380
   95   HD21  LEU  15          HD21      LEU  15  12.058  -1.446  -2.147
   96   HD22  LEU  15          HD22      LEU  15  10.369  -1.689  -2.589
   97   HD23  LEU  15          HD23      LEU  15  11.633  -1.877  -3.804
   98    H    DBU  16           HN       DHB  16  11.236  -3.785   0.619
   99    HB   DBU  16           HB       DHB  16  12.329  -6.926   2.742
  100    HG1  DBU  16           HG1      DHB  16  13.663  -5.726   0.458
  101    HG2  DBU  16           HG2      DHB  16  12.571  -6.967  -0.161
  102    HG3  DBU  16           HG3      DHB  16  13.826  -7.397   1.001
  103    H    GLY  17           HN       GLY  17  10.753  -3.341   3.168
  104    HA2  GLY  17           HA2      GLY  17   8.558  -3.146   4.439
  105    HA3  GLY  17           HA1      GLY  17   9.009  -4.702   5.132
  106    H    LEU  18           HN       LEU  18  11.643  -4.443   5.708
  107    HA   LEU  18           HA       LEU  18  11.595  -2.396   7.809
  108    HB2  LEU  18           HB2      LEU  18  13.291  -4.856   7.386
  109    HB3  LEU  18           HB1      LEU  18  13.616  -3.670   8.652
  110    HG   LEU  18           HG       LEU  18  10.932  -5.027   8.307
  111   HD11  LEU  18          HD11      LEU  18  13.253  -6.311   9.056
  112   HD12  LEU  18          HD12      LEU  18  11.630  -6.801   9.540
  113   HD13  LEU  18          HD13      LEU  18  12.600  -5.787  10.608
  114   HD21  LEU  18          HD21      LEU  18  10.959  -2.868   9.523
  115   HD22  LEU  18          HD22      LEU  18  12.197  -3.503  10.608
  116   HD23  LEU  18          HD23      LEU  18  10.581  -4.208  10.606
  117    H    CYS  19           HN       CYS  19  13.975  -3.696   5.468
  118    HA   CYS  19           HA       CYS  19  14.788  -1.534   4.145
  119    HB2  CYS  19           HB2      CYS  19  15.259  -0.035   5.814
  120    HB3  CYS  19           HB1      CYS  19  15.575  -1.300   6.994
  121    H    VAL  20           HN       VAL  20  16.128  -2.411   2.697
  122    HA   VAL  20           HA       VAL  20  18.200  -4.290   3.628
  123    HB   VAL  20           HB       VAL  20  16.553  -4.620   1.110
  124   HG11  VAL  20          HG11      VAL  20  19.075  -5.663   1.962
  125   HG12  VAL  20          HG12      VAL  20  18.165  -6.069   0.508
  126   HG13  VAL  20          HG13      VAL  20  17.904  -6.980   1.996
  127   HG21  VAL  20          HG21      VAL  20  15.012  -5.628   2.411
  128   HG22  VAL  20          HG22      VAL  20  15.983  -5.308   3.847
  129   HG23  VAL  20          HG23      VAL  20  16.240  -6.787   2.923
  130    H    ARG  21           HN       ARG  21  19.336  -2.126   3.504
  131    HA   ARG  21           HA       ARG  21  21.084  -1.011   2.480
  132    HB2  ARG  21           HB2      ARG  21  21.007  -3.298   1.024
  133    HB3  ARG  21           HB1      ARG  21  20.597  -2.114  -0.220
  134    HG2  ARG  21           HG2      ARG  21  23.010  -2.339  -0.168
  135    HG3  ARG  21           HG1      ARG  21  22.593  -0.764   0.510
  136    HD2  ARG  21           HD2      ARG  21  22.773  -1.682   2.786
  137    HD3  ARG  21           HD1      ARG  21  23.161  -3.267   2.123
  138    HE   ARG  21           HE       ARG  21  25.097  -1.777   1.030
  139   HH11  ARG  21          HH11      ARG  21  23.783  -1.862   4.230
  140   HH12  ARG  21          HH12      ARG  21  25.263  -1.397   4.999
  141   HH21  ARG  21          HH21      ARG  21  27.042  -1.166   2.033
  142   HH22  ARG  21          HH22      ARG  21  27.109  -1.003   3.755
  Start of MODEL   12
    1    H1   ALA   1           HT1      ALA   1   9.226   0.238  -7.802
    2    H2   ALA   1           HT2      ALA   1  10.472   0.740  -6.761
    3    H3   ALA   1           HT3      ALA   1  10.778   0.531  -8.419
    4    HA   ALA   1           HA       ALA   1   8.969   2.305  -8.751
    5    HB1  ALA   1           HB1      ALA   1   9.809   3.598  -6.289
    6    HB2  ALA   1           HB2      ALA   1   8.980   2.079  -5.950
    7    HB3  ALA   1           HB3      ALA   1   8.178   3.329  -6.902
    8    H    GLY   2           HN       GLY   2  11.978   2.309  -6.828
    9    HA2  GLY   2           HA2      GLY   2  14.088   3.074  -7.426
   10    HA3  GLY   2           HA1      GLY   2  13.438   3.561  -8.989
   11    H    GLY   3           HN       GLY   3  11.610   4.644  -6.324
   12    HA2  GLY   3           HA2      GLY   3  12.007   7.382  -6.915
   13    HA3  GLY   3           HA1      GLY   3  11.206   6.749  -5.481
   14    H    DBU   4           HN       DHB   4  13.451   5.213  -4.521
   15    HB   DBU   4           HB       DHB   4  17.012   6.388  -3.117
   16    HG1  DBU   4           HG1      DHB   4  17.532   4.630  -4.818
   17    HG2  DBU   4           HG2      DHB   4  17.545   6.201  -5.619
   18    HG3  DBU   4           HG3      DHB   4  16.146   5.141  -5.781
   19    H    ILE   5           HN       ILE   5  14.098   5.231  -1.583
   20    HA   ILE   5           HA       ILE   5  14.518   6.793   0.523
   21    HB   ILE   5           HB       ILE   5  12.566   8.157  -1.239
   22   HG12  ILE   5          HG12      ILE   5  15.041   8.747  -0.330
   23   HG13  ILE   5          HG11      ILE   5  13.855   9.978  -0.740
   24   HG21  ILE   5          HG21      ILE   5  12.289   7.929   1.767
   25   HG22  ILE   5          HG22      ILE   5  11.055   7.624   0.542
   26   HG23  ILE   5          HG23      ILE   5  11.603   9.272   0.851
   27   HD11  ILE   5          HD11      ILE   5  15.096  10.068   1.582
   28   HD12  ILE   5          HD12      ILE   5  13.903   8.852   2.044
   29   HD13  ILE   5          HD13      ILE   5  13.374  10.444   1.498
   30    HA   PRO   6           HA       PRO   6  10.196   4.719   1.047
   31    HB2  PRO   6           HB2      PRO   6   9.976   2.948  -1.278
   32    HB3  PRO   6           HB1      PRO   6   8.806   4.116  -0.639
   33    HG2  PRO   6           HG2      PRO   6  10.159   4.484  -2.957
   34    HG3  PRO   6           HG1      PRO   6   9.586   5.811  -1.934
   35    HD2  PRO   6           HD2      PRO   6  12.358   4.730  -2.226
   36    HD3  PRO   6           HD1      PRO   6  11.816   6.388  -1.943
   37    H    DAL   7           HN       DAL   7  13.196   3.563   0.320
   38    HA   DAL   7           HA       DAL   7  12.730   0.795   1.129
   39    HB1  DAL   7           HB2      DAL   7  14.762   2.124   2.792
   40    HB2  DAL   7           HB3      DAL   7  13.552   0.926   3.239
   41    H    LEU   8           HN       LEU   8  14.717   3.261  -0.244
   42    HA   LEU   8           HA       LEU   8  16.621   1.221  -1.164
   43    HB2  LEU   8           HB2      LEU   8  16.591   4.131  -1.984
   44    HB3  LEU   8           HB1      LEU   8  17.244   2.754  -2.866
   45    HG   LEU   8           HG       LEU   8  14.381   3.627  -2.563
   46   HD11  LEU   8          HD11      LEU   8  14.767   2.520  -5.053
   47   HD12  LEU   8          HD12      LEU   8  16.367   3.171  -4.692
   48   HD13  LEU   8          HD13      LEU   8  14.959   4.232  -4.677
   49   HD21  LEU   8          HD21      LEU   8  15.416   0.817  -2.790
   50   HD22  LEU   8          HD22      LEU   8  13.944   1.258  -3.656
   51   HD23  LEU   8          HD23      LEU   8  14.019   1.424  -1.902
   52    H    MET   9           HN       MET   9  16.165   3.929   0.881
   53    HA   MET   9           HA       MET   9  18.869   4.651   1.379
   54    HB2  MET   9           HB2      MET   9  16.458   5.005   3.175
   55    HB3  MET   9           HB1      MET   9  17.940   5.956   3.195
   56    HG2  MET   9           HG2      MET   9  17.448   6.627   0.813
   57    HG3  MET   9           HG1      MET   9  15.882   5.834   0.989
   58    HE1  MET   9           HE1      MET   9  17.455   9.454   3.323
   59    HE2  MET   9           HE2      MET   9  18.067   8.926   1.757
   60    HE3  MET   9           HE3      MET   9  18.256   7.884   3.166
   61    H    DBB  10           HN       DBB  10  16.571   2.427   2.895
   62    HA   DBB  10           HA       DBB  10  18.802   1.354   4.509
   63    HB2  DBB  10           HB2      DBB  10  17.994  -0.231   2.851
   64    HG1  DBB  10           HG1      DBB  10  15.773   0.623   2.517
   65    HG2  DBB  10           HG2      DBB  10  15.306   0.143   4.144
   66    HG3  DBB  10           HG3      DBB  10  15.691  -1.081   2.942
   67    H    GLY  11           HN       GLY  11  15.270   1.805   4.480
   68    HA2  GLY  11           HA2      GLY  11  14.820   1.202   7.173
   69    HA3  GLY  11           HA1      GLY  11  15.218   2.907   7.052
   70    H    CYS  12           HN       CYS  12  13.133   0.494   5.461
   71    HA   CYS  12           HA       CYS  12  10.798   2.195   5.811
   72    HB2  CYS  12           HB2      CYS  12  11.234   1.334   3.010
   73    HB3  CYS  12           HB1      CYS  12  10.364   2.735   3.625
   74    H    GLY  13           HN       GLY  13   9.413   0.942   3.642
   75    HA2  GLY  13           HA2      GLY  13   9.315  -1.892   4.419
   76    HA3  GLY  13           HA1      GLY  13   7.841  -0.926   4.436
   77    H    TRP  14           HN       TRP  14  10.140   0.009   2.134
   78    HA   TRP  14           HA       TRP  14   8.720   0.067  -0.095
   79    HB2  TRP  14           HB2      TRP  14  10.790  -0.426  -1.374
   80    HB3  TRP  14           HB1      TRP  14  11.041   0.709  -0.070
   81    HD1  TRP  14           HD1      TRP  14  10.797  -2.090   1.936
   82    HE1  TRP  14           HE1      TRP  14  13.024  -3.315   2.338
   83    HE3  TRP  14           HE3      TRP  14  13.550  -0.188  -1.913
   84    HZ2  TRP  14           HZ2      TRP  14  15.635  -3.470   1.178
   85    HZ3  TRP  14           HZ3      TRP  14  15.908  -0.885  -2.241
   86    HH2  TRP  14           HH2      TRP  14  16.951  -2.526  -0.703
   87    H    LEU  15           HN       LEU  15  10.818  -2.564  -0.743
   88    HA   LEU  15           HA       LEU  15   8.492  -4.328  -1.117
   89    HB2  LEU  15           HB2      LEU  15  10.030  -5.339  -2.931
   90    HB3  LEU  15           HB1      LEU  15   9.262  -3.786  -3.272
   91    HG   LEU  15           HG       LEU  15  12.001  -3.953  -2.014
   92   HD11  LEU  15          HD11      LEU  15  11.190  -4.129  -4.904
   93   HD12  LEU  15          HD12      LEU  15  12.386  -5.084  -4.027
   94   HD13  LEU  15          HD13      LEU  15  12.731  -3.406  -4.444
   95   HD21  LEU  15          HD21      LEU  15  11.456  -1.735  -3.802
   96   HD22  LEU  15          HD22      LEU  15  11.896  -1.705  -2.095
   97   HD23  LEU  15          HD23      LEU  15  10.203  -1.854  -2.567
   98    H    DBU  16           HN       DHB  16  10.755  -3.925   1.048
   99    HB   DBU  16           HB       DHB  16  13.058  -7.151   2.111
  100    HG1  DBU  16           HG1      DHB  16  14.334  -6.237   0.092
  101    HG2  DBU  16           HG2      DHB  16  12.787  -5.924  -0.696
  102    HG3  DBU  16           HG3      DHB  16  13.297  -7.584  -0.383
  103    H    GLY  17           HN       GLY  17  11.095  -3.774   3.135
  104    HA2  GLY  17           HA2      GLY  17   9.616  -3.578   4.980
  105    HA3  GLY  17           HA1      GLY  17   9.620  -5.328   5.150
  106    H    LEU  18           HN       LEU  18  10.802  -2.479   6.411
  107    HA   LEU  18           HA       LEU  18  12.345  -1.979   8.041
  108    HB2  LEU  18           HB2      LEU  18  12.172  -4.975   8.420
  109    HB3  LEU  18           HB1      LEU  18  13.075  -3.906   9.494
  110    HG   LEU  18           HG       LEU  18  10.145  -3.503   8.850
  111   HD11  LEU  18          HD11      LEU  18  11.411  -4.895  11.231
  112   HD12  LEU  18          HD12      LEU  18  10.461  -5.678   9.967
  113   HD13  LEU  18          HD13      LEU  18   9.696  -4.521  11.056
  114   HD21  LEU  18          HD21      LEU  18  10.632  -2.405  11.298
  115   HD22  LEU  18          HD22      LEU  18  10.741  -1.502   9.789
  116   HD23  LEU  18          HD23      LEU  18  12.198  -2.169  10.525
  117    H    CYS  19           HN       CYS  19  13.492  -1.700   5.751
  118    HA   CYS  19           HA       CYS  19  15.318  -2.301   4.347
  119    HB2  CYS  19           HB2      CYS  19  15.836  -0.345   5.800
  120    HB3  CYS  19           HB1      CYS  19  16.566  -1.446   6.964
  121    H    VAL  20           HN       VAL  20  15.391  -4.539   3.997
  122    HA   VAL  20           HA       VAL  20  17.035  -6.069   5.920
  123    HB   VAL  20           HB       VAL  20  16.006  -8.086   4.917
  124   HG11  VAL  20          HG11      VAL  20  14.899  -7.392   6.869
  125   HG12  VAL  20          HG12      VAL  20  13.590  -7.468   5.689
  126   HG13  VAL  20          HG13      VAL  20  14.303  -5.912   6.115
  127   HG21  VAL  20          HG21      VAL  20  14.746  -7.995   3.035
  128   HG22  VAL  20          HG22      VAL  20  15.380  -6.362   2.832
  129   HG23  VAL  20          HG23      VAL  20  13.827  -6.612   3.628
  130    H    ARG  21           HN       ARG  21  17.168  -4.514   2.985
  131    HA   ARG  21           HA       ARG  21  18.866  -6.426   1.609
  132    HB2  ARG  21           HB2      ARG  21  17.329  -4.937   0.354
  133    HB3  ARG  21           HB1      ARG  21  18.244  -3.542   0.924
  134    HG2  ARG  21           HG2      ARG  21  20.283  -4.448  -0.146
  135    HG3  ARG  21           HG1      ARG  21  19.353  -5.825  -0.736
  136    HD2  ARG  21           HD2      ARG  21  17.844  -4.208  -1.930
  137    HD3  ARG  21           HD1      ARG  21  18.938  -2.911  -1.456
  138    HE   ARG  21           HE       ARG  21  20.430  -4.938  -2.735
  139   HH11  ARG  21          HH11      ARG  21  18.018  -2.534  -3.370
  140   HH12  ARG  21          HH12      ARG  21  18.488  -2.305  -5.021
  141   HH21  ARG  21          HH21      ARG  21  21.041  -4.646  -4.897
  142   HH22  ARG  21          HH22      ARG  21  20.199  -3.500  -5.885
  Start of MODEL   13
    1    H1   ALA   1           HT1      ALA   1   9.305  -0.254  -9.514
    2    H2   ALA   1           HT2      ALA   1  10.963  -0.357  -9.870
    3    H3   ALA   1           HT3      ALA   1  10.052   0.964 -10.427
    4    HA   ALA   1           HA       ALA   1  10.226   2.073  -8.517
    5    HB1  ALA   1           HB1      ALA   1  10.170  -0.474  -6.900
    6    HB2  ALA   1           HB2      ALA   1   8.690   0.220  -7.562
    7    HB3  ALA   1           HB3      ALA   1   9.662   1.144  -6.417
    8    H    GLY   2           HN       GLY   2  11.701   1.520  -6.215
    9    HA2  GLY   2           HA2      GLY   2  13.845   1.148  -5.407
   10    HA3  GLY   2           HA1      GLY   2  14.219   0.284  -6.896
   11    H    GLY   3           HN       GLY   3  12.822   3.397  -7.252
   12    HA2  GLY   3           HA2      GLY   3  15.021   4.423  -8.714
   13    HA3  GLY   3           HA1      GLY   3  13.638   5.356  -8.147
   14    H    DBU   4           HN       DHB   4  14.014   4.739  -5.343
   15    HB   DBU   4           HB       DHB   4  17.280   6.296  -3.305
   16    HG1  DBU   4           HG1      DHB   4  17.600   4.610  -5.850
   17    HG2  DBU   4           HG2      DHB   4  18.677   4.589  -4.452
   18    HG3  DBU   4           HG3      DHB   4  18.618   6.009  -5.497
   19    H    ILE   5           HN       ILE   5  15.372   5.362  -1.959
   20    HA   ILE   5           HA       ILE   5  14.497   6.895  -0.321
   21    HB   ILE   5           HB       ILE   5  12.504   7.598  -2.470
   22   HG12  ILE   5          HG12      ILE   5  14.933   8.481  -2.613
   23   HG13  ILE   5          HG11      ILE   5  13.640   9.678  -2.658
   24   HG21  ILE   5          HG21      ILE   5  11.852   9.368  -0.776
   25   HG22  ILE   5          HG22      ILE   5  12.827   8.488   0.403
   26   HG23  ILE   5          HG23      ILE   5  11.422   7.716  -0.331
   27   HD11  ILE   5          HD11      ILE   5  14.594   8.962   0.048
   28   HD12  ILE   5          HD12      ILE   5  14.199  10.544  -0.624
   29   HD13  ILE   5          HD13      ILE   5  15.768   9.810  -0.958
   30    HA   PRO   6           HA       PRO   6  10.329   4.391  -0.728
   31    HB2  PRO   6           HB2      PRO   6  11.419   2.162  -2.360
   32    HB3  PRO   6           HB1      PRO   6   9.821   2.930  -2.425
   33    HG2  PRO   6           HG2      PRO   6  11.655   3.388  -4.316
   34    HG3  PRO   6           HG1      PRO   6  10.532   4.644  -3.772
   35    HD2  PRO   6           HD2      PRO   6  13.436   4.337  -3.154
   36    HD3  PRO   6           HD1      PRO   6  12.468   5.815  -3.349
   37    H    DAL   7           HN       DAL   7  13.433   2.744  -1.059
   38    HA   DAL   7           HA       DAL   7  13.180   0.621   0.597
   39    HB1  DAL   7           HB2      DAL   7  13.075   3.139   2.071
   40    HB2  DAL   7           HB3      DAL   7  14.211   1.960   2.718
   41    H    LEU   8           HN       LEU   8  15.016   2.683  -1.157
   42    HA   LEU   8           HA       LEU   8  17.337   1.063  -0.981
   43    HB2  LEU   8           HB2      LEU   8  17.248   3.882  -2.060
   44    HB3  LEU   8           HB1      LEU   8  18.306   2.560  -2.555
   45    HG   LEU   8           HG       LEU   8  15.359   2.902  -3.076
   46   HD11  LEU   8          HD11      LEU   8  16.623   1.896  -5.318
   47   HD12  LEU   8          HD12      LEU   8  17.858   2.932  -4.610
   48   HD13  LEU   8          HD13      LEU   8  16.278   3.599  -5.024
   49   HD21  LEU   8          HD21      LEU   8  15.726   0.500  -4.131
   50   HD22  LEU   8          HD22      LEU   8  15.300   0.665  -2.427
   51   HD23  LEU   8          HD23      LEU   8  16.977   0.379  -2.892
   52    H    MET   9           HN       MET   9  16.274   3.959   0.605
   53    HA   MET   9           HA       MET   9  18.722   4.914   1.596
   54    HB2  MET   9           HB2      MET   9  16.033   5.051   2.976
   55    HB3  MET   9           HB1      MET   9  17.389   6.166   3.163
   56    HG2  MET   9           HG2      MET   9  17.183   6.710   0.708
   57    HG3  MET   9           HG1      MET   9  15.720   5.730   0.670
   58    HE1  MET   9           HE1      MET   9  17.601   8.052   2.775
   59    HE2  MET   9           HE2      MET   9  16.471   9.209   3.474
   60    HE3  MET   9           HE3      MET   9  17.066   9.452   1.834
   61    H    DBB  10           HN       DBB  10  16.435   2.509   2.853
   62    HA   DBB  10           HA       DBB  10  18.561   1.580   4.664
   63    HB2  DBB  10           HB2      DBB  10  17.477   0.098   2.870
   64    HG1  DBB  10           HG1      DBB  10  15.262   0.266   4.883
   65    HG2  DBB  10           HG2      DBB  10  15.425  -1.082   3.764
   66    HG3  DBB  10           HG3      DBB  10  15.200   0.547   3.147
   67    H    GLY  11           HN       GLY  11  15.092   2.352   4.599
   68    HA2  GLY  11           HA2      GLY  11  14.647   1.738   7.336
   69    HA3  GLY  11           HA1      GLY  11  15.060   3.433   7.145
   70    H    CYS  12           HN       CYS  12  13.030   1.089   5.391
   71    HA   CYS  12           HA       CYS  12  10.705   2.874   5.719
   72    HB2  CYS  12           HB2      CYS  12  10.212   2.681   3.325
   73    HB3  CYS  12           HB1      CYS  12  11.810   3.385   3.550
   74    H    GLY  13           HN       GLY  13   9.103   1.502   3.911
   75    HA2  GLY  13           HA2      GLY  13   8.933  -1.235   5.006
   76    HA3  GLY  13           HA1      GLY  13   7.507  -0.218   4.786
   77    H    TRP  14           HN       TRP  14   9.905   0.313   2.504
   78    HA   TRP  14           HA       TRP  14   8.495  -0.109   0.231
   79    HB2  TRP  14           HB2      TRP  14  10.559  -0.129  -0.938
   80    HB3  TRP  14           HB1      TRP  14  10.887   0.777   0.529
   81    HD1  TRP  14           HD1      TRP  14  10.886  -1.951   2.335
   82    HE1  TRP  14           HE1      TRP  14  13.039  -3.373   2.341
   83    HE3  TRP  14           HE3      TRP  14  13.039  -0.258  -1.952
   84    HZ2  TRP  14           HZ2      TRP  14  15.378  -3.732   0.722
   85    HZ3  TRP  14           HZ3      TRP  14  15.224  -1.146  -2.704
   86    HH2  TRP  14           HH2      TRP  14  16.397  -2.876  -1.375
   87    H    LEU  15           HN       LEU  15   9.095  -1.882  -1.468
   88    HA   LEU  15           HA       LEU  15   7.786  -4.158  -1.168
   89    HB2  LEU  15           HB2      LEU  15   9.489  -5.305  -2.617
   90    HB3  LEU  15           HB1      LEU  15   8.986  -3.721  -3.214
   91    HG   LEU  15           HG       LEU  15  11.403  -4.051  -1.435
   92   HD11  LEU  15          HD11      LEU  15  12.759  -3.988  -3.516
   93   HD12  LEU  15          HD12      LEU  15  11.277  -4.132  -4.463
   94   HD13  LEU  15          HD13      LEU  15  11.779  -5.449  -3.403
   95   HD21  LEU  15          HD21      LEU  15  11.928  -1.920  -2.935
   96   HD22  LEU  15          HD22      LEU  15  10.888  -1.797  -1.521
   97   HD23  LEU  15          HD23      LEU  15  10.174  -1.902  -3.124
   98    H    DBU  16           HN       DHB  16  10.928  -3.536   0.323
   99    HB   DBU  16           HB       DHB  16  12.744  -6.366   2.412
  100    HG1  DBU  16           HG1      DHB  16  14.210  -5.478   0.477
  101    HG2  DBU  16           HG2      DHB  16  12.770  -5.523  -0.543
  102    HG3  DBU  16           HG3      DHB  16  13.449  -7.023   0.094
  103    H    GLY  17           HN       GLY  17  11.116  -3.250   3.282
  104    HA2  GLY  17           HA2      GLY  17   9.031  -3.054   4.726
  105    HA3  GLY  17           HA1      GLY  17   9.347  -4.740   5.131
  106    H    LEU  18           HN       LEU  18  11.918  -4.948   5.580
  107    HA   LEU  18           HA       LEU  18  12.646  -2.846   7.524
  108    HB2  LEU  18           HB2      LEU  18  12.773  -5.849   7.910
  109    HB3  LEU  18           HB1      LEU  18  13.544  -4.679   8.983
  110    HG   LEU  18           HG       LEU  18  10.590  -4.612   8.325
  111   HD11  LEU  18          HD11      LEU  18  10.169  -6.173   9.902
  112   HD12  LEU  18          HD12      LEU  18  11.320  -5.450  11.026
  113   HD13  LEU  18          HD13      LEU  18  11.880  -6.590   9.802
  114   HD21  LEU  18          HD21      LEU  18  11.254  -2.502   9.143
  115   HD22  LEU  18          HD22      LEU  18  12.423  -3.204  10.263
  116   HD23  LEU  18          HD23      LEU  18  10.696  -3.338  10.593
  117    H    CYS  19           HN       CYS  19  14.335  -1.908   6.495
  118    HA   CYS  19           HA       CYS  19  15.978  -2.651   4.565
  119    HB2  CYS  19           HB2      CYS  19  16.186  -0.625   6.199
  120    HB3  CYS  19           HB1      CYS  19  17.350  -1.650   7.036
  121    H    VAL  20           HN       VAL  20  16.218  -4.849   4.335
  122    HA   VAL  20           HA       VAL  20  17.903  -6.224   6.329
  123    HB   VAL  20           HB       VAL  20  17.084  -8.290   4.996
  124   HG11  VAL  20          HG11      VAL  20  14.653  -7.635   6.183
  125   HG12  VAL  20          HG12      VAL  20  15.821  -6.647   7.060
  126   HG13  VAL  20          HG13      VAL  20  16.022  -8.397   6.993
  127   HG21  VAL  20          HG21      VAL  20  14.939  -6.283   4.221
  128   HG22  VAL  20          HG22      VAL  20  15.001  -7.991   3.787
  129   HG23  VAL  20          HG23      VAL  20  16.181  -6.868   3.113
  130    H    ARG  21           HN       ARG  21  18.122  -4.617   3.457
  131    HA   ARG  21           HA       ARG  21  19.967  -6.388   2.097
  132    HB2  ARG  21           HB2      ARG  21  18.478  -4.872   0.831
  133    HB3  ARG  21           HB1      ARG  21  19.297  -3.483   1.551
  134    HG2  ARG  21           HG2      ARG  21  21.441  -4.262   0.580
  135    HG3  ARG  21           HG1      ARG  21  20.594  -5.613  -0.175
  136    HD2  ARG  21           HD2      ARG  21  19.889  -2.708  -0.655
  137    HD3  ARG  21           HD1      ARG  21  20.956  -3.640  -1.702
  138    HE   ARG  21           HE       ARG  21  18.548  -5.069  -1.385
  139   HH11  ARG  21          HH11      ARG  21  19.790  -2.146  -2.755
  140   HH12  ARG  21          HH12      ARG  21  18.611  -2.073  -4.021
  141   HH21  ARG  21          HH21      ARG  21  16.998  -4.984  -3.044
  142   HH22  ARG  21          HH22      ARG  21  17.029  -3.681  -4.185
  Start of MODEL   14
    1    H1   ALA   1           HT1      ALA   1  19.597   1.344  -6.137
    2    H2   ALA   1           HT2      ALA   1  19.321  -0.331  -6.054
    3    H3   ALA   1           HT3      ALA   1  18.025   0.756  -5.896
    4    HA   ALA   1           HA       ALA   1  19.667   0.369  -8.340
    5    HB1  ALA   1           HB1      ALA   1  18.194  -1.539  -7.899
    6    HB2  ALA   1           HB2      ALA   1  17.568  -0.599  -9.255
    7    HB3  ALA   1           HB3      ALA   1  16.826  -0.452  -7.660
    8    H    GLY   2           HN       GLY   2  16.409   1.007  -8.804
    9    HA2  GLY   2           HA2      GLY   2  16.988   3.718  -9.697
   10    HA3  GLY   2           HA1      GLY   2  15.504   2.816  -9.983
   11    H    GLY   3           HN       GLY   3  15.073   5.321  -9.301
   12    HA2  GLY   3           HA2      GLY   3  13.876   6.620  -7.824
   13    HA3  GLY   3           HA1      GLY   3  13.610   5.161  -6.871
   14    H    DBU   4           HN       DHB   4  14.871   4.760  -5.081
   15    HB   DBU   4           HB       DHB   4  18.175   6.002  -3.120
   16    HG1  DBU   4           HG1      DHB   4  18.899   3.936  -4.430
   17    HG2  DBU   4           HG2      DHB   4  19.402   5.424  -5.229
   18    HG3  DBU   4           HG3      DHB   4  17.992   4.543  -5.814
   19    H    ILE   5           HN       ILE   5  15.054   5.087  -2.126
   20    HA   ILE   5           HA       ILE   5  14.991   6.930  -0.256
   21    HB   ILE   5           HB       ILE   5  13.587   8.058  -2.601
   22   HG12  ILE   5          HG12      ILE   5  15.794   8.804  -1.362
   23   HG13  ILE   5          HG11      ILE   5  14.659  10.025  -1.931
   24   HG21  ILE   5          HG21      ILE   5  11.670   7.785  -1.179
   25   HG22  ILE   5          HG22      ILE   5  12.183   9.462  -0.999
   26   HG23  ILE   5          HG23      ILE   5  12.583   8.277   0.248
   27   HD11  ILE   5          HD11      ILE   5  14.070   9.009   0.773
   28   HD12  ILE   5          HD12      ILE   5  14.120  10.669   0.183
   29   HD13  ILE   5          HD13      ILE   5  15.614   9.851   0.644
   30    HA   PRO   6           HA       PRO   6  10.489   5.035  -0.546
   31    HB2  PRO   6           HB2      PRO   6  11.138   2.822  -2.413
   32    HB3  PRO   6           HB1      PRO   6   9.683   3.835  -2.328
   33    HG2  PRO   6           HG2      PRO   6  11.482   4.149  -4.279
   34    HG3  PRO   6           HG1      PRO   6  10.597   5.516  -3.585
   35    HD2  PRO   6           HD2      PRO   6  13.441   4.718  -3.147
   36    HD3  PRO   6           HD1      PRO   6  12.709   6.332  -3.189
   37    H    DAL   7           HN       DAL   7  13.470   3.247  -0.997
   38    HA   DAL   7           HA       DAL   7  12.954   0.920   0.332
   39    HB1  DAL   7           HB2      DAL   7  13.075   3.225   2.110
   40    HB2  DAL   7           HB3      DAL   7  14.081   1.870   2.605
   41    H    LEU   8           HN       LEU   8  14.965   2.764  -1.314
   42    HA   LEU   8           HA       LEU   8  17.133   0.954  -1.145
   43    HB2  LEU   8           HB2      LEU   8  17.319   3.782  -2.187
   44    HB3  LEU   8           HB1      LEU   8  18.218   2.361  -2.719
   45    HG   LEU   8           HG       LEU   8  15.336   3.067  -3.214
   46   HD11  LEU   8          HD11      LEU   8  17.790   2.500  -4.811
   47   HD12  LEU   8          HD12      LEU   8  16.522   3.694  -5.083
   48   HD13  LEU   8          HD13      LEU   8  16.246   2.004  -5.499
   49   HD21  LEU   8          HD21      LEU   8  16.561   0.349  -2.947
   50   HD22  LEU   8          HD22      LEU   8  15.404   0.606  -4.255
   51   HD23  LEU   8          HD23      LEU   8  14.918   0.878  -2.583
   52    H    MET   9           HN       MET   9  16.246   3.785   0.577
   53    HA   MET   9           HA       MET   9  18.752   4.609   1.578
   54    HB2  MET   9           HB2      MET   9  16.052   4.827   2.929
   55    HB3  MET   9           HB1      MET   9  17.456   5.860   3.193
   56    HG2  MET   9           HG2      MET   9  17.358   6.538   0.792
   57    HG3  MET   9           HG1      MET   9  15.883   5.593   0.629
   58    HE1  MET   9           HE1      MET   9  17.817   8.123   2.319
   59    HE2  MET   9           HE2      MET   9  16.895   8.179   3.819
   60    HE3  MET   9           HE3      MET   9  16.744   9.491   2.651
   61    H    DBB  10           HN       DBB  10  16.365   2.254   2.738
   62    HA   DBB  10           HA       DBB  10  18.433   1.163   4.527
   63    HB2  DBB  10           HB2      DBB  10  17.258  -0.239   2.757
   64    HG1  DBB  10           HG1      DBB  10  15.029   0.414   2.942
   65    HG2  DBB  10           HG2      DBB  10  15.009   0.181   4.686
   66    HG3  DBB  10           HG3      DBB  10  15.072  -1.211   3.611
   67    H    GLY  11           HN       GLY  11  15.087   2.296   4.488
   68    HA2  GLY  11           HA2      GLY  11  14.637   1.670   7.248
   69    HA3  GLY  11           HA1      GLY  11  15.082   3.346   6.999
   70    H    CYS  12           HN       CYS  12  13.000   1.044   5.247
   71    HA   CYS  12           HA       CYS  12  10.677   2.791   5.696
   72    HB2  CYS  12           HB2      CYS  12  10.142   2.862   3.338
   73    HB3  CYS  12           HB1      CYS  12  11.792   3.447   3.537
   74    H    GLY  13           HN       GLY  13   9.147   1.482   3.689
   75    HA2  GLY  13           HA2      GLY  13   8.986  -1.288   4.697
   76    HA3  GLY  13           HA1      GLY  13   7.549  -0.293   4.474
   77    H    TRP  14           HN       TRP  14   9.474   0.751   2.149
   78    HA   TRP  14           HA       TRP  14   8.352   0.369  -0.101
   79    HB2  TRP  14           HB2      TRP  14  10.463  -0.116  -1.271
   80    HB3  TRP  14           HB1      TRP  14  10.690   1.074  -0.001
   81    HD1  TRP  14           HD1      TRP  14  10.591  -1.258   2.312
   82    HE1  TRP  14           HE1      TRP  14  12.743  -2.621   2.716
   83    HE3  TRP  14           HE3      TRP  14  12.985  -0.411  -2.102
   84    HZ2  TRP  14           HZ2      TRP  14  15.165  -3.265   1.331
   85    HZ3  TRP  14           HZ3      TRP  14  15.208  -1.408  -2.543
   86    HH2  TRP  14           HH2      TRP  14  16.303  -2.830  -0.833
   87    H    LEU  15           HN       LEU  15  10.519  -2.166  -0.588
   88    HA   LEU  15           HA       LEU  15   8.304  -4.047  -0.953
   89    HB2  LEU  15           HB2      LEU  15  10.412  -5.204  -2.192
   90    HB3  LEU  15           HB1      LEU  15   9.350  -4.040  -2.986
   91    HG   LEU  15           HG       LEU  15  11.752  -3.118  -1.415
   92   HD11  LEU  15          HD11      LEU  15  11.882  -4.778  -3.682
   93   HD12  LEU  15          HD12      LEU  15  13.193  -3.835  -2.973
   94   HD13  LEU  15          HD13      LEU  15  12.211  -3.146  -4.265
   95   HD21  LEU  15          HD21      LEU  15  11.425  -1.081  -2.499
   96   HD22  LEU  15          HD22      LEU  15   9.761  -1.650  -2.386
   97   HD23  LEU  15          HD23      LEU  15  10.652  -1.831  -3.895
   98    H    DBU  16           HN       DHB  16  11.360  -3.546   0.703
   99    HB   DBU  16           HB       DHB  16  13.123  -6.386   2.794
  100    HG1  DBU  16           HG1      DHB  16  13.495  -5.241  -0.017
  101    HG2  DBU  16           HG2      DHB  16  13.587  -6.982   0.250
  102    HG3  DBU  16           HG3      DHB  16  14.749  -5.909   1.030
  103    H    GLY  17           HN       GLY  17  11.338  -3.202   3.490
  104    HA2  GLY  17           HA2      GLY  17   9.215  -3.074   4.857
  105    HA3  GLY  17           HA1      GLY  17   9.601  -4.719   5.344
  106    H    LEU  18           HN       LEU  18  12.083  -4.834   6.065
  107    HA   LEU  18           HA       LEU  18  12.419  -2.696   8.083
  108    HB2  LEU  18           HB2      LEU  18  13.249  -5.605   8.187
  109    HB3  LEU  18           HB1      LEU  18  13.616  -4.405   9.427
  110    HG   LEU  18           HG       LEU  18  10.820  -5.136   8.511
  111   HD11  LEU  18          HD11      LEU  18  12.244  -6.858   9.863
  112   HD12  LEU  18          HD12      LEU  18  10.611  -6.484  10.420
  113   HD13  LEU  18          HD13      LEU  18  12.004  -5.746  11.210
  114   HD21  LEU  18          HD21      LEU  18  10.506  -3.922  10.888
  115   HD22  LEU  18          HD22      LEU  18  10.535  -3.018   9.373
  116   HD23  LEU  18          HD23      LEU  18  11.986  -3.116  10.371
  117    H    CYS  19           HN       CYS  19  13.631  -3.698   5.208
  118    HA   CYS  19           HA       CYS  19  15.519  -2.948   4.087
  119    HB2  CYS  19           HB2      CYS  19  15.626  -1.114   5.845
  120    HB3  CYS  19           HB1      CYS  19  16.684  -2.175   6.765
  121    H    VAL  20           HN       VAL  20  15.620  -5.300   3.817
  122    HA   VAL  20           HA       VAL  20  17.773  -6.556   5.404
  123    HB   VAL  20           HB       VAL  20  16.823  -8.698   4.427
  124   HG11  VAL  20          HG11      VAL  20  15.977  -8.696   6.520
  125   HG12  VAL  20          HG12      VAL  20  14.511  -7.985   5.843
  126   HG13  VAL  20          HG13      VAL  20  15.774  -6.943   6.499
  127   HG21  VAL  20          HG21      VAL  20  15.622  -7.747   2.532
  128   HG22  VAL  20          HG22      VAL  20  14.651  -6.742   3.608
  129   HG23  VAL  20          HG23      VAL  20  14.454  -8.495   3.622
  130    H    ARG  21           HN       ARG  21  17.043  -5.209   2.391
  131    HA   ARG  21           HA       ARG  21  17.913  -5.716   0.225
  132    HB2  ARG  21           HB2      ARG  21  20.171  -4.680   0.205
  133    HB3  ARG  21           HB1      ARG  21  18.996  -3.727   1.111
  134    HG2  ARG  21           HG2      ARG  21  19.811  -4.760   3.217
  135    HG3  ARG  21           HG1      ARG  21  21.024  -5.648   2.293
  136    HD2  ARG  21           HD2      ARG  21  20.782  -2.629   2.328
  137    HD3  ARG  21           HD1      ARG  21  21.908  -3.543   3.327
  138    HE   ARG  21           HE       ARG  21  22.115  -3.073   0.462
  139   HH11  ARG  21          HH11      ARG  21  23.077  -4.922   3.223
  140   HH12  ARG  21          HH12      ARG  21  24.562  -5.463   2.517
  141   HH21  ARG  21          HH21      ARG  21  24.063  -3.777  -0.472
  142   HH22  ARG  21          HH22      ARG  21  25.121  -4.815   0.425
  Start of MODEL   15
    1    H1   ALA   1           HT1      ALA   1  13.711   9.672 -11.147
    2    H2   ALA   1           HT2      ALA   1  13.135  11.181 -10.617
    3    H3   ALA   1           HT3      ALA   1  12.046   9.996 -11.161
    4    HA   ALA   1           HA       ALA   1  13.809   9.468  -8.860
    5    HB1  ALA   1           HB1      ALA   1  12.672  10.885  -7.529
    6    HB2  ALA   1           HB2      ALA   1  11.133  10.216  -8.075
    7    HB3  ALA   1           HB3      ALA   1  11.887  11.539  -8.967
    8    H    GLY   2           HN       GLY   2  11.445   8.587  -7.408
    9    HA2  GLY   2           HA2      GLY   2   9.903   6.841  -7.317
   10    HA3  GLY   2           HA1      GLY   2  10.176   6.543  -9.031
   11    H    GLY   3           HN       GLY   3  13.092   6.827  -7.398
   12    HA2  GLY   3           HA2      GLY   3  13.307   4.118  -6.427
   13    HA3  GLY   3           HA1      GLY   3  14.144   4.379  -7.955
   14    H    DBU   4           HN       DHB   4  14.253   4.798  -4.553
   15    HB   DBU   4           HB       DHB   4  18.038   6.068  -3.536
   16    HG1  DBU   4           HG1      DHB   4  17.346   4.309  -5.966
   17    HG2  DBU   4           HG2      DHB   4  18.647   3.959  -4.826
   18    HG3  DBU   4           HG3      DHB   4  18.758   5.365  -5.888
   19    H    ILE   5           HN       ILE   5  14.899   5.052  -2.042
   20    HA   ILE   5           HA       ILE   5  15.187   6.953  -0.210
   21    HB   ILE   5           HB       ILE   5  13.595   8.060  -2.430
   22   HG12  ILE   5          HG12      ILE   5  15.857   8.819  -1.369
   23   HG13  ILE   5          HG11      ILE   5  14.666  10.048  -1.786
   24   HG21  ILE   5          HG21      ILE   5  11.727   7.870  -0.982
   25   HG22  ILE   5          HG22      ILE   5  12.326   9.505  -0.705
   26   HG23  ILE   5          HG23      ILE   5  12.695   8.223   0.448
   27   HD11  ILE   5          HD11      ILE   5  14.333   8.931   0.919
   28   HD12  ILE   5          HD12      ILE   5  14.325  10.612   0.391
   29   HD13  ILE   5          HD13      ILE   5  15.855   9.787   0.684
   30    HA   PRO   6           HA       PRO   6  10.667   5.151   0.214
   31    HB2  PRO   6           HB2      PRO   6  10.782   3.072  -1.892
   32    HB3  PRO   6           HB1      PRO   6   9.466   4.189  -1.484
   33    HG2  PRO   6           HG2      PRO   6  10.915   4.498  -3.705
   34    HG3  PRO   6           HG1      PRO   6  10.298   5.882  -2.784
   35    HD2  PRO   6           HD2      PRO   6  13.086   4.782  -2.876
   36    HD3  PRO   6           HD1      PRO   6  12.538   6.465  -2.762
   37    H    DAL   7           HN       DAL   7  13.495   3.382  -0.788
   38    HA   DAL   7           HA       DAL   7  13.013   0.927   0.347
   39    HB1  DAL   7           HB2      DAL   7  13.573   3.008   2.294
   40    HB2  DAL   7           HB3      DAL   7  14.637   1.608   2.426
   41    H    LEU   8           HN       LEU   8  15.134   3.171  -1.034
   42    HA   LEU   8           HA       LEU   8  17.072   1.001  -1.339
   43    HB2  LEU   8           HB2      LEU   8  17.258   3.716  -2.642
   44    HB3  LEU   8           HB1      LEU   8  17.948   2.186  -3.181
   45    HG   LEU   8           HG       LEU   8  15.094   3.126  -3.327
   46   HD11  LEU   8          HD11      LEU   8  15.779   3.333  -5.464
   47   HD12  LEU   8          HD12      LEU   8  15.788   1.571  -5.534
   48   HD13  LEU   8          HD13      LEU   8  17.268   2.445  -5.143
   49   HD21  LEU   8          HD21      LEU   8  16.079   0.345  -2.879
   50   HD22  LEU   8          HD22      LEU   8  14.821   0.563  -4.095
   51   HD23  LEU   8          HD23      LEU   8  14.537   1.076  -2.432
   52    H    MET   9           HN       MET   9  16.488   3.460   0.740
   53    HA   MET   9           HA       MET   9  19.331   4.020   1.288
   54    HB2  MET   9           HB2      MET   9  18.054   5.619   3.012
   55    HB3  MET   9           HB1      MET   9  18.354   6.099   1.349
   56    HG2  MET   9           HG2      MET   9  16.115   5.248   0.713
   57    HG3  MET   9           HG1      MET   9  15.813   4.831   2.400
   58    HE1  MET   9           HE1      MET   9  16.822   7.844   4.132
   59    HE2  MET   9           HE2      MET   9  16.259   6.174   4.176
   60    HE3  MET   9           HE3      MET   9  15.100   7.491   4.335
   61    H    DBB  10           HN       DBB  10  16.331   2.779   2.610
   62    HA   DBB  10           HA       DBB  10  17.842   1.691   4.892
   63    HB2  DBB  10           HB2      DBB  10  16.938  -0.388   4.537
   64    HG1  DBB  10           HG1      DBB  10  16.078  -0.637   2.110
   65    HG2  DBB  10           HG2      DBB  10  17.757  -0.182   2.388
   66    HG3  DBB  10           HG3      DBB  10  16.573   1.044   1.948
   67    H    GLY  11           HN       GLY  11  15.717   0.768   6.421
   68    HA2  GLY  11           HA2      GLY  11  14.351   1.545   8.106
   69    HA3  GLY  11           HA1      GLY  11  14.897   3.164   7.698
   70    H    CYS  12           HN       CYS  12  13.195   0.922   5.561
   71    HA   CYS  12           HA       CYS  12  10.795   2.621   5.671
   72    HB2  CYS  12           HB2      CYS  12  10.671   2.660   3.265
   73    HB3  CYS  12           HB1      CYS  12  12.286   3.206   3.717
   74    H    GLY  13           HN       GLY  13   9.313   1.419   3.802
   75    HA2  GLY  13           HA2      GLY  13   9.194  -1.433   4.567
   76    HA3  GLY  13           HA1      GLY  13   7.748  -0.436   4.433
   77    H    TRP  14           HN       TRP  14   9.920   0.634   2.234
   78    HA   TRP  14           HA       TRP  14   8.821   0.569  -0.073
   79    HB2  TRP  14           HB2      TRP  14  10.921  -0.106  -1.206
   80    HB3  TRP  14           HB1      TRP  14  11.193   1.024   0.114
   81    HD1  TRP  14           HD1      TRP  14  10.634  -1.636   2.176
   82    HE1  TRP  14           HE1      TRP  14  12.703  -3.105   2.669
   83    HE3  TRP  14           HE3      TRP  14  13.656  -0.208  -1.650
   84    HZ2  TRP  14           HZ2      TRP  14  15.309  -3.594   1.548
   85    HZ3  TRP  14           HZ3      TRP  14  15.903  -1.187  -1.947
   86    HH2  TRP  14           HH2      TRP  14  16.741  -2.874  -0.344
   87    H    LEU  15           HN       LEU  15  10.737  -2.153  -0.670
   88    HA   LEU  15           HA       LEU  15   8.342  -3.728  -1.277
   89    HB2  LEU  15           HB2      LEU  15  10.297  -5.096  -2.478
   90    HB3  LEU  15           HB1      LEU  15   9.562  -3.679  -3.231
   91    HG   LEU  15           HG       LEU  15  11.949  -3.406  -1.407
   92   HD11  LEU  15          HD11      LEU  15  13.423  -4.035  -3.020
   93   HD12  LEU  15          HD12      LEU  15  12.429  -3.380  -4.322
   94   HD13  LEU  15          HD13      LEU  15  12.059  -4.965  -3.643
   95   HD21  LEU  15          HD21      LEU  15  12.017  -1.238  -2.159
   96   HD22  LEU  15          HD22      LEU  15  10.309  -1.525  -2.498
   97   HD23  LEU  15          HD23      LEU  15  11.503  -1.678  -3.787
   98    H    DBU  16           HN       DHB  16  11.234  -3.633   0.665
   99    HB   DBU  16           HB       DHB  16  12.529  -6.742   2.716
  100    HG1  DBU  16           HG1      DHB  16  14.315  -6.047   1.048
  101    HG2  DBU  16           HG2      DHB  16  13.048  -5.722  -0.136
  102    HG3  DBU  16           HG3      DHB  16  13.353  -7.375   0.399
  103    H    GLY  17           HN       GLY  17  10.699  -3.271   3.206
  104    HA2  GLY  17           HA2      GLY  17   8.514  -3.136   4.433
  105    HA3  GLY  17           HA1      GLY  17   8.857  -4.773   4.982
  106    H    LEU  18           HN       LEU  18  11.198  -4.928   5.959
  107    HA   LEU  18           HA       LEU  18  11.309  -2.903   8.078
  108    HB2  LEU  18           HB2      LEU  18  11.275  -5.285   8.730
  109    HB3  LEU  18           HB1      LEU  18  12.760  -5.549   7.814
  110    HG   LEU  18           HG       LEU  18  13.958  -3.964   9.239
  111   HD11  LEU  18          HD11      LEU  18  12.726  -3.100  11.293
  112   HD12  LEU  18          HD12      LEU  18  11.231  -3.609  10.506
  113   HD13  LEU  18          HD13      LEU  18  12.243  -2.371   9.762
  114   HD21  LEU  18          HD21      LEU  18  13.105  -5.252  11.535
  115   HD22  LEU  18          HD22      LEU  18  14.291  -5.887  10.396
  116   HD23  LEU  18          HD23      LEU  18  12.598  -6.358  10.259
  117    H    CYS  19           HN       CYS  19  12.612  -3.400   5.101
  118    HA   CYS  19           HA       CYS  19  14.314  -2.338   3.976
  119    HB2  CYS  19           HB2      CYS  19  14.032  -0.793   6.361
  120    HB3  CYS  19           HB1      CYS  19  15.752  -1.001   6.031
  121    H    VAL  20           HN       VAL  20  14.899  -4.718   4.082
  122    HA   VAL  20           HA       VAL  20  16.904  -5.669   5.824
  123    HB   VAL  20           HB       VAL  20  16.461  -6.576   2.977
  124   HG11  VAL  20          HG11      VAL  20  16.851  -8.785   4.511
  125   HG12  VAL  20          HG12      VAL  20  17.814  -7.608   5.404
  126   HG13  VAL  20          HG13      VAL  20  18.160  -7.920   3.704
  127   HG21  VAL  20          HG21      VAL  20  14.693  -8.028   3.847
  128   HG22  VAL  20          HG22      VAL  20  14.292  -6.346   4.195
  129   HG23  VAL  20          HG23      VAL  20  14.930  -7.382   5.471
  130    H    ARG  21           HN       ARG  21  17.071  -4.187   2.600
  131    HA   ARG  21           HA       ARG  21  19.887  -4.404   2.310
  132    HB2  ARG  21           HB2      ARG  21  18.338  -4.004   0.417
  133    HB3  ARG  21           HB1      ARG  21  18.004  -2.392   1.053
  134    HG2  ARG  21           HG2      ARG  21  20.407  -1.829   0.865
  135    HG3  ARG  21           HG1      ARG  21  20.721  -3.428   0.191
  136    HD2  ARG  21           HD2      ARG  21  18.798  -1.427  -1.024
  137    HD3  ARG  21           HD1      ARG  21  20.468  -1.628  -1.547
  138    HE   ARG  21           HE       ARG  21  19.217  -4.150  -1.602
  139   HH11  ARG  21          HH11      ARG  21  19.088  -1.052  -3.140
  140   HH12  ARG  21          HH12      ARG  21  18.526  -1.674  -4.656
  141   HH21  ARG  21          HH21      ARG  21  18.478  -4.973  -3.587
  142   HH22  ARG  21          HH22      ARG  21  18.179  -3.893  -4.907
  Start of MODEL   16
    1    H1   ALA   1           HT1      ALA   1  21.331   0.747  -1.680
    2    H2   ALA   1           HT2      ALA   1  21.646   0.841  -3.348
    3    H3   ALA   1           HT3      ALA   1  21.178   2.230  -2.489
    4    HA   ALA   1           HA       ALA   1  23.371   1.395  -1.127
    5    HB1  ALA   1           HB1      ALA   1  23.671  -0.195  -3.127
    6    HB2  ALA   1           HB2      ALA   1  25.051   0.821  -2.709
    7    HB3  ALA   1           HB3      ALA   1  24.022   1.251  -4.075
    8    H    GLY   2           HN       GLY   2  22.382   3.088  -4.095
    9    HA2  GLY   2           HA2      GLY   2  24.133   5.291  -3.843
   10    HA3  GLY   2           HA1      GLY   2  22.633   5.275  -4.768
   11    H    GLY   3           HN       GLY   3  20.903   4.662  -2.567
   12    HA2  GLY   3           HA2      GLY   3  20.365   5.648  -0.388
   13    HA3  GLY   3           HA1      GLY   3  21.145   7.125  -0.945
   14    H    DBU   4           HN       DHB   4  18.339   5.026  -1.359
   15    HB   DBU   4           HB       DHB   4  15.351   6.459  -3.564
   16    HG1  DBU   4           HG1      DHB   4  17.442   4.461  -4.285
   17    HG2  DBU   4           HG2      DHB   4  17.878   6.039  -4.937
   18    HG3  DBU   4           HG3      DHB   4  16.377   5.264  -5.439
   19    H    ILE   5           HN       ILE   5  14.636   5.648  -1.446
   20    HA   ILE   5           HA       ILE   5  14.602   7.266   0.918
   21    HB   ILE   5           HB       ILE   5  12.668   8.031  -1.278
   22   HG12  ILE   5          HG12      ILE   5  15.045   8.841  -1.665
   23   HG13  ILE   5          HG11      ILE   5  13.859  10.125  -1.455
   24   HG21  ILE   5          HG21      ILE   5  13.089   8.789   1.598
   25   HG22  ILE   5          HG22      ILE   5  11.584   8.426   0.753
   26   HG23  ILE   5          HG23      ILE   5  12.399   9.966   0.479
   27   HD11  ILE   5          HD11      ILE   5  15.018   9.220   1.082
   28   HD12  ILE   5          HD12      ILE   5  14.817  10.859   0.459
   29   HD13  ILE   5          HD13      ILE   5  16.214   9.895  -0.025
   30    HA   PRO   6           HA       PRO   6  10.460   4.886   0.404
   31    HB2  PRO   6           HB2      PRO   6  10.853   3.077  -1.872
   32    HB3  PRO   6           HB1      PRO   6   9.534   4.220  -1.563
   33    HG2  PRO   6           HG2      PRO   6  11.357   4.602  -3.502
   34    HG3  PRO   6           HG1      PRO   6  10.593   5.942  -2.624
   35    HD2  PRO   6           HD2      PRO   6  13.320   4.740  -2.225
   36    HD3  PRO   6           HD1      PRO   6  12.834   6.441  -2.216
   37    H    DAL   7           HN       DAL   7  13.597   3.623  -0.019
   38    HA   DAL   7           HA       DAL   7  13.014   0.934   0.820
   39    HB1  DAL   7           HB2      DAL   7  14.731   1.976   2.860
   40    HB2  DAL   7           HB3      DAL   7  13.196   1.134   3.036
   41    H    LEU   8           HN       LEU   8  14.754   2.859  -0.994
   42    HA   LEU   8           HA       LEU   8  16.893   1.019  -1.309
   43    HB2  LEU   8           HB2      LEU   8  16.851   3.898  -2.257
   44    HB3  LEU   8           HB1      LEU   8  17.740   2.547  -2.960
   45    HG   LEU   8           HG       LEU   8  14.802   3.156  -3.083
   46   HD11  LEU   8          HD11      LEU   8  15.546   3.644  -5.162
   47   HD12  LEU   8          HD12      LEU   8  15.607   1.900  -5.402
   48   HD13  LEU   8          HD13      LEU   8  17.059   2.773  -4.916
   49   HD21  LEU   8          HD21      LEU   8  14.505   0.981  -2.328
   50   HD22  LEU   8          HD22      LEU   8  16.066   0.439  -2.941
   51   HD23  LEU   8          HD23      LEU   8  14.718   0.685  -4.052
   52    H    MET   9           HN       MET   9  16.416   3.932   0.537
   53    HA   MET   9           HA       MET   9  19.096   4.468   1.272
   54    HB2  MET   9           HB2      MET   9  16.576   5.002   2.863
   55    HB3  MET   9           HB1      MET   9  18.118   5.843   3.022
   56    HG2  MET   9           HG2      MET   9  17.756   6.310   0.447
   57    HG3  MET   9           HG1      MET   9  16.066   5.999   0.851
   58    HE1  MET   9           HE1      MET   9  15.749   7.996   4.048
   59    HE2  MET   9           HE2      MET   9  15.328   6.572   3.102
   60    HE3  MET   9           HE3      MET   9  14.609   8.129   2.700
   61    H    DBB  10           HN       DBB  10  16.543   2.467   2.739
   62    HA   DBB  10           HA       DBB  10  18.606   1.238   4.470
   63    HB2  DBB  10           HB2      DBB  10  17.437  -0.119   2.601
   64    HG1  DBB  10           HG1      DBB  10  15.325  -1.219   3.768
   65    HG2  DBB  10           HG2      DBB  10  15.178   0.204   2.756
   66    HG3  DBB  10           HG3      DBB  10  15.204   0.369   4.499
   67    H    GLY  11           HN       GLY  11  15.404   2.575   4.288
   68    HA2  GLY  11           HA2      GLY  11  14.654   1.816   6.951
   69    HA3  GLY  11           HA1      GLY  11  15.199   3.478   6.819
   70    H    CYS  12           HN       CYS  12  12.882   1.156   5.474
   71    HA   CYS  12           HA       CYS  12  10.779   3.148   5.468
   72    HB2  CYS  12           HB2      CYS  12  11.151   1.919   2.821
   73    HB3  CYS  12           HB1      CYS  12  10.520   3.507   3.226
   74    H    GLY  13           HN       GLY  13   9.241   1.860   3.455
   75    HA2  GLY  13           HA2      GLY  13   8.785  -0.841   4.549
   76    HA3  GLY  13           HA1      GLY  13   7.457   0.292   4.362
   77    H    TRP  14           HN       TRP  14   9.961   0.448   2.046
   78    HA   TRP  14           HA       TRP  14   8.428   0.231  -0.200
   79    HB2  TRP  14           HB2      TRP  14  10.514  -0.387  -1.386
   80    HB3  TRP  14           HB1      TRP  14  10.742   0.950  -0.286
   81    HD1  TRP  14           HD1      TRP  14  10.617  -1.379   2.207
   82    HE1  TRP  14           HE1      TRP  14  12.854  -2.535   2.744
   83    HE3  TRP  14           HE3      TRP  14  13.196  -0.337  -2.072
   84    HZ2  TRP  14           HZ2      TRP  14  15.400  -2.967   1.521
   85    HZ3  TRP  14           HZ3      TRP  14  15.522  -1.139  -2.362
   86    HH2  TRP  14           HH2      TRP  14  16.628  -2.452  -0.573
   87    H    LEU  15           HN       LEU  15  10.592  -2.291  -0.635
   88    HA   LEU  15           HA       LEU  15   8.403  -4.217  -0.789
   89    HB2  LEU  15           HB2      LEU  15  10.439  -5.495  -1.954
   90    HB3  LEU  15           HB1      LEU  15   9.464  -4.313  -2.825
   91    HG   LEU  15           HG       LEU  15  11.930  -3.487  -1.287
   92   HD11  LEU  15          HD11      LEU  15  12.620  -3.534  -3.980
   93   HD12  LEU  15          HD12      LEU  15  11.755  -5.052  -3.740
   94   HD13  LEU  15          HD13      LEU  15  13.163  -4.673  -2.749
   95   HD21  LEU  15          HD21      LEU  15  11.063  -2.162  -3.810
   96   HD22  LEU  15          HD22      LEU  15  11.664  -1.444  -2.315
   97   HD23  LEU  15          HD23      LEU  15   9.983  -1.964  -2.430
   98    H    DBU  16           HN       DHB  16  11.384  -3.530   0.901
   99    HB   DBU  16           HB       DHB  16  13.088  -6.309   3.181
  100    HG1  DBU  16           HG1      DHB  16  14.737  -5.938   1.398
  101    HG2  DBU  16           HG2      DHB  16  13.497  -5.288   0.327
  102    HG3  DBU  16           HG3      DHB  16  13.556  -7.018   0.659
  103    H    GLY  17           HN       GLY  17  11.167  -3.006   3.514
  104    HA2  GLY  17           HA2      GLY  17   9.317  -2.539   4.974
  105    HA3  GLY  17           HA1      GLY  17   9.202  -4.259   5.320
  106    H    LEU  18           HN       LEU  18  12.246  -4.305   5.502
  107    HA   LEU  18           HA       LEU  18  12.728  -2.777   7.945
  108    HB2  LEU  18           HB2      LEU  18  12.601  -5.782   7.833
  109    HB3  LEU  18           HB1      LEU  18  13.599  -4.950   9.027
  110    HG   LEU  18           HG       LEU  18  11.329  -3.555   9.350
  111   HD11  LEU  18          HD11      LEU  18   9.398  -4.663   8.793
  112   HD12  LEU  18          HD12      LEU  18  10.126  -6.254   9.013
  113   HD13  LEU  18          HD13      LEU  18  10.433  -5.340   7.535
  114   HD21  LEU  18          HD21      LEU  18  11.036  -4.770  11.349
  115   HD22  LEU  18          HD22      LEU  18  12.732  -5.051  10.956
  116   HD23  LEU  18          HD23      LEU  18  11.529  -6.291  10.602
  117    H    CYS  19           HN       CYS  19  13.812  -2.643   5.298
  118    HA   CYS  19           HA       CYS  19  15.801  -2.906   4.101
  119    HB2  CYS  19           HB2      CYS  19  15.969  -0.933   5.783
  120    HB3  CYS  19           HB1      CYS  19  17.061  -1.989   6.674
  121    H    VAL  20           HN       VAL  20  16.203  -5.016   3.696
  122    HA   VAL  20           HA       VAL  20  17.761  -6.506   5.711
  123    HB   VAL  20           HB       VAL  20  16.577  -7.882   3.349
  124   HG11  VAL  20          HG11      VAL  20  17.813  -8.567   5.794
  125   HG12  VAL  20          HG12      VAL  20  17.077  -9.668   4.627
  126   HG13  VAL  20          HG13      VAL  20  16.119  -9.029   5.963
  127   HG21  VAL  20          HG21      VAL  20  14.690  -6.520   3.977
  128   HG22  VAL  20          HG22      VAL  20  15.003  -6.776   5.694
  129   HG23  VAL  20          HG23      VAL  20  14.426  -8.109   4.696
  130    H    ARG  21           HN       ARG  21  17.937  -4.891   2.740
  131    HA   ARG  21           HA       ARG  21  19.556  -6.136   1.026
  132    HB2  ARG  21           HB2      ARG  21  20.658  -4.051   0.521
  133    HB3  ARG  21           HB1      ARG  21  18.991  -3.680   0.967
  134    HG2  ARG  21           HG2      ARG  21  19.746  -3.183   3.283
  135    HG3  ARG  21           HG1      ARG  21  21.411  -3.488   2.787
  136    HD2  ARG  21           HD2      ARG  21  19.605  -1.397   1.545
  137    HD3  ARG  21           HD1      ARG  21  20.829  -1.062   2.764
  138    HE   ARG  21           HE       ARG  21  21.294  -1.659  -0.041
  139   HH11  ARG  21          HH11      ARG  21  22.556  -1.531   3.178
  140   HH12  ARG  21          HH12      ARG  21  24.207  -1.383   2.674
  141   HH21  ARG  21          HH21      ARG  21  23.456  -1.459  -0.711
  142   HH22  ARG  21          HH22      ARG  21  24.716  -1.342   0.472
  Start of MODEL   17
    1    H1   ALA   1           HT1      ALA   1  18.635   3.367 -11.658
    2    H2   ALA   1           HT2      ALA   1  18.832   1.821 -12.332
    3    H3   ALA   1           HT3      ALA   1  20.175   2.659 -11.714
    4    HA   ALA   1           HA       ALA   1  19.004   0.786 -10.333
    5    HB1  ALA   1           HB1      ALA   1  19.488   2.776  -8.394
    6    HB2  ALA   1           HB2      ALA   1  20.565   3.147  -9.739
    7    HB3  ALA   1           HB3      ALA   1  20.625   1.559  -8.975
    8    H    GLY   2           HN       GLY   2  18.017   1.714  -7.891
    9    HA2  GLY   2           HA2      GLY   2  15.227   2.133  -8.584
   10    HA3  GLY   2           HA1      GLY   2  15.869   1.800  -6.979
   11    H    GLY   3           HN       GLY   3  14.150   3.587  -6.636
   12    HA2  GLY   3           HA2      GLY   3  14.659   6.258  -7.379
   13    HA3  GLY   3           HA1      GLY   3  13.681   5.751  -6.006
   14    H    DBU   4           HN       DHB   4  15.639   4.388  -4.504
   15    HB   DBU   4           HB       DHB   4  19.092   5.638  -2.850
   16    HG1  DBU   4           HG1      DHB   4  18.258   4.317  -5.498
   17    HG2  DBU   4           HG2      DHB   4  19.488   3.631  -4.432
   18    HG3  DBU   4           HG3      DHB   4  19.802   5.144  -5.286
   19    H    ILE   5           HN       ILE   5  14.769   5.369  -2.795
   20    HA   ILE   5           HA       ILE   5  15.130   6.943  -0.399
   21    HB   ILE   5           HB       ILE   5  13.654   7.912  -2.773
   22   HG12  ILE   5          HG12      ILE   5  14.306  10.076  -1.447
   23   HG13  ILE   5          HG11      ILE   5  15.373   8.994  -0.560
   24   HG21  ILE   5          HG21      ILE   5  12.354   9.392  -1.053
   25   HG22  ILE   5          HG22      ILE   5  12.681   8.074   0.074
   26   HG23  ILE   5          HG23      ILE   5  11.749   7.770  -1.393
   27   HD11  ILE   5          HD11      ILE   5  16.858   9.204  -2.233
   28   HD12  ILE   5          HD12      ILE   5  15.702  10.113  -3.208
   29   HD13  ILE   5          HD13      ILE   5  15.720   8.351  -3.279
   30    HA   PRO   6           HA       PRO   6  10.652   5.001  -0.545
   31    HB2  PRO   6           HB2      PRO   6  11.277   2.734  -2.370
   32    HB3  PRO   6           HB1      PRO   6   9.794   3.701  -2.234
   33    HG2  PRO   6           HG2      PRO   6  11.461   4.052  -4.279
   34    HG3  PRO   6           HG1      PRO   6  10.610   5.415  -3.530
   35    HD2  PRO   6           HD2      PRO   6  13.471   4.620  -3.253
   36    HD3  PRO   6           HD1      PRO   6  12.755   6.234  -3.285
   37    H    DAL   7           HN       DAL   7  13.596   3.140  -1.019
   38    HA   DAL   7           HA       DAL   7  13.146   0.889   0.435
   39    HB1  DAL   7           HB2      DAL   7  13.244   3.283   2.110
   40    HB2  DAL   7           HB3      DAL   7  14.248   1.950   2.665
   41    H    LEU   8           HN       LEU   8  15.113   2.720  -1.291
   42    HA   LEU   8           HA       LEU   8  17.325   0.978  -1.049
   43    HB2  LEU   8           HB2      LEU   8  17.418   3.767  -2.193
   44    HB3  LEU   8           HB1      LEU   8  18.415   2.384  -2.635
   45    HG   LEU   8           HG       LEU   8  15.560   2.970  -3.336
   46   HD11  LEU   8          HD11      LEU   8  16.716   3.297  -5.261
   47   HD12  LEU   8          HD12      LEU   8  16.753   1.538  -5.365
   48   HD13  LEU   8          HD13      LEU   8  18.120   2.408  -4.671
   49   HD21  LEU   8          HD21      LEU   8  15.616   0.424  -4.097
   50   HD22  LEU   8          HD22      LEU   8  15.091   0.861  -2.471
   51   HD23  LEU   8          HD23      LEU   8  16.732   0.272  -2.740
   52    H    MET   9           HN       MET   9  16.391   3.890   0.551
   53    HA   MET   9           HA       MET   9  18.883   4.755   1.547
   54    HB2  MET   9           HB2      MET   9  16.213   4.989   2.953
   55    HB3  MET   9           HB1      MET   9  17.596   6.071   3.082
   56    HG2  MET   9           HG2      MET   9  17.351   6.511   0.598
   57    HG3  MET   9           HG1      MET   9  15.811   5.659   0.697
   58    HE1  MET   9           HE1      MET   9  14.540   5.872   2.772
   59    HE2  MET   9           HE2      MET   9  13.441   7.152   2.261
   60    HE3  MET   9           HE3      MET   9  14.335   7.317   3.770
   61    H    DBB  10           HN       DBB  10  16.494   2.421   2.725
   62    HA   DBB  10           HA       DBB  10  18.534   1.361   4.563
   63    HB2  DBB  10           HB2      DBB  10  17.376  -0.020   2.703
   64    HG1  DBB  10           HG1      DBB  10  15.311  -1.170   3.676
   65    HG2  DBB  10           HG2      DBB  10  15.122   0.446   3.003
   66    HG3  DBB  10           HG3      DBB  10  15.202   0.224   4.747
   67    H    GLY  11           HN       GLY  11  15.149   2.380   4.421
   68    HA2  GLY  11           HA2      GLY  11  14.538   1.699   7.112
   69    HA3  GLY  11           HA1      GLY  11  15.088   3.361   7.005
   70    H    CYS  12           HN       CYS  12  12.829   1.152   5.354
   71    HA   CYS  12           HA       CYS  12  10.698   3.161   5.549
   72    HB2  CYS  12           HB2      CYS  12  10.261   3.007   3.135
   73    HB3  CYS  12           HB1      CYS  12  11.895   3.608   3.428
   74    H    GLY  13           HN       GLY  13   9.028   1.948   3.685
   75    HA2  GLY  13           HA2      GLY  13   8.531  -0.733   4.831
   76    HA3  GLY  13           HA1      GLY  13   7.247   0.396   4.412
   77    H    TRP  14           HN       TRP  14   9.756   0.712   2.271
   78    HA   TRP  14           HA       TRP  14   8.438   0.092  -0.035
   79    HB2  TRP  14           HB2      TRP  14  10.545   0.106  -1.110
   80    HB3  TRP  14           HB1      TRP  14  10.794   1.094   0.325
   81    HD1  TRP  14           HD1      TRP  14  10.871  -1.357   2.370
   82    HE1  TRP  14           HE1      TRP  14  13.006  -2.796   2.517
   83    HE3  TRP  14           HE3      TRP  14  12.963  -0.276  -2.152
   84    HZ2  TRP  14           HZ2      TRP  14  15.298  -3.404   0.920
   85    HZ3  TRP  14           HZ3      TRP  14  15.122  -1.295  -2.815
   86    HH2  TRP  14           HH2      TRP  14  16.293  -2.855  -1.285
   87    H    LEU  15           HN       LEU  15   9.305  -1.793  -1.561
   88    HA   LEU  15           HA       LEU  15   8.058  -4.085  -1.214
   89    HB2  LEU  15           HB2      LEU  15  10.045  -5.289  -2.282
   90    HB3  LEU  15           HB1      LEU  15   9.416  -3.887  -3.148
   91    HG   LEU  15           HG       LEU  15  11.660  -3.607  -1.154
   92   HD11  LEU  15          HD11      LEU  15  11.848  -5.199  -3.417
   93   HD12  LEU  15          HD12      LEU  15  13.201  -4.431  -2.584
   94   HD13  LEU  15          HD13      LEU  15  12.454  -3.637  -3.971
   95   HD21  LEU  15          HD21      LEU  15  12.042  -1.771  -3.133
   96   HD22  LEU  15          HD22      LEU  15  11.080  -1.467  -1.690
   97   HD23  LEU  15          HD23      LEU  15  10.288  -1.941  -3.187
   98    H    DBU  16           HN       DHB  16  11.014  -3.255   0.559
   99    HB   DBU  16           HB       DHB  16  12.465  -6.033   3.068
  100    HG1  DBU  16           HG1      DHB  16  12.299  -6.312   0.074
  101    HG2  DBU  16           HG2      DHB  16  13.381  -7.162   1.178
  102    HG3  DBU  16           HG3      DHB  16  13.758  -5.517   0.668
  103    H    GLY  17           HN       GLY  17  11.896  -2.932   3.632
  104    HA2  GLY  17           HA2      GLY  17  10.104  -1.705   4.938
  105    HA3  GLY  17           HA1      GLY  17   9.554  -3.311   5.401
  106    H    LEU  18           HN       LEU  18  12.015  -4.562   5.836
  107    HA   LEU  18           HA       LEU  18  12.948  -3.108   8.233
  108    HB2  LEU  18           HB2      LEU  18  12.902  -6.065   7.594
  109    HB3  LEU  18           HB1      LEU  18  13.699  -5.377   9.010
  110    HG   LEU  18           HG       LEU  18  10.775  -4.926   8.355
  111   HD11  LEU  18          HD11      LEU  18  11.985  -6.845  10.369
  112   HD12  LEU  18          HD12      LEU  18  11.303  -7.333   8.817
  113   HD13  LEU  18          HD13      LEU  18  10.268  -6.603  10.046
  114   HD21  LEU  18          HD21      LEU  18  12.522  -3.592  10.070
  115   HD22  LEU  18          HD22      LEU  18  11.678  -4.724  11.128
  116   HD23  LEU  18          HD23      LEU  18  10.761  -3.567  10.164
  117    H    CYS  19           HN       CYS  19  13.923  -2.652   5.513
  118    HA   CYS  19           HA       CYS  19  15.878  -2.879   4.219
  119    HB2  CYS  19           HB2      CYS  19  16.006  -0.926   5.930
  120    HB3  CYS  19           HB1      CYS  19  17.164  -1.952   6.771
  121    H    VAL  20           HN       VAL  20  15.963  -5.201   4.091
  122    HA   VAL  20           HA       VAL  20  17.785  -6.536   5.971
  123    HB   VAL  20           HB       VAL  20  17.064  -8.591   4.647
  124   HG11  VAL  20          HG11      VAL  20  14.901  -8.707   5.797
  125   HG12  VAL  20          HG12      VAL  20  14.894  -6.955   5.997
  126   HG13  VAL  20          HG13      VAL  20  16.093  -7.934   6.843
  127   HG21  VAL  20          HG21      VAL  20  16.326  -7.267   2.643
  128   HG22  VAL  20          HG22      VAL  20  14.989  -6.636   3.603
  129   HG23  VAL  20          HG23      VAL  20  15.082  -8.360   3.247
  130    H    ARG  21           HN       ARG  21  17.924  -4.874   3.092
  131    HA   ARG  21           HA       ARG  21  19.418  -6.171   1.263
  132    HB2  ARG  21           HB2      ARG  21  20.407  -4.107   0.647
  133    HB3  ARG  21           HB1      ARG  21  18.838  -3.689   1.339
  134    HG2  ARG  21           HG2      ARG  21  19.901  -3.206   3.499
  135    HG3  ARG  21           HG1      ARG  21  21.472  -3.652   2.834
  136    HD2  ARG  21           HD2      ARG  21  20.710  -1.844   0.985
  137    HD3  ARG  21           HD1      ARG  21  19.851  -1.204   2.386
  138    HE   ARG  21           HE       ARG  21  22.493  -1.804   3.146
  139   HH11  ARG  21          HH11      ARG  21  20.686   0.350   1.129
  140   HH12  ARG  21          HH12      ARG  21  21.835   1.641   1.239
  141   HH21  ARG  21          HH21      ARG  21  24.014  -0.118   3.284
  142   HH22  ARG  21          HH22      ARG  21  23.720   1.376   2.459
  Start of MODEL   18
    1    H1   ALA   1           HT1      ALA   1  12.026   7.423 -12.632
    2    H2   ALA   1           HT2      ALA   1  13.435   6.549 -13.001
    3    H3   ALA   1           HT3      ALA   1  13.368   7.505 -11.599
    4    HA   ALA   1           HA       ALA   1  11.625   6.073 -10.697
    5    HB1  ALA   1           HB1      ALA   1  12.199   4.513 -13.232
    6    HB2  ALA   1           HB2      ALA   1  10.674   5.280 -12.791
    7    HB3  ALA   1           HB3      ALA   1  11.260   3.890 -11.876
    8    H    GLY   2           HN       GLY   2  14.292   6.721 -10.248
    9    HA2  GLY   2           HA2      GLY   2  16.088   4.542 -10.290
   10    HA3  GLY   2           HA1      GLY   2  16.201   5.939  -9.223
   11    H    GLY   3           HN       GLY   3  13.707   5.612  -7.897
   12    HA2  GLY   3           HA2      GLY   3  12.634   4.363  -6.258
   13    HA3  GLY   3           HA1      GLY   3  13.589   2.966  -6.744
   14    H    DBU   4           HN       DHB   4  15.357   5.849  -6.138
   15    HB   DBU   4           HB       DHB   4  18.044   5.440  -3.183
   16    HG1  DBU   4           HG1      DHB   4  17.562   3.619  -5.625
   17    HG2  DBU   4           HG2      DHB   4  18.851   3.434  -4.435
   18    HG3  DBU   4           HG3      DHB   4  18.950   4.708  -5.651
   19    H    ILE   5           HN       ILE   5  15.039   4.923  -2.173
   20    HA   ILE   5           HA       ILE   5  15.106   6.902  -0.426
   21    HB   ILE   5           HB       ILE   5  13.712   7.886  -2.844
   22   HG12  ILE   5          HG12      ILE   5  15.929   8.669  -1.676
   23   HG13  ILE   5          HG11      ILE   5  14.816   9.879  -2.308
   24   HG21  ILE   5          HG21      ILE   5  12.371   9.470  -1.309
   25   HG22  ILE   5          HG22      ILE   5  12.673   8.295  -0.027
   26   HG23  ILE   5          HG23      ILE   5  11.762   7.823  -1.463
   27   HD11  ILE   5          HD11      ILE   5  15.713  10.232   0.094
   28   HD12  ILE   5          HD12      ILE   5  14.628   8.918   0.550
   29   HD13  ILE   5          HD13      ILE   5  13.975  10.399  -0.152
   30    HA   PRO   6           HA       PRO   6  10.508   5.194  -0.483
   31    HB2  PRO   6           HB2      PRO   6  10.927   2.963  -2.400
   32    HB3  PRO   6           HB1      PRO   6   9.542   4.060  -2.224
   33    HG2  PRO   6           HG2      PRO   6  11.227   4.322  -4.270
   34    HG3  PRO   6           HG1      PRO   6  10.523   5.735  -3.466
   35    HD2  PRO   6           HD2      PRO   6  13.293   4.622  -3.203
   36    HD3  PRO   6           HD1      PRO   6  12.749   6.310  -3.235
   37    H    DAL   7           HN       DAL   7  13.467   3.468  -0.732
   38    HA   DAL   7           HA       DAL   7  12.928   1.024   0.410
   39    HB1  DAL   7           HB2      DAL   7  12.978   3.258   2.336
   40    HB2  DAL   7           HB3      DAL   7  13.859   1.811   2.795
   41    H    LEU   8           HN       LEU   8  14.795   2.744  -1.247
   42    HA   LEU   8           HA       LEU   8  17.110   1.233  -1.069
   43    HB2  LEU   8           HB2      LEU   8  16.494   3.965  -2.150
   44    HB3  LEU   8           HB1      LEU   8  18.132   3.321  -2.221
   45    HG   LEU   8           HG       LEU   8  16.466   2.933  -4.217
   46   HD11  LEU   8          HD11      LEU   8  17.593   0.355  -3.869
   47   HD12  LEU   8          HD12      LEU   8  18.691   1.510  -3.108
   48   HD13  LEU   8          HD13      LEU   8  18.242   1.703  -4.802
   49   HD21  LEU   8          HD21      LEU   8  14.648   1.962  -2.870
   50   HD22  LEU   8          HD22      LEU   8  15.732   0.691  -2.304
   51   HD23  LEU   8          HD23      LEU   8  15.270   0.766  -4.005
   52    H    MET   9           HN       MET   9  16.111   4.058   0.712
   53    HA   MET   9           HA       MET   9  18.608   4.872   1.731
   54    HB2  MET   9           HB2      MET   9  15.941   5.027   3.142
   55    HB3  MET   9           HB1      MET   9  17.327   6.089   3.367
   56    HG2  MET   9           HG2      MET   9  16.558   5.987   0.576
   57    HG3  MET   9           HG1      MET   9  15.193   6.460   1.594
   58    HE1  MET   9           HE1      MET   9  18.912   6.741   1.198
   59    HE2  MET   9           HE2      MET   9  19.280   8.465   1.202
   60    HE3  MET   9           HE3      MET   9  18.416   7.759  -0.161
   61    H    DBB  10           HN       DBB  10  16.227   2.497   2.860
   62    HA   DBB  10           HA       DBB  10  18.289   1.362   4.639
   63    HB2  DBB  10           HB2      DBB  10  17.169   0.022   2.756
   64    HG1  DBB  10           HG1      DBB  10  14.916   0.454   2.909
   65    HG2  DBB  10           HG2      DBB  10  14.889   0.358   4.659
   66    HG3  DBB  10           HG3      DBB  10  15.030  -1.096   3.694
   67    H    GLY  11           HN       GLY  11  14.956   2.443   4.496
   68    HA2  GLY  11           HA2      GLY  11  14.320   1.659   7.167
   69    HA3  GLY  11           HA1      GLY  11  14.778   3.348   7.065
   70    H    CYS  12           HN       CYS  12  12.586   0.969   5.558
   71    HA   CYS  12           HA       CYS  12  10.347   2.795   5.741
   72    HB2  CYS  12           HB2      CYS  12   9.924   2.983   3.381
   73    HB3  CYS  12           HB1      CYS  12  11.584   3.499   3.662
   74    H    GLY  13           HN       GLY  13   8.723   1.698   3.853
   75    HA2  GLY  13           HA2      GLY  13   8.508  -1.152   4.611
   76    HA3  GLY  13           HA1      GLY  13   7.118  -0.084   4.511
   77    H    TRP  14           HN       TRP  14   9.620   0.371   2.221
   78    HA   TRP  14           HA       TRP  14   8.087   0.238  -0.047
   79    HB2  TRP  14           HB2      TRP  14  10.201  -0.139  -1.280
   80    HB3  TRP  14           HB1      TRP  14  10.373   1.099  -0.055
   81    HD1  TRP  14           HD1      TRP  14  10.455  -1.219   2.305
   82    HE1  TRP  14           HE1      TRP  14  12.704  -2.401   2.706
   83    HE3  TRP  14           HE3      TRP  14  12.763  -0.205  -2.116
   84    HZ2  TRP  14           HZ2      TRP  14  15.167  -2.857   1.325
   85    HZ3  TRP  14           HZ3      TRP  14  15.053  -1.024  -2.556
   86    HH2  TRP  14           HH2      TRP  14  16.262  -2.344  -0.844
   87    H    LEU  15           HN       LEU  15  10.392  -2.076  -0.711
   88    HA   LEU  15           HA       LEU  15   8.357  -4.128  -1.058
   89    HB2  LEU  15           HB2      LEU  15  10.662  -5.204  -2.040
   90    HB3  LEU  15           HB1      LEU  15   9.549  -4.221  -2.989
   91    HG   LEU  15           HG       LEU  15  11.796  -2.994  -1.379
   92   HD11  LEU  15          HD11      LEU  15  11.886  -4.453  -3.941
   93   HD12  LEU  15          HD12      LEU  15  13.184  -4.076  -2.809
   94   HD13  LEU  15          HD13      LEU  15  12.647  -2.862  -3.969
   95   HD21  LEU  15          HD21      LEU  15   9.663  -1.780  -2.490
   96   HD22  LEU  15          HD22      LEU  15  10.710  -1.833  -3.907
   97   HD23  LEU  15          HD23      LEU  15  11.253  -1.018  -2.442
   98    H    DBU  16           HN       DHB  16  11.444  -3.610   0.644
   99    HB   DBU  16           HB       DHB  16  12.907  -6.534   2.883
  100    HG1  DBU  16           HG1      DHB  16  13.514  -7.360   0.559
  101    HG2  DBU  16           HG2      DHB  16  14.511  -5.965   0.971
  102    HG3  DBU  16           HG3      DHB  16  13.116  -5.769  -0.090
  103    H    GLY  17           HN       GLY  17  11.516  -3.156   3.465
  104    HA2  GLY  17           HA2      GLY  17   9.511  -2.642   4.870
  105    HA3  GLY  17           HA1      GLY  17   9.563  -4.332   5.354
  106    H    LEU  18           HN       LEU  18  11.981  -4.934   6.037
  107    HA   LEU  18           HA       LEU  18  12.633  -3.047   8.197
  108    HB2  LEU  18           HB2      LEU  18  13.334  -5.965   7.820
  109    HB3  LEU  18           HB1      LEU  18  13.878  -4.974   9.174
  110    HG   LEU  18           HG       LEU  18  10.971  -5.437   8.449
  111   HD11  LEU  18          HD11      LEU  18  12.870  -6.837  10.303
  112   HD12  LEU  18          HD12      LEU  18  11.604  -7.516   9.283
  113   HD13  LEU  18          HD13      LEU  18  11.180  -6.678  10.775
  114   HD21  LEU  18          HD21      LEU  18  11.098  -4.640  11.071
  115   HD22  LEU  18          HD22      LEU  18  10.785  -3.554   9.719
  116   HD23  LEU  18          HD23      LEU  18  12.419  -3.713  10.362
  117    H    CYS  19           HN       CYS  19  13.574  -3.493   5.145
  118    HA   CYS  19           HA       CYS  19  15.439  -2.795   3.992
  119    HB2  CYS  19           HB2      CYS  19  15.562  -1.044   5.826
  120    HB3  CYS  19           HB1      CYS  19  16.648  -2.129   6.676
  121    H    VAL  20           HN       VAL  20  15.653  -5.080   3.529
  122    HA   VAL  20           HA       VAL  20  17.255  -6.815   5.090
  123    HB   VAL  20           HB       VAL  20  16.669  -6.873   2.121
  124   HG11  VAL  20          HG11      VAL  20  17.031  -9.462   3.117
  125   HG12  VAL  20          HG12      VAL  20  18.322  -8.522   3.863
  126   HG13  VAL  20          HG13      VAL  20  18.165  -8.564   2.108
  127   HG21  VAL  20          HG21      VAL  20  14.610  -6.942   3.380
  128   HG22  VAL  20          HG22      VAL  20  15.298  -8.076   4.543
  129   HG23  VAL  20          HG23      VAL  20  14.974  -8.599   2.890
  130    H    ARG  21           HN       ARG  21  18.001  -4.734   2.300
  131    HA   ARG  21           HA       ARG  21  20.654  -5.471   1.889
  132    HB2  ARG  21           HB2      ARG  21  19.385  -3.955   0.403
  133    HB3  ARG  21           HB1      ARG  21  19.469  -2.695   1.637
  134    HG2  ARG  21           HG2      ARG  21  21.932  -2.747   1.533
  135    HG3  ARG  21           HG1      ARG  21  21.856  -4.012   0.306
  136    HD2  ARG  21           HD2      ARG  21  20.624  -2.491  -1.193
  137    HD3  ARG  21           HD1      ARG  21  20.688  -1.226   0.032
  138    HE   ARG  21           HE       ARG  21  22.918  -2.168  -1.616
  139   HH11  ARG  21          HH11      ARG  21  21.736  -0.267   1.023
  140   HH12  ARG  21          HH12      ARG  21  23.125   0.766   1.083
  141   HH21  ARG  21          HH21      ARG  21  24.745  -0.816  -1.543
  142   HH22  ARG  21          HH22      ARG  21  24.829   0.455  -0.370
  Start of MODEL   19
    1    H1   ALA   1           HT1      ALA   1  16.228   9.795 -11.777
    2    H2   ALA   1           HT2      ALA   1  16.423  10.887 -10.489
    3    H3   ALA   1           HT3      ALA   1  15.818  11.428 -11.982
    4    HA   ALA   1           HA       ALA   1  14.290  10.787  -9.879
    5    HB1  ALA   1           HB1      ALA   1  12.919  10.143 -12.348
    6    HB2  ALA   1           HB2      ALA   1  13.979  11.535 -12.577
    7    HB3  ALA   1           HB3      ALA   1  12.743  11.566 -11.319
    8    H    GLY   2           HN       GLY   2  13.132   9.050  -9.112
    9    HA2  GLY   2           HA2      GLY   2  12.388   6.858  -8.913
   10    HA3  GLY   2           HA1      GLY   2  13.057   6.520 -10.505
   11    H    GLY   3           HN       GLY   3  15.233   8.062  -8.397
   12    HA2  GLY   3           HA2      GLY   3  17.086   5.930  -8.427
   13    HA3  GLY   3           HA1      GLY   3  17.194   7.368  -7.416
   14    H    DBU   4           HN       DHB   4  14.709   6.988  -6.026
   15    HB   DBU   4           HB       DHB   4  13.936   3.965  -3.382
   16    HG1  DBU   4           HG1      DHB   4  14.195   3.761  -6.447
   17    HG2  DBU   4           HG2      DHB   4  13.204   2.697  -5.447
   18    HG3  DBU   4           HG3      DHB   4  14.961   2.537  -5.437
   19    H    ILE   5           HN       ILE   5  14.299   4.919  -2.238
   20    HA   ILE   5           HA       ILE   5  15.517   6.640  -0.642
   21    HB   ILE   5           HB       ILE   5  13.601   8.114  -2.257
   22   HG12  ILE   5          HG12      ILE   5  16.046   8.554  -0.602
   23   HG13  ILE   5          HG11      ILE   5  15.706   9.063  -2.252
   24   HG21  ILE   5          HG21      ILE   5  12.680   9.497  -0.456
   25   HG22  ILE   5          HG22      ILE   5  13.520   8.526   0.752
   26   HG23  ILE   5          HG23      ILE   5  12.217   7.815  -0.199
   27   HD11  ILE   5          HD11      ILE   5  13.891  10.580  -0.962
   28   HD12  ILE   5          HD12      ILE   5  15.548  11.118  -1.243
   29   HD13  ILE   5          HD13      ILE   5  15.096  10.431   0.319
   30    HA   PRO   6           HA       PRO   6  11.090   5.611   1.214
   31    HB2  PRO   6           HB2      PRO   6  10.465   3.416  -0.699
   32    HB3  PRO   6           HB1      PRO   6   9.380   4.601   0.050
   33    HG2  PRO   6           HG2      PRO   6  10.073   4.824  -2.504
   34    HG3  PRO   6           HG1      PRO   6   9.912   6.256  -1.471
   35    HD2  PRO   6           HD2      PRO   6  12.403   4.904  -2.422
   36    HD3  PRO   6           HD1      PRO   6  12.080   6.633  -2.176
   37    H    DAL   7           HN       DAL   7  12.696   3.009  -0.557
   38    HA   DAL   7           HA       DAL   7  12.831   0.792   0.359
   39    HB1  DAL   7           HB2      DAL   7  13.366   2.251   2.939
   40    HB2  DAL   7           HB3      DAL   7  13.552   0.512   2.721
   41    H    LEU   8           HN       LEU   8  14.556   2.903  -0.875
   42    HA   LEU   8           HA       LEU   8  16.942   1.398  -1.028
   43    HB2  LEU   8           HB2      LEU   8  16.153   4.180  -1.841
   44    HB3  LEU   8           HB1      LEU   8  17.821   3.632  -2.011
   45    HG   LEU   8           HG       LEU   8  16.319   3.295  -4.030
   46   HD11  LEU   8          HD11      LEU   8  18.245   1.562  -2.770
   47   HD12  LEU   8          HD12      LEU   8  18.018   1.902  -4.485
   48   HD13  LEU   8          HD13      LEU   8  17.103   0.607  -3.713
   49   HD21  LEU   8          HD21      LEU   8  14.359   2.500  -2.616
   50   HD22  LEU   8          HD22      LEU   8  15.253   1.004  -2.349
   51   HD23  LEU   8          HD23      LEU   8  14.748   1.448  -3.978
   52    H    MET   9           HN       MET   9  15.982   4.198   0.816
   53    HA   MET   9           HA       MET   9  18.382   5.076   1.852
   54    HB2  MET   9           HB2      MET   9  15.627   4.910   3.071
   55    HB3  MET   9           HB1      MET   9  16.953   5.844   3.776
   56    HG2  MET   9           HG2      MET   9  16.293   6.216   0.890
   57    HG3  MET   9           HG1      MET   9  15.256   6.962   2.108
   58    HE1  MET   9           HE1      MET   9  18.420   6.488   0.458
   59    HE2  MET   9           HE2      MET   9  19.483   7.838   0.856
   60    HE3  MET   9           HE3      MET   9  18.077   8.105  -0.173
   61    H    DBB  10           HN       DBB  10  16.277   2.469   3.016
   62    HA   DBB  10           HA       DBB  10  18.569   1.451   4.566
   63    HB2  DBB  10           HB2      DBB  10  17.635   0.102   2.674
   64    HG1  DBB  10           HG1      DBB  10  15.289   0.855   3.236
   65    HG2  DBB  10           HG2      DBB  10  15.300  -0.393   4.484
   66    HG3  DBB  10           HG3      DBB  10  15.494  -0.840   2.790
   67    H    GLY  11           HN       GLY  11  14.989   1.542   4.707
   68    HA2  GLY  11           HA2      GLY  11  14.675   0.639   7.299
   69    HA3  GLY  11           HA1      GLY  11  14.993   2.364   7.411
   70    H    CYS  12           HN       CYS  12  12.971   0.146   5.444
   71    HA   CYS  12           HA       CYS  12  10.593   1.636   6.171
   72    HB2  CYS  12           HB2      CYS  12  10.144   2.647   4.150
   73    HB3  CYS  12           HB1      CYS  12  11.896   2.802   4.230
   74    H    GLY  13           HN       GLY  13   8.673   0.872   4.821
   75    HA2  GLY  13           HA2      GLY  13   8.754  -2.064   4.653
   76    HA3  GLY  13           HA1      GLY  13   7.310  -1.080   4.818
   77    H    TRP  14           HN       TRP  14   9.972  -0.612   2.573
   78    HA   TRP  14           HA       TRP  14   8.287  -0.107   0.387
   79    HB2  TRP  14           HB2      TRP  14  10.348  -0.227  -0.960
   80    HB3  TRP  14           HB1      TRP  14  10.561   0.751   0.470
   81    HD1  TRP  14           HD1      TRP  14  10.756  -1.981   2.334
   82    HE1  TRP  14           HE1      TRP  14  13.039  -3.180   2.419
   83    HE3  TRP  14           HE3      TRP  14  12.880  -0.090  -1.887
   84    HZ2  TRP  14           HZ2      TRP  14  15.456  -3.308   0.879
   85    HZ3  TRP  14           HZ3      TRP  14  15.163  -0.758  -2.563
   86    HH2  TRP  14           HH2      TRP  14  16.458  -2.354  -1.188
   87    H    LEU  15           HN       LEU  15  10.530  -2.248  -0.800
   88    HA   LEU  15           HA       LEU  15   8.458  -4.240  -1.352
   89    HB2  LEU  15           HB2      LEU  15  10.482  -4.936  -2.973
   90    HB3  LEU  15           HB1      LEU  15   9.327  -3.670  -3.399
   91    HG   LEU  15           HG       LEU  15  11.821  -3.024  -1.832
   92   HD11  LEU  15          HD11      LEU  15  13.164  -3.038  -3.654
   93   HD12  LEU  15          HD12      LEU  15  11.872  -2.512  -4.736
   94   HD13  LEU  15          HD13      LEU  15  12.000  -4.210  -4.272
   95   HD21  LEU  15          HD21      LEU  15  11.342  -0.821  -2.345
   96   HD22  LEU  15          HD22      LEU  15   9.701  -1.469  -2.332
   97   HD23  LEU  15          HD23      LEU  15  10.545  -1.231  -3.862
   98    H    DBU  16           HN       DHB  16  10.834  -3.785   0.880
   99    HB   DBU  16           HB       DHB  16  13.015  -7.106   1.893
  100    HG1  DBU  16           HG1      DHB  16  12.835  -5.799  -0.882
  101    HG2  DBU  16           HG2      DHB  16  13.071  -7.533  -0.658
  102    HG3  DBU  16           HG3      DHB  16  14.316  -6.399  -0.134
  103    H    GLY  17           HN       GLY  17  11.432  -3.677   3.051
  104    HA2  GLY  17           HA2      GLY  17   9.894  -3.422   4.885
  105    HA3  GLY  17           HA1      GLY  17   9.861  -5.172   5.055
  106    H    LEU  18           HN       LEU  18  11.126  -2.347   6.275
  107    HA   LEU  18           HA       LEU  18  12.739  -1.854   7.837
  108    HB2  LEU  18           HB2      LEU  18  12.441  -4.821   8.358
  109    HB3  LEU  18           HB1      LEU  18  13.349  -3.717   9.393
  110    HG   LEU  18           HG       LEU  18  10.431  -3.318   8.683
  111   HD11  LEU  18          HD11      LEU  18  10.890  -3.998  11.439
  112   HD12  LEU  18          HD12      LEU  18  11.581  -5.256  10.414
  113   HD13  LEU  18          HD13      LEU  18   9.877  -4.828  10.258
  114   HD21  LEU  18          HD21      LEU  18  10.513  -1.465  10.027
  115   HD22  LEU  18          HD22      LEU  18  12.226  -1.502   9.611
  116   HD23  LEU  18          HD23      LEU  18  11.673  -2.198  11.135
  117    H    CYS  19           HN       CYS  19  13.909  -1.693   5.582
  118    HA   CYS  19           HA       CYS  19  15.696  -2.376   4.188
  119    HB2  CYS  19           HB2      CYS  19  16.305  -0.656   6.068
  120    HB3  CYS  19           HB1      CYS  19  17.266  -1.988   6.702
  121    H    VAL  20           HN       VAL  20  15.506  -4.558   3.715
  122    HA   VAL  20           HA       VAL  20  17.104  -6.353   5.436
  123    HB   VAL  20           HB       VAL  20  15.607  -8.173   4.374
  124   HG11  VAL  20          HG11      VAL  20  13.794  -7.650   6.091
  125   HG12  VAL  20          HG12      VAL  20  14.652  -6.142   6.409
  126   HG13  VAL  20          HG13      VAL  20  15.442  -7.689   6.719
  127   HG21  VAL  20          HG21      VAL  20  13.783  -5.773   4.050
  128   HG22  VAL  20          HG22      VAL  20  13.437  -7.446   3.610
  129   HG23  VAL  20          HG23      VAL  20  14.638  -6.525   2.703
  130    H    ARG  21           HN       ARG  21  17.017  -4.778   2.523
  131    HA   ARG  21           HA       ARG  21  17.591  -6.237   0.411
  132    HB2  ARG  21           HB2      ARG  21  19.451  -4.752  -0.195
  133    HB3  ARG  21           HB1      ARG  21  18.121  -3.832   0.515
  134    HG2  ARG  21           HG2      ARG  21  19.258  -3.759   2.664
  135    HG3  ARG  21           HG1      ARG  21  20.543  -4.805   2.059
  136    HD2  ARG  21           HD2      ARG  21  21.284  -2.475   2.004
  137    HD3  ARG  21           HD1      ARG  21  21.114  -3.087   0.361
  138    HE   ARG  21           HE       ARG  21  18.705  -1.828   1.238
  139   HH11  ARG  21          HH11      ARG  21  21.938  -1.240   0.156
  140   HH12  ARG  21          HH12      ARG  21  21.574   0.308  -0.529
  141   HH21  ARG  21          HH21      ARG  21  18.217   0.192   0.329
  142   HH22  ARG  21          HH22      ARG  21  19.468   1.119  -0.432
  Start of MODEL   20
    1    H1   ALA   1           HT1      ALA   1  11.597   8.824  -2.491
    2    H2   ALA   1           HT2      ALA   1  10.276   8.417  -1.503
    3    H3   ALA   1           HT3      ALA   1  10.394   9.975  -2.168
    4    HA   ALA   1           HA       ALA   1   9.774   7.432  -3.537
    5    HB1  ALA   1           HB1      ALA   1   7.888   8.690  -2.619
    6    HB2  ALA   1           HB2      ALA   1   7.869   8.799  -4.378
    7    HB3  ALA   1           HB3      ALA   1   8.451  10.158  -3.418
    8    H    GLY   2           HN       GLY   2   9.524   7.667  -5.906
    9    HA2  GLY   2           HA2      GLY   2  10.089   8.612  -7.990
   10    HA3  GLY   2           HA1      GLY   2  11.098   9.792  -7.157
   11    H    GLY   3           HN       GLY   3  11.851   6.985  -5.706
   12    HA2  GLY   3           HA2      GLY   3  13.264   5.157  -6.438
   13    HA3  GLY   3           HA1      GLY   3  13.879   6.209  -7.709
   14    H    DBU   4           HN       DHB   4  13.940   5.532  -4.252
   15    HB   DBU   4           HB       DHB   4  17.676   6.605  -2.868
   16    HG1  DBU   4           HG1      DHB   4  17.038   5.368  -5.614
   17    HG2  DBU   4           HG2      DHB   4  18.269   4.746  -4.515
   18    HG3  DBU   4           HG3      DHB   4  18.474   6.329  -5.265
   19    H    ILE   5           HN       ILE   5  14.652   5.334  -1.600
   20    HA   ILE   5           HA       ILE   5  14.730   6.925   0.514
   21    HB   ILE   5           HB       ILE   5  13.038   8.234  -1.527
   22   HG12  ILE   5          HG12      ILE   5  15.320   8.922  -0.328
   23   HG13  ILE   5          HG11      ILE   5  14.122  10.130  -0.777
   24   HG21  ILE   5          HG21      ILE   5  12.288   7.959   1.388
   25   HG22  ILE   5          HG22      ILE   5  11.262   7.720  -0.031
   26   HG23  ILE   5          HG23      ILE   5  11.769   9.346   0.428
   27   HD11  ILE   5          HD11      ILE   5  15.142  10.030   1.693
   28   HD12  ILE   5          HD12      ILE   5  13.856   8.844   1.907
   29   HD13  ILE   5          HD13      ILE   5  13.463  10.489   1.412
   30    HA   PRO   6           HA       PRO   6  10.335   4.814   0.394
   31    HB2  PRO   6           HB2      PRO   6  10.699   3.036  -1.952
   32    HB3  PRO   6           HB1      PRO   6   9.300   4.026  -1.494
   33    HG2  PRO   6           HG2      PRO   6  10.857   4.702  -3.544
   34    HG3  PRO   6           HG1      PRO   6  10.138   5.921  -2.476
   35    HD2  PRO   6           HD2      PRO   6  12.960   4.897  -2.512
   36    HD3  PRO   6           HD1      PRO   6  12.364   6.538  -2.269
   37    H    DAL   7           HN       DAL   7  13.455   3.610  -0.035
   38    HA   DAL   7           HA       DAL   7  12.991   0.872   0.674
   39    HB1  DAL   7           HB2      DAL   7  14.491   1.861   2.886
   40    HB2  DAL   7           HB3      DAL   7  12.959   0.996   2.905
   41    H    LEU   8           HN       LEU   8  14.693   2.933  -0.958
   42    HA   LEU   8           HA       LEU   8  16.955   1.272  -1.265
   43    HB2  LEU   8           HB2      LEU   8  16.838   4.216  -1.946
   44    HB3  LEU   8           HB1      LEU   8  17.786   2.957  -2.738
   45    HG   LEU   8           HG       LEU   8  14.835   3.488  -2.893
   46   HD11  LEU   8          HD11      LEU   8  17.160   3.265  -4.726
   47   HD12  LEU   8          HD12      LEU   8  15.745   4.309  -4.822
   48   HD13  LEU   8          HD13      LEU   8  15.632   2.628  -5.332
   49   HD21  LEU   8          HD21      LEU   8  14.607   1.230  -2.401
   50   HD22  LEU   8          HD22      LEU   8  16.213   0.828  -3.009
   51   HD23  LEU   8          HD23      LEU   8  14.896   1.139  -4.139
   52    H    MET   9           HN       MET   9  16.263   4.018   0.786
   53    HA   MET   9           HA       MET   9  18.923   4.589   1.609
   54    HB2  MET   9           HB2      MET   9  16.413   5.004   3.241
   55    HB3  MET   9           HB1      MET   9  17.909   5.928   3.307
   56    HG2  MET   9           HG2      MET   9  17.534   6.626   0.934
   57    HG3  MET   9           HG1      MET   9  15.972   5.811   1.002
   58    HE1  MET   9           HE1      MET   9  17.875   9.245   2.140
   59    HE2  MET   9           HE2      MET   9  18.279   7.805   3.071
   60    HE3  MET   9           HE3      MET   9  17.357   9.104   3.825
   61    H    DBB  10           HN       DBB  10  16.380   2.462   2.849
   62    HA   DBB  10           HA       DBB  10  18.376   1.187   4.624
   63    HB2  DBB  10           HB2      DBB  10  17.283  -0.068   2.604
   64    HG1  DBB  10           HG1      DBB  10  15.017   0.141   2.767
   65    HG2  DBB  10           HG2      DBB  10  15.026   0.163   4.518
   66    HG3  DBB  10           HG3      DBB  10  15.233  -1.344   3.664
   67    H    GLY  11           HN       GLY  11  15.151   2.465   4.336
   68    HA2  GLY  11           HA2      GLY  11  14.272   1.540   6.897
   69    HA3  GLY  11           HA1      GLY  11  14.815   3.204   6.916
   70    H    CYS  12           HN       CYS  12  12.534   0.975   5.402
   71    HA   CYS  12           HA       CYS  12  10.479   3.029   5.341
   72    HB2  CYS  12           HB2      CYS  12  10.938   1.718   2.728
   73    HB3  CYS  12           HB1      CYS  12  10.248   3.298   3.069
   74    H    GLY  13           HN       GLY  13   9.001   1.680   3.273
   75    HA2  GLY  13           HA2      GLY  13   8.366  -0.901   4.573
   76    HA3  GLY  13           HA1      GLY  13   7.116   0.224   4.063
   77    H    TRP  14           HN       TRP  14   9.624   0.429   1.914
   78    HA   TRP  14           HA       TRP  14   8.280  -0.388  -0.326
   79    HB2  TRP  14           HB2      TRP  14  10.413  -0.526  -1.432
   80    HB3  TRP  14           HB1      TRP  14  10.496   0.774  -0.274
   81    HD1  TRP  14           HD1      TRP  14  10.737  -1.367   2.234
   82    HE1  TRP  14           HE1      TRP  14  13.065  -2.373   2.694
   83    HE3  TRP  14           HE3      TRP  14  12.961  -0.524  -2.275
   84    HZ2  TRP  14           HZ2      TRP  14  15.546  -2.768   1.322
   85    HZ3  TRP  14           HZ3      TRP  14  15.303  -1.223  -2.677
   86    HH2  TRP  14           HH2      TRP  14  16.598  -2.344  -0.886
   87    H    LEU  15           HN       LEU  15   9.394  -2.317  -1.737
   88    HA   LEU  15           HA       LEU  15   8.212  -4.638  -1.318
   89    HB2  LEU  15           HB2      LEU  15  10.302  -5.824  -2.177
   90    HB3  LEU  15           HB1      LEU  15   9.694  -4.500  -3.172
   91    HG   LEU  15           HG       LEU  15  11.783  -4.023  -1.052
   92   HD11  LEU  15          HD11      LEU  15  12.391  -4.590  -3.957
   93   HD12  LEU  15          HD12      LEU  15  12.476  -5.836  -2.712
   94   HD13  LEU  15          HD13      LEU  15  13.530  -4.423  -2.621
   95   HD21  LEU  15          HD21      LEU  15  12.183  -2.362  -3.258
   96   HD22  LEU  15          HD22      LEU  15  11.363  -1.923  -1.769
   97   HD23  LEU  15          HD23      LEU  15  10.429  -2.484  -3.144
   98    H    DBU  16           HN       DHB  16  11.036  -3.572   0.551
   99    HB   DBU  16           HB       DHB  16  12.390  -6.173   3.297
  100    HG1  DBU  16           HG1      DHB  16  13.178  -5.780   0.433
  101    HG2  DBU  16           HG2      DHB  16  12.333  -7.302   0.721
  102    HG3  DBU  16           HG3      DHB  16  13.833  -6.949   1.581
  103    H    GLY  17           HN       GLY  17  11.876  -3.020   3.547
  104    HA2  GLY  17           HA2      GLY  17  10.064  -1.667   4.723
  105    HA3  GLY  17           HA1      GLY  17   9.553  -3.224   5.366
  106    H    LEU  18           HN       LEU  18  11.902  -4.443   5.994
  107    HA   LEU  18           HA       LEU  18  12.832  -2.793   8.238
  108    HB2  LEU  18           HB2      LEU  18  13.200  -5.742   7.655
  109    HB3  LEU  18           HB1      LEU  18  13.774  -4.912   9.102
  110    HG   LEU  18           HG       LEU  18  10.878  -5.044   8.215
  111   HD11  LEU  18          HD11      LEU  18  11.272  -7.204   8.982
  112   HD12  LEU  18          HD12      LEU  18  10.856  -6.392  10.493
  113   HD13  LEU  18          HD13      LEU  18  12.547  -6.689  10.086
  114   HD21  LEU  18          HD21      LEU  18  10.904  -3.147   9.520
  115   HD22  LEU  18          HD22      LEU  18  12.369  -3.628  10.373
  116   HD23  LEU  18          HD23      LEU  18  10.818  -4.342  10.815
  117    H    CYS  19           HN       CYS  19  13.765  -3.482   5.125
  118    HA   CYS  19           HA       CYS  19  15.700  -3.026   3.972
  119    HB2  CYS  19           HB2      CYS  19  15.839  -1.143   5.729
  120    HB3  CYS  19           HB1      CYS  19  16.978  -2.182   6.567
  121    H    VAL  20           HN       VAL  20  16.068  -5.186   3.510
  122    HA   VAL  20           HA       VAL  20  17.990  -6.557   5.287
  123    HB   VAL  20           HB       VAL  20  17.203  -8.632   4.017
  124   HG11  VAL  20          HG11      VAL  20  16.524  -8.031   6.342
  125   HG12  VAL  20          HG12      VAL  20  15.250  -8.879   5.466
  126   HG13  VAL  20          HG13      VAL  20  15.158  -7.130   5.682
  127   HG21  VAL  20          HG21      VAL  20  16.135  -7.466   2.137
  128   HG22  VAL  20          HG22      VAL  20  15.017  -6.668   3.246
  129   HG23  VAL  20          HG23      VAL  20  14.934  -8.415   3.014
  130    H    ARG  21           HN       ARG  21  17.836  -4.794   2.511
  131    HA   ARG  21           HA       ARG  21  19.379  -6.294   0.676
  132    HB2  ARG  21           HB2      ARG  21  18.095  -4.261   0.070
  133    HB3  ARG  21           HB1      ARG  21  19.244  -3.281   0.985
  134    HG2  ARG  21           HG2      ARG  21  21.079  -4.090  -0.457
  135    HG3  ARG  21           HG1      ARG  21  19.926  -5.056  -1.379
  136    HD2  ARG  21           HD2      ARG  21  20.300  -2.986  -2.578
  137    HD3  ARG  21           HD1      ARG  21  18.673  -2.950  -1.906
  138    HE   ARG  21           HE       ARG  21  20.479  -1.760  -0.076
  139   HH11  ARG  21          HH11      ARG  21  18.975  -1.276  -3.154
  140   HH12  ARG  21          HH12      ARG  21  18.995   0.452  -3.047
  141   HH21  ARG  21          HH21      ARG  21  20.512   0.507   0.070
  142   HH22  ARG  21          HH22      ARG  21  19.864   1.462  -1.222