*HEADER    TOXIN                                   08-JAN-20   6VGT              
*TITLE     SOLUTION NMR STRUCTURE OF ENTEROCOCCAL CYTOLYSIN L (CYLLL") PRODUCED  
*TITLE    2 BY ENTEROCOCCUS FAECALIS                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOLYSIN L;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CYLLL";                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS;                          
*SOURCE   3 ORGANISM_TAXID: 1351;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    LANTHIPEPTIDE, CYTOLYSIN, CYCLIC PEPTIDE, POSTTRANSLATIONAL           
*KEYWDS   2 MODIFICATION, TOXIN                                                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.C.BOBEICA,W.A.VAN DER DONK,L.ZHU,W.TANG                             
*REVDAT   1   08-JUL-20 6VGT    0                                                
# Restraints file 1: cylll_noe_20200107.tbl
assign (residue 1 and name HA) (residue 4 and name HB) 3.5 1.7 1.0 
assign (residue 1 and name HA) (residue 4 and name HG2#) 4.5 2.7 1.0 
assign (residue 1 and name HA) (residue 5 and name HN) 2.5 0.7 1.0
assign (residue 1 and name HB2) (residue 2 and name HG#) 4.0 2.2 1.0 
assign (residue 2 and name HG#) (residue 2 and name HB) 2.5 0.7 1.0
assign (residue 3 and name HA) (residue 3 and name HB1) 2.5 0.7 1.0
assign (residue 3 and name HA) (residue 3 and name HB2) 2.5 0.7 1.0
assign (residue 3 and name HA) (residue 6 and name HB#) 2.5 0.7 1.0
assign (residue 3 and name HD1) (residue 2 and name HB) 2.5 0.7 1.0
assign (residue 3 and name HD1) (residue 3 and name HB2) 2.5 0.7 1.0
assign (residue 3 and name HD1) (residue 3 and name HD2) 2.5 0.7 1.0
assign (residue 3 and name HD2) (residue 2 and name HB) 2.5 0.7 1.0
assign (residue 3 and name HD2) (residue 3 and name HB1) 2.5 0.7 1.0
assign (residue 3 and name HD2) (residue 3 and name HB2) 2.5 0.7 1.0
assign (residue 4 and name HA) (residue 4 and name HG1#) 2.5 0.7 1.0
assign (residue 4 and name HA) (residue 4 and name HG2#) 2.5 0.7 1.0
assign (residue 4 and name HA) (residue 5 and name HN) 5.0 3.2 1.0 !
assign (residue 4 and name HA) (residue 7 and name HB) 2.5 0.7 1.0
assign (residue 4 and name HB) (residue 5 and name HN) 2.5 0.7 1.0
assign (residue 4 and name HG1#) (residue 5 and name HN) 5.0 3.2 1.0 
assign (residue 5 and name HA) (residue 5 and name HB1) 2.5 0.7 1.0
assign (residue 5 and name HA) (residue 5 and name HB2) 2.5 0.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HB2) 2.5 0.7 1.0
assign (residue 5 and name HB1) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB1) (residue 6 and name HN) 2.5 0.7 1.0
assign (residue 5 and name HN) (residue 6 and name HN) 2.5 0.7 1.0
assign (residue 6 and name HA) (residue 6 and name HB#) 2.5 0.7 1.0
assign (residue 6 and name HA) (residue 6 and name HN) 2.5 0.7 1.0
assign (residue 6 and name HA) (residue 9 and name HB#) 4.0 2.2 1.0
assign (residue 6 and name HA) (residue 9 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HB#) (residue 6 and name HN) 2.5 0.7 1.0
assign (residue 6 and name HB#) (residue 7 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HA) (residue 7 and name HB) 2.5 0.7 1.0
assign (residue 7 and name HA) (residue 7 and name HG1#) 2.5 0.7 1.0
assign (residue 7 and name HA) (residue 7 and name HG2#) 2.5 0.7 1.0
assign (residue 7 and name HA) (residue 7 and name HN) 2.5 0.7 1.0
assign (residue 7 and name HB) (residue 7 and name HG1#) 2.5 0.7 1.0
assign (residue 7 and name HB) (residue 7 and name HG2#) 2.5 0.7 1.0
assign (residue 7 and name HB) (residue 7 and name HN) 2.5 0.7 1.0
assign (residue 7 and name HB) (residue 8 and name HN) 2.5 0.7 1.0
assign (residue 7 and name HG1#) (residue 7 and name HN) 2.5 0.7 1.0
assign (residue 7 and name HN) (residue 6 and name HN) 2.5 0.7 1.0
assign (residue 7 and name HN) (residue 8 and name HN) 2.5 0.7 1.0
assign (residue 8 and name HA) (residue 8 and name HB#) 2.5 0.7 1.0
assign (residue 8 and name HA) (residue 8 and name HN) 2.5 0.7 1.0
assign (residue 8 and name HB#) (residue 8 and name HN) 2.5 0.7 1.0
assign (residue 9 and name HA) (residue 9 and name HB#) 2.5 0.7 1.0
assign (residue 9 and name HA) (residue 9 and name HN) 2.5 0.7 1.0
assign (residue 9 and name HB#) (residue 9 and name HN) 2.5 0.7 1.0
assign (residue 9 and name HB#) (residue 10 and name HN) 2.5 0.7 1.0
assign (residue 9 and name HN) (residue 10 and name HN) 2.5 0.7 1.0
assign (residue 10 and name HG#) (residue 10 and name HN) 3.0 1.2 1.0
assign (residue 10 and name HG#) (residue 10 and name HB) 3.0 1.2 1.0
assign (residue 11 and name HA) (residue 11 and name HB#) 2.5 0.7 1.0
assign (residue 11 and name HA) (residue 11 and name HN) 2.5 0.7 1.0
assign (residue 11 and name HB#) (residue 11 and name HN) 2.5 0.7 1.0
assign (residue 11 and name HB#) (residue 12 and name HN) 4.0 2.2 1.0
assign (residue 11 and name HN) (residue 10 and name HN) 2.5 0.7 1.0
assign (residue 12 and name HA) (residue 12 and name HB#) 2.5 0.7 1.0
assign (residue 12 and name HA) (residue 12 and name HN) 2.5 0.7 1.0
assign (residue 12 and name HB#) (residue 12 and name HN) 2.5 0.7 1.0
assign (residue 13 and name HA) (residue 13 and name HB#) 2.5 0.7 1.0
assign (residue 13 and name HA) (residue 13 and name HN) 2.5 0.7 1.0
assign (residue 13 and name HB#) (residue 13 and name HN) 2.5 0.7 1.0
assign (residue 13 and name HB#) (residue 14 and name HN) 3.5 1.7 1.0
assign (residue 13 and name HN) (residue 14 and name HN) 2.5 0.7 1.0
assign (residue 14 and name HA) (residue 14 and name HB2) 2.5 0.7 1.0
assign (residue 14 and name HB2) (residue 14 and name HN) 2.5 0.7 1.0
assign (residue 14 and name HB2) (residue 15 and name HN) 4.2 2.4 1.0 
assign (residue 14 and name HB2) (residue 18 and name HN) 5.0 3.2 1.0 
assign (residue 14 and name HB3) (residue 14 and name HN) 3.0 1.2 1.0
assign (residue 14 and name HN) (residue 15 and name HN) 2.5 0.7 1.0 
assign (residue 15 and name HB1) (residue 15 and name HN) 2.5 0.7 1.0 
assign (residue 15 and name HB2) (residue 16 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HB2) (residue 16 and name HB#) 5.0 3.2 1.0 
assign (residue 15 and name HB2) (residue 16 and name HA) 5.0 3.2 1.0 
assign (residue 15 and name HB2) (residue 12 and name HA) 6.0 4.2 1.0 
assign (residue 15 and name HB1) (residue 12 and name HB#) 5.0 3.2 1.0 
assign (residue 15 and name HB1) (residue 12 and name HA) 3.5 1.7 1.0 
assign (residue 16 and name HA) (residue 16 and name HB#) 2.5 0.7 1.0
assign (residue 16 and name HA) (residue 16 and name HN) 2.5 0.7 1.0
assign (residue 16 and name HB#) (residue 16 and name HN) 2.5 0.7 1.0
assign (residue 16 and name HB#) (residue 17 and name HN) 2.5 0.7 1.0
assign (residue 17 and name HA) (residue 17 and name HB#) 2.5 0.7 1.0
assign (residue 17 and name HA) (residue 17 and name HN) 2.5 0.7 1.0
assign (residue 17 and name HA) (residue 20 and name HB1) 3.5 1.7 1.0
assign (residue 17 and name HA) (residue 20 and name HB2) 3.5 1.7 1.0
assign (residue 17 and name HB#) (residue 17 and name HN) 2.5 0.7 1.0
assign (residue 17 and name HB#) (residue 18 and name HN) 2.5 0.7 1.0
assign (residue 17 and name HN) (residue 16 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HA) (residue 18 and name HB1) 2.5 0.7 1.0
assign (residue 18 and name HA) (residue 18 and name HB2) 2.5 0.7 1.0
assign (residue 18 and name HA) (residue 18 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HA) (residue 21 and name HB) 3.5 1.7 1.0 
assign (residue 18 and name HA) (residue 21 and name HG1#) 5.0 3.2 1.0 
assign (residue 18 and name HB1) (residue 18 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HB1) (residue 18 and name HB2) 2.5 0.7 1.0
assign (residue 18 and name HB1) (residue 19 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HB2) (residue 18 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HB2) (residue 19 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HN) (residue 17 and name HN) 2.5 0.7 1.0
assign (residue 19 and name HN) (residue 19 and name HA1) 2.5 0.7 1.0
assign (residue 19 and name HN) (residue 19 and name HA2) 2.5 0.7 1.0
assign (residue 19 and name HA1) (residue 20 and name HN) 3.5 1.7 1.0
assign (residue 19 and name HA2) (residue 20 and name HN) 3.5 1.7 1.0
assign (residue 18 and name HN) (residue 19 and name HN) 2.5 0.7 1.0
assign (residue 18 and name HN) (residue 20 and name HN) 4.0 2.2 1.0
assign (residue 20 and name HA) (residue 20 and name HB1) 2.5 0.7 1.0
assign (residue 20 and name HA) (residue 20 and name HB2) 2.5 0.7 1.0
assign (residue 20 and name HA) (residue 20 and name HN) 2.5 0.7 1.0
assign (residue 20 and name HB1) (residue 20 and name HE3) 2.5 0.7 1.0
assign (residue 20 and name HB1) (residue 21 and name HN) 2.5 0.7 1.0
assign (residue 20 and name HB2) (residue 20 and name HN) 2.5 0.7 1.0
assign (residue 20 and name HB2) (residue 21 and name HN) 2.5 0.7 1.0
assign (residue 20 and name HD1) (residue 20 and name HE1) 2.5 0.7 1.0
assign (residue 20 and name HZ3) (residue 20 and name HE3) 2.5 0.7 1.0
assign (residue 20 and name HN) (residue 19 and name HN) 2.5 0.7 1.0
assign (residue 21 and name HA) (residue 21 and name HB) 2.5 0.7 1.0
assign (residue 21 and name HA) (residue 25 and name HB) 3.5 1.7 1.0
assign (residue 21 and name HB) (residue 21 and name HG2#) 2.5 0.7 1.0
assign (residue 21 and name HB) (residue 21 and name HN) 2.5 0.7 1.0
assign (residue 21 and name HB) (residue 23 and name HN) 3.5 1.7 1.0
assign (residue 21 and name HG1#) (residue 21 and name HN) 2.5 0.7 1.0
assign (residue 21 and name HG2#) (residue 21 and name HN) 2.5 0.7 1.0
assign (residue 24 and name HA#) (residue 27 and name HG#) 2.5 0.7 1.0
assign (residue 24 and name HN) (residue 23 and name HN) 2.5 0.7 1.0
assign (residue 25 and name HA) (residue 25 and name HB) 2.5 0.7 1.0
assign (residue 25 and name HA) (residue 25 and name HG2#) 2.5 0.7 1.0
assign (residue 25 and name HA) (residue 26 and name HN) 2.5 0.7 1.0
assign (residue 25 and name HB) (residue 25 and name HG#) 2.5 0.7 1.0
assign (residue 25 and name HB) (residue 25 and name HN) 2.5 0.7 1.0
assign (residue 25 and name HB) (residue 26 and name HN) 2.5 0.7 1.0
assign (residue 25 and name HG2#) (residue 26 and name HN) 3.5 1.7 1.0
assign (residue 25 and name HG11) (residue 25 and name HG12) 2.5 0.7 1.0
assign (residue 25 and name HG11) (residue 25 and name HG2#) 2.5 0.7 1.0
assign (residue 25 and name HG12) (residue 25 and name HN) 3.5 1.7 1.0 
assign (residue 25 and name HG11) (residue 25 and name HN) 3.5 1.7 1.0 
assign (residue 26 and name HA) (residue 25 and name HD1#) 2.5 0.7 1.0
assign (residue 26 and name HA) (residue 25 and name HG2#) 3.5 1.7 1.0
assign (residue 26 and name HA) (residue 26 and name HB#) 2.5 0.7 1.0
assign (residue 26 and name HA) (residue 26 and name HN) 2.5 0.7 1.0
assign (residue 26 and name HA) (residue 29 and name HB) 2.5 0.7 1.0
assign (residue 26 and name HA) (residue 29 and name HG1#) 2.5 0.7 1.0
assign (residue 26 and name HB#) (residue 26 and name HD#) 2.5 0.7 1.0
assign (residue 26 and name HE#) (residue 26 and name HD#) 2.5 0.7 1.0
assign (residue 26 and name HB#) (residue 26 and name HN) 2.5 0.7 1.0
assign (residue 26 and name HB#) (residue 27 and name HN) 2.5 0.7 1.0
assign (residue 27 and name HA) (residue 27 and name HG#) 2.5 0.7 1.0
assign (residue 27 and name HA) (residue 31 and name HB) 3.5 1.7 1.0 
assign (residue 27 and name HB) (residue 24 and name HA#) 3.5 1.7 1.0 
assign (residue 27 and name HB) (residue 27 and name HA) 2.5 0.7 1.0
assign (residue 27 and name HB) (residue 27 and name HG#) 2.5 0.7 1.0
assign (residue 27 and name HB) (residue 27 and name HN) 2.5 0.7 1.0
assign (residue 27 and name HG#) (residue 27 and name HN) 2.5 0.7 1.0
assign (residue 28 and name HN) (residue 29 and name HN) 2.5 0.7 1.0
assign (residue 28 and name HA#) (residue 31 and name HG1#) 4.0 1.7 1.0
assign (residue 29 and name HA) (residue 29 and name HB) 2.5 0.7 1.0
assign (residue 29 and name HA) (residue 29 and name HG2#) 2.5 0.7 1.0
assign (residue 29 and name HA) (residue 29 and name HN) 2.5 0.7 1.0
assign (residue 29 and name HB) (residue 29 and name HG2#) 2.5 0.7 1.0
assign (residue 29 and name HB) (residue 29 and name HN) 2.5 0.7 1.0
assign (residue 29 and name HB) (residue 30 and name HN) 2.5 0.7 1.0
assign (residue 29 and name HG1#) (residue 29 and name HN) 2.5 0.7 1.0
assign (residue 29 and name HG2#) (residue 29 and name HN) 2.5 0.7 1.0
assign (residue 29 and name HN) (residue 30 and name HN) 2.5 0.7 1.0
assign (residue 30 and name HG#) (residue 30 and name HB) 2.5 0.7 1.0
assign (residue 30 and name HG#) (residue 30 and name HN) 2.5 0.7 1.0
assign (residue 30 and name HG#) (residue 26 and name HE#) 3.5 1.7 1.0 
assign (residue 31 and name HA) (residue 31 and name HB) 2.5 0.7 1.0
assign (residue 31 and name HA) (residue 31 and name HG1#) 2.5 0.7 1.0
assign (residue 31 and name HA) (residue 31 and name HG2#) 2.5 0.7 1.0
assign (residue 31 and name HB) (residue 31 and name HN) 2.5 0.7 1.0
assign (residue 31 and name HG1#) (residue 31 and name HN) 2.5 0.7 1.0
assign (residue 31 and name HG2#) (residue 31 and name HN) 2.5 0.7 1.0
assign (residue 31 and name HN) (residue 30 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 32 and name HB) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 32 and name HG1#) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 32 and name HG2#) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 32 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 35 and name HB1) 2.5 0.7 1.0
assign (residue 32 and name HA) (residue 35 and name HB2) 3.5 1.7 1.0 
assign (residue 32 and name HB) (residue 32 and name HG1#) 2.5 0.7 1.0
assign (residue 32 and name HB) (residue 32 and name HG2#) 2.5 0.7 1.0
assign (residue 32 and name HB) (residue 32 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HG1#) (residue 32 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HG1#) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HG2#) (residue 32 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HN) (residue 31 and name HN) 2.5 0.7 1.0
assign (residue 32 and name HN) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 33 and name HB) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 33 and name HG1#) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 33 and name HG2#) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 36 and name HB#) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 36 and name HG#) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 36 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HA) (residue 37 and name HD2) 2.5 0.7 1.0
assign (residue 33 and name HB) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HB) (residue 34 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HG1#) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HG2#) (residue 33 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HG2#) (residue 34 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HN) (residue 34 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HA) (residue 33 and name HG2#) 2.5 0.7 1.0
assign (residue 34 and name HA) (residue 34 and name HB#) 2.5 0.7 1.0
assign (residue 34 and name HA) (residue 34 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HA) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HN) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HA) (residue 37 and name HN) 3.5 1.7 1.0 
assign (residue 34 and name HA) (residue 38 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HB#) (residue 34 and name HN) 2.5 0.7 1.0
assign (residue 34 and name HB#) (residue 38 and name HN) 3.5 1.7 1.0
assign (residue 35 and name HA) (residue 35 and name HB1) 2.5 0.7 1.0
assign (residue 35 and name HA) (residue 35 and name HD1#) 2.5 0.7 1.0
assign (residue 35 and name HA) (residue 35 and name HD2#) 5.0 3.2 1.0 
assign (residue 35 and name HA) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 35 and name HA) (residue 36 and name HN) 5.0 4.2 1.0 
assign (residue 35 and name HB1) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 35 and name HB1) (residue 36 and name HN) 2.5 0.7 1.0
assign (residue 35 and name HB2) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 35 and name HD1#) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 33 and name HG2#) (residue 37 and name HD2) 3.5 1.7 1.0 
assign (residue 35 and name HG) (residue 35 and name HB2) 2.5 0.7 1.0
assign (residue 35 and name HG) (residue 35 and name HD1#) 2.5 0.7 1.0
assign (residue 35 and name HG) (residue 35 and name HD2#) 2.5 0.7 1.0
assign (residue 36 and name HA) (residue 36 and name HB#) 2.5 0.7 1.0
assign (residue 36 and name HA) (residue 36 and name HD#) 2.5 0.7 1.0
assign (residue 36 and name HA) (residue 36 and name HG#) 2.5 0.7 1.0
assign (residue 36 and name HA) (residue 36 and name HN) 2.5 0.7 1.0
assign (residue 36 and name HA) (residue 37 and name HN) 2.5 0.7 1.0
assign (residue 36 and name HB#) (residue 36 and name HN) 2.5 0.7 1.0
assign (residue 36 and name HB#) (residue 37 and name HD2) 2.5 0.7 1.0
assign (residue 36 and name HD#) (residue 37 and name HD2) 6.0 4.2 1.0
assign (residue 36 and name HG#) (residue 37 and name HD2) 3.5 1.7 1.0 
assign (residue 36 and name HG#) (residue 36 and name HN) 2.5 0.7 1.0
assign (residue 36 and name HN) (residue 35 and name HN) 2.5 0.7 1.0
assign (residue 36 and name HN) (residue 37 and name HN) 2.5 0.7 1.0
assign (residue 37 and name HB1) (residue 37 and name HB2) 2.5 0.7 1.0
assign (residue 37 and name HB1) (residue 37 and name HN) 3.5 1.7 1.0
assign (residue 37 and name HB2) (residue 33 and name HG2#) 4.0 1.7 1.0 
assign (residue 37 and name HB2) (residue 37 and name HD2) 2.5 0.7 1.0
assign (residue 37 and name HB2) (residue 37 and name HN) 3.5 1.7 1.0
assign (residue 37 and name HN) (residue 34 and name HN) 5.0 3.2 1.0 
assign (residue 37 and name HN) (residue 38 and name HN) 2.5 0.7 1.0
assign (residue 37 and name HN) (residue 35 and name HN) 5.0 3.2 1.0
assign (residue 38 and name HB1) (residue 38 and name HB2) 2.5 0.7 1.0
assign (residue 38 and name HB1) (residue 38 and name HN) 2.5 0.7 1.0
assign (residue 38 and name HB2) (residue 38 and name HN) 2.5 0.7 1.0
assign (residue 1 and name HA) (residue 4 and name HG1#) 4.5 2.7 1.0
assign (residue 3 and name HD1) (residue 2 and name HG#) 3.5 1.7 1.0
assign (residue 4 and name HA) (residue 4 and name HB) 3.5 1.7 1.0
assign (residue 4 and name HA) (residue 7 and name HN) 5.0 3.2 1.0 
assign (residue 5 and name HA) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB2) (residue 5 and name HN) 3.5 1.7 1.0
assign (residue 5 and name HB2) (residue 6 and name HN) 3.5 1.7 1.0
assign (residue 6 and name HA) (residue 10 and name HG#) 5.0 3.2 1.0 
assign (residue 13 and name HA) (residue 14 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HA) (residue 14 and name HN) 3.5 1.7 1.0
assign (residue 14 and name HB3) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 15 and name HB2) (residue 15 and name HN) 3.5 1.7 1.0
assign (residue 16 and name HA) (residue 19 and name HN) 5.0 3.2 1.0 
assign (residue 17 and name HA) (residue 18 and name HN) 3.5 1.7 1.0
assign (residue 17 and name HA) (residue 20 and name HN) 5.0 3.2 1.0 
assign (residue 18 and name HA) (residue 21 and name HN) 5.0 3.2 1.0 
assign (residue 18 and name HB2) (residue 15 and name HN) 6.0 4.2 1.0 
assign (residue 14 and name HB2) (residue 18 and name HB2) 3.5 1.7 1.0
assign (residue 14 and name HB2) (residues 18 and name HB1) 3.5 1.7 1.0
assign (residue 20 and name HA) (residue 20 and name HE3) 4.5 2.7 1.0
assign (residue 20 and name HA) (residue 21 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HB1) (residue 20 and name HD1) 3.5 1.7 1.0
assign (residue 20 and name HB1) (residue 20 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HB2) (residue 18 and name HN) 5.0 3.2 1.0
assign (residue 20 and name HD1) (residue 21 and name HN) 3.5 1.7 1.0
assign (residue 20 and name HH2) (residue 20 and name HE1) 3.5 1.7 1.0
assign (residue 21 and name HA) (residue 24 and name HN) 3.5 1.7 1.0
assign (residue 25 and name HB) (residue 23 and name HN) 5.5 3.7 1.0
assign (residue 26 and name HA) (residue 26 and name HD#) 3.5 1.7 1.0
assign (residue 26 and name HD#) (residue 26 and name HN) 3.5 1.7 1.0
assign (residue 27 and name HA) (residue 29 and name HN) 4.0 2.2 1.0
assign (residue 27 and name HA) (residue 31 and name HN) 3.5 1.7 1.0
assign (residue 27 and name HA) (residue 30 and name HG#) 3.5 1.7 1.0
assign (residue 27 and name HA) (residue 30 and name HN) 3.5 1.7 1.0
assign (residue 29 and name HA) (residue 30 and name HN) 3.5 1.7 1.0
assign (residue 29 and name HB) (residue 30 and name HG#) 3.5 1.7 1.0
assign (residue 29 and name HG1#) (residue 30 and name HN) 3.5 1.7 1.0
assign (residue 29 and name HG2#) (residue 30 and name HN) 3.5 1.7 1.0
assign (residue 30 and name HG#) (residue 26 and name HZ) 3.5 1.7 1.0
assign (residue 31 and name HA) (residue 34 and name HB#) 6.0 4.2 1.0 
assign (residue 31 and name HA) (residue 32 and name HN) 3.5 1.7 1.0
assign (residue 32 and name HA) (residue 35 and name HN) 3.5 1.7 1.0
assign (residue 29 and name HB) (residue 25 and name HG2#) 6.0 4.2 1.0
assign (residue 32 and name HN) (residue 34 and name HN) 4.2 2.4 1.0
assign (residue 33 and name HA) (residue 34 and name HN) 3.5 1.7 1.0
assign (residue 34 and name HB#) (residue 35 and name HN) 3.5 1.7 1.0
assign (residue 34 and name HB#) (residue 37 and name HN) 3.5 1.7 1.0
assign (residue 33 and name HB) (residue 30 and name HB) 4.5 2.7 1.0 
assign (residue 35 and name HG) (residue 32 and name HG2#) 5.0 2.2 1.0
assign (residue 37 and name HB1) (residue 37 and name HA) 3.5 1.7 1.0
assign (residue 37 and name HB2) (residue 37 and name HA) 6.0 4.2 1.0
assign (residue 37 and name HB1) (residue 37 and name HD2) 3.5 1.7 1.0
assign (residue 38 and name HA) (residue 38 and name HB2) 3.5 1.7 1.0
assign (residue 38 and name HB1) (residue 34 and name HB#) 3.5 1.7 1.0
assign (residue 4 and name HG2#) (residue 5 and name HN) 5.0 3.2 1.0
assign (residue 6 and name HA) (residue 7 and name HN) 5.0 3.2 1.0
assign (residue 6 and name HA) (residue 10 and name HN) 5.0 3.2 1.0
assign (residue 6 and name HB#) (residue 10 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HA) (residue 8 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HA) (residue 10 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HG1#) (residue 6 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HG1#) (residue 8 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HG2#) (residue 7 and name HN) 5.0 3.2 1.0
assign (residue 7 and name HG2#) (residue 8 and name HN) 5.0 3.2 1.0
assign (residue 9 and name HA) (residue 10 and name HN) 5.0 3.2 1.0
assign (residue 9 and name HB#) (residue 11 and name HN) 5.0 3.2 1.0
assign (residue 11 and name HA) (residue 14 and name HB2) 5.5 3.7 1.0
assign (residue 11 and name HA) (residue 14 and name HN) 5.0 3.2 1.0
assign (residue 12 and name HN) (residue 10 and name HN) 6.0 3.2 1.0 
assign (residue 15 and name HB1) (residue 16 and name HN) 5.0 3.2 1.0
assign (residue 20 and name HA) (residue 23 and name HN) 6.0 4.2 1.0
assign (residue 20 and name HB2) (residue 20 and name HD1) 5.0 3.2 1.0
assign (residue 20 and name HD1) (residue 20 and name HN) 5.0 3.2 1.0
assign (residue 21 and name HA) (residue 21 and name HG2#) 5.0 3.2 1.0
assign (residue 21 and name HA) (residue 25 and name HG2#) 4.2 2.4 1.0
assign (residue 25 and name HA) (residue 29 and name HB) 5.0 3.2 1.0
assign (residue 26 and name HD#) (residue 27 and name HN) 5.0 3.2 1.0 
assign (residue 27 and name HA) (residue 26 and name HD#) 5.0 3.2 1.0
assign (residue 27 and name HB) (residue 30 and name HN) 5.0 3.2 1.0
assign (residue 28 and name HN) (residue 30 and name HN) 5.0 3.2 1.0
assign (residue 30 and name HG#) (residue 29 and name HN) 5.0 3.2 1.0
assign (residue 31 and name HA) (residue 34 and name HN) 5.0 3.2 1.0
assign (residue 32 and name HA) (residue 31 and name HN) 5.0 3.2 1.0
assign (residue 32 and name HG2#) (residue 35 and name HN) 5.0 3.2 1.0
assign (residue 33 and name HA) (residue 35 and name HN) 5.0 3.2 1.0
assign (residue 33 and name HN) (residue 35 and name HN) 5.0 3.2 1.0
assign (residue 34 and name HA) (residue 36 and name HN) 5.0 3.2 1.0
assign (residue 34 and name HA) (residue 38 and name HB1) 5.0 3.2 1.0
assign (residue 34 and name HA) (residue 38 and name HB2) 5.0 3.2 1.0
assign (residue 34 and name HB#) (residue 33 and name HG2#) 4.0 1.7 1.0
assign (residue 34 and name HN) (residue 38 and name HN) 5.0 3.2 1.0
assign (residue 16 and name HB#) (residue 20 and name HD1) 5.0 3.2 1.0
assign (residue 36 and name HE2) (residue 36 and name HD#) 5.0 3.2 1.0
assign (residue 36 and name HN) (residue 33 and name HN) 5.0 3.2 1.0
assign (residue 36 and name HN) (residue 38 and name HN) 5.0 3.2 1.0
assign (residue 38 and name HA) (residue 38 and name HB1) 5.0 3.2 1.0
assign (residue 3 and name HA) (residue 6 and name HN) 6.0 4.2 1.0
assign (residue 4 and name HA) (residue 8 and name HN) 6.0 4.2 1.0
assign (residue 8 and name HB#) (residue 10 and name HN) 6.0 4.2 1.0
assign (residue 16 and name HA) (residue 20 and name HN) 6.0 4.2 1.0
assign (residue 17 and name HA) (residue 20 and name HD1) 6.0 4.2 1.0
assign (residue 17 and name HB#) (residue 16 and name HN) 6.0 4.2 1.0
assign (residue 17 and name HB#) (residue 20 and name HD1) 6.0 4.2 1.0
assign (residue 20 and name HA) (residue 20 and name HD1) 6.0 4.2 1.0
assign (residue 21 and name HA) (residue 20 and name HD1) 6.0 4.2 1.0
assign (residue 25 and name HG2#) (residue 27 and name HN) 6.0 4.2 1.0
assign (residue 27 and name HG#) (residue 26 and name HE#) 6.0 4.2 1.0
assign (residue 30 and name HB) (residue 30 and name HN) 6.0 4.2 1.0
assign (residue 31 and name HA) (residue 35 and name HN) 6.0 4.2 1.0
assign (residue 32 and name HN) (residue 30 and name HN) 6.0 4.2 1.0
assign (residue 36 and name HE1) (residue 32 and name HG2#) 6.0 4.2 1.0
assign (residue 36 and name HE2) (residue 32 and name HG2#) 6.0 4.2 1.0
assign (residue 36 and name HN) (residue 34 and name HN) 6.0 4.2 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ABA   1           HT1      ABU   1   8.739 -14.037  -9.881
    2    H2   ABA   1           HT2      ABU   1   7.367 -13.918  -8.885
    3    H3   ABA   1           HT3      ABU   1   8.503 -15.155  -8.627
    4    HA   ABA   1           HA       ABU   1   8.447 -12.588  -7.510
    5    HB2  ABA   1           HB2      ABU   1  10.270 -14.993  -7.374
    6    HG1  ABA   1           HG1      ABU   1   7.871 -14.012  -6.009
    7    HG3  ABA   1           HG3      ABU   1   8.561 -15.634  -6.034
    8    HG2  ABA   1           HG2      ABU   1   9.164 -14.437  -4.888
    9    H    DBU   2           HN       DHB   2  11.073 -14.203  -9.324
   10    HB   DBU   2           HB       DHB   2  13.603 -12.596 -11.689
   11    HG1  DBU   2           HG1      DHB   2  13.573 -15.048 -11.977
   12    HG2  DBU   2           HG2      DHB   2  12.097 -14.472 -12.754
   13    HG3  DBU   2           HG3      DHB   2  12.028 -15.168 -11.135
   14    HA   PRO   3           HA       PRO   3  13.782  -8.758  -9.843
   15    HB2  PRO   3           HB2      PRO   3  11.466  -7.698 -11.396
   16    HB3  PRO   3           HB1      PRO   3  13.176  -7.272 -11.502
   17    HG2  PRO   3           HG2      PRO   3  12.052  -8.753 -13.353
   18    HG3  PRO   3           HG1      PRO   3  13.689  -9.118 -12.775
   19    HD2  PRO   3           HD2      PRO   3  11.115 -10.482 -12.123
   20    HD3  PRO   3           HD1      PRO   3  12.723 -11.178 -12.377
   21    H    VAL   4           HN       VAL   4  10.291  -9.373  -9.730
   22    HA   VAL   4           HA       VAL   4   9.574  -7.292  -7.978
   23    HB   VAL   4           HB       VAL   4   8.357  -9.958  -8.647
   24   HG11  VAL   4          HG11      VAL   4   7.902  -8.367  -6.256
   25   HG12  VAL   4          HG12      VAL   4   7.238  -9.943  -6.689
   26   HG13  VAL   4          HG13      VAL   4   6.444  -8.468  -7.243
   27   HG21  VAL   4          HG21      VAL   4   6.562  -8.412  -9.504
   28   HG22  VAL   4          HG22      VAL   4   8.121  -8.200 -10.304
   29   HG23  VAL   4          HG23      VAL   4   7.598  -7.052  -9.072
   30    H    CYS   5           HN       CYS   5   9.627 -10.731  -7.059
   31    HA   CYS   5           HA       CYS   5   9.834 -10.194  -4.286
   32    HB2  CYS   5           HB2      CYS   5  10.039 -12.552  -4.014
   33    HB3  CYS   5           HB1      CYS   5   8.966 -12.301  -5.390
   34    H    ALA   6           HN       ALA   6  12.239 -11.155  -6.707
   35    HA   ALA   6           HA       ALA   6  14.442 -11.496  -5.031
   36    HB1  ALA   6           HB1      ALA   6  14.588 -10.222  -7.766
   37    HB2  ALA   6           HB2      ALA   6  14.324 -11.950  -7.525
   38    HB3  ALA   6           HB3      ALA   6  15.817 -11.199  -6.961
   39    H    VAL   7           HN       VAL   7  13.254  -8.512  -6.574
   40    HA   VAL   7           HA       VAL   7  15.288  -6.821  -5.591
   41    HB   VAL   7           HB       VAL   7  12.467  -6.318  -6.532
   42   HG11  VAL   7          HG11      VAL   7  13.354  -3.878  -6.599
   43   HG12  VAL   7          HG12      VAL   7  14.524  -4.432  -5.401
   44   HG13  VAL   7          HG13      VAL   7  12.797  -4.519  -5.054
   45   HG21  VAL   7          HG21      VAL   7  14.356  -7.019  -8.110
   46   HG22  VAL   7          HG22      VAL   7  15.124  -5.480  -7.719
   47   HG23  VAL   7          HG23      VAL   7  13.547  -5.503  -8.508
   48    H    ALA   8           HN       ALA   8  12.067  -7.648  -4.337
   49    HA   ALA   8           HA       ALA   8  12.116  -5.923  -2.102
   50    HB1  ALA   8           HB1      ALA   8  10.030  -6.898  -2.805
   51    HB2  ALA   8           HB2      ALA   8  10.381  -7.492  -1.182
   52    HB3  ALA   8           HB3      ALA   8  10.660  -8.530  -2.580
   53    H    ALA   9           HN       ALA   9  13.278  -9.223  -2.584
   54    HA   ALA   9           HA       ALA   9  13.859  -9.813   0.119
   55    HB1  ALA   9           HB1      ALA   9  14.430 -11.792  -0.765
   56    HB2  ALA   9           HB2      ALA   9  15.739 -11.053  -1.688
   57    HB3  ALA   9           HB3      ALA   9  14.110 -11.115  -2.362
   58    H    DBU  10           HN       DHB  10  15.720  -8.218  -2.438
   59    HB   DBU  10           HB       DHB  10  19.421  -7.017  -1.867
   60    HG1  DBU  10           HG1      DHB  10  17.945  -9.132  -3.502
   61    HG2  DBU  10           HG2      DHB  10  19.393  -9.587  -2.605
   62    HG3  DBU  10           HG3      DHB  10  19.494  -8.381  -3.888
   63    H    ALA  11           HN       ALA  11  15.468  -5.850  -1.320
   64    HA   ALA  11           HA       ALA  11  16.629  -3.821   0.268
   65    HB1  ALA  11           HB1      ALA  11  14.243  -4.172  -1.147
   66    HB2  ALA  11           HB2      ALA  11  14.737  -2.731  -0.258
   67    HB3  ALA  11           HB3      ALA  11  13.742  -3.955   0.531
   68    H    ALA  12           HN       ALA  12  14.647  -6.636   1.064
   69    HA   ALA  12           HA       ALA  12  14.190  -6.003   3.783
   70    HB1  ALA  12           HB1      ALA  12  14.027  -8.630   3.901
   71    HB2  ALA  12           HB2      ALA  12  14.103  -8.506   2.144
   72    HB3  ALA  12           HB3      ALA  12  12.807  -7.701   3.030
   73    H    ALA  13           HN       ALA  13  16.805  -7.716   2.135
   74    HA   ALA  13           HA       ALA  13  18.137  -8.721   4.398
   75    HB1  ALA  13           HB1      ALA  13  19.017  -9.619   2.478
   76    HB2  ALA  13           HB2      ALA  13  20.196  -8.335   2.742
   77    HB3  ALA  13           HB3      ALA  13  18.887  -8.106   1.583
   78    H    ALA  14           HN       ALA  14  18.553  -5.656   2.640
   79    HA   ALA  14           HA       ALA  14  20.641  -4.653   4.259
   80    HB2  ALA  14           HB2      ALA  14  19.427  -3.814   1.963
   81    HB3  ALA  14           HB3      ALA  14  18.794  -2.656   3.131
   82    H    DHA  15           HN       DHA  15  17.120  -4.535   4.556
   83    HB1  DHA  15           HB1      DHA  15  14.836  -3.438   5.594
   84    HB2  DHA  15           HB2      DHA  15  15.010  -3.034   7.398
   85    H    ALA  16           HN       ALA  16  18.113  -5.516   7.524
   86    HA   ALA  16           HA       ALA  16  18.867  -3.948   9.872
   87    HB1  ALA  16           HB1      ALA  16  18.330  -6.016  10.674
   88    HB2  ALA  16           HB2      ALA  16  20.028  -6.330  10.311
   89    HB3  ALA  16           HB3      ALA  16  18.776  -6.831   9.174
   90    H    ALA  17           HN       ALA  17  20.474  -5.833   7.297
   91    HA   ALA  17           HA       ALA  17  23.122  -5.285   8.069
   92    HB1  ALA  17           HB1      ALA  17  21.848  -6.018   5.445
   93    HB2  ALA  17           HB2      ALA  17  22.852  -7.011   6.500
   94    HB3  ALA  17           HB3      ALA  17  23.579  -5.706   5.563
   95    H    CYS  18           HN       CYS  18  21.083  -3.647   5.648
   96    HA   CYS  18           HA       CYS  18  22.956  -1.658   4.949
   97    HB2  CYS  18           HB2      CYS  18  19.933  -1.716   4.821
   98    HB3  CYS  18           HB1      CYS  18  20.915  -0.427   4.129
   99    H    GLY  19           HN       GLY  19  20.371  -1.756   7.366
  100    HA2  GLY  19           HA2      GLY  19  20.811   0.941   8.270
  101    HA3  GLY  19           HA1      GLY  19  19.789  -0.267   9.043
  102    H    TRP  20           HN       TRP  20  22.106  -2.192   9.019
  103    HA   TRP  20           HA       TRP  20  23.031  -1.760  11.641
  104    HB2  TRP  20           HB2      TRP  20  22.988  -3.961  10.502
  105    HB3  TRP  20           HB1      TRP  20  24.306  -3.430   9.464
  106    HD1  TRP  20           HD1      TRP  20  24.447  -2.203  12.994
  107    HE1  TRP  20           HE1      TRP  20  26.325  -3.446  14.267
  108    HE3  TRP  20           HE3      TRP  20  25.578  -5.875   9.621
  109    HZ2  TRP  20           HZ2      TRP  20  28.045  -5.651  13.926
  110    HZ3  TRP  20           HZ3      TRP  20  27.349  -7.534  10.138
  111    HH2  TRP  20           HH2      TRP  20  28.573  -7.410  12.294
  112    H    VAL  21           HN       VAL  21  24.694  -1.351   8.526
  113    HA   VAL  21           HA       VAL  21  27.052  -0.228   9.702
  114    HB   VAL  21           HB       VAL  21  26.337   0.296   6.853
  115   HG11  VAL  21          HG11      VAL  21  28.568   0.710   8.255
  116   HG12  VAL  21          HG12      VAL  21  28.624   0.227   6.559
  117   HG13  VAL  21          HG13      VAL  21  28.854  -0.976   7.827
  118   HG21  VAL  21          HG21      VAL  21  27.453  -2.246   6.822
  119   HG22  VAL  21          HG22      VAL  21  25.756  -1.872   6.524
  120   HG23  VAL  21          HG23      VAL  21  26.285  -2.340   8.140
  121    H    GLY  22           HN       GLY  22  25.896   1.376  11.051
  122    HA2  GLY  22           HA2      GLY  22  24.896   3.720   9.590
  123    HA3  GLY  22           HA1      GLY  22  24.729   3.429  11.319
  124    H    GLY  23           HN       GLY  23  27.830   2.650  10.337
  125    HA2  GLY  23           HA2      GLY  23  28.889   5.367  10.695
  126    HA3  GLY  23           HA1      GLY  23  29.392   4.123  11.835
  127    H    GLY  24           HN       GLY  24  29.533   1.944  10.041
  128    HA2  GLY  24           HA2      GLY  24  32.152   2.257   9.021
  129    HA3  GLY  24           HA1      GLY  24  31.077   0.904   8.688
  130    H    ILE  25           HN       ILE  25  28.962   2.359   7.483
  131    HA   ILE  25           HA       ILE  25  29.901   2.501   4.809
  132    HB   ILE  25           HB       ILE  25  27.496   2.064   5.837
  133   HG12  ILE  25          HG12      ILE  25  28.183   1.832   3.457
  134   HG13  ILE  25          HG11      ILE  25  26.566   2.524   3.615
  135   HG21  ILE  25          HG21      ILE  25  27.390   5.006   5.110
  136   HG22  ILE  25          HG22      ILE  25  27.356   4.390   6.762
  137   HG23  ILE  25          HG23      ILE  25  26.043   4.004   5.650
  138   HD11  ILE  25          HD11      ILE  25  29.146   3.958   2.966
  139   HD12  ILE  25          HD12      ILE  25  27.703   4.819   3.499
  140   HD13  ILE  25          HD13      ILE  25  27.670   3.887   2.003
  141    H    PHE  26           HN       PHE  26  29.031   4.962   7.197
  142    HA   PHE  26           HA       PHE  26  29.289   7.222   5.537
  143    HB2  PHE  26           HB2      PHE  26  28.232   7.308   7.755
  144    HB3  PHE  26           HB1      PHE  26  29.791   6.981   8.515
  145    HD1  PHE  26           HD1      PHE  26  28.174   9.352   6.101
  146    HD2  PHE  26           HD2      PHE  26  31.161   8.773   9.134
  147    HE1  PHE  26           HE1      PHE  26  28.716  11.771   6.029
  148    HE2  PHE  26           HE2      PHE  26  31.703  11.193   9.062
  149    HZ   PHE  26           HZ       PHE  26  30.480  12.691   7.509
  150    H    THR  27           HN       THR  27  31.650   5.602   7.648
  151    HA   THR  27           HA       THR  27  33.794   7.372   7.159
  152    HB   THR  27           HB       THR  27  33.935   5.856   9.020
  153    HG1  THR  27           HG1      THR  27  35.773   4.597   7.395
  154   HG21  THR  27          HG21      THR  27  34.003   3.425   8.720
  155   HG22  THR  27          HG22      THR  27  33.837   3.621   6.975
  156   HG23  THR  27          HG23      THR  27  32.509   4.074   8.043
  157    H    GLY  28           HN       GLY  28  32.848   4.324   5.587
  158    HA2  GLY  28           HA2      GLY  28  35.015   4.236   3.762
  159    HA3  GLY  28           HA1      GLY  28  33.480   3.391   3.578
  160    H    VAL  29           HN       VAL  29  31.724   5.565   3.518
  161    HA   VAL  29           HA       VAL  29  31.876   6.346   0.806
  162    HB   VAL  29           HB       VAL  29  30.139   7.007   3.139
  163   HG11  VAL  29          HG11      VAL  29  30.192   9.202   2.401
  164   HG12  VAL  29          HG12      VAL  29  28.929   8.552   1.355
  165   HG13  VAL  29          HG13      VAL  29  30.572   8.746   0.740
  166   HG21  VAL  29          HG21      VAL  29  29.967   5.144   1.236
  167   HG22  VAL  29          HG22      VAL  29  29.208   6.466   0.349
  168   HG23  VAL  29          HG23      VAL  29  28.525   5.927   1.883
  169    H    DBU  30           HN       DHB  30  32.520   8.128   3.831
  170    HB   DBU  30           HB       DHB  30  33.843  11.848   3.640
  171    HG1  DBU  30           HG1      DHB  30  31.063  11.035   3.086
  172    HG2  DBU  30           HG2      DHB  30  31.600  12.429   4.022
  173    HG3  DBU  30           HG3      DHB  30  31.416  10.858   4.805
  174    H    VAL  31           HN       VAL  31  35.006   7.808   3.886
  175    HA   VAL  31           HA       VAL  31  37.587   8.879   3.483
  176    HB   VAL  31           HB       VAL  31  36.549   6.064   3.801
  177   HG11  VAL  31          HG11      VAL  31  39.358   7.082   3.358
  178   HG12  VAL  31          HG12      VAL  31  38.526   5.778   2.512
  179   HG13  VAL  31          HG13      VAL  31  39.037   5.559   4.186
  180   HG21  VAL  31          HG21      VAL  31  38.450   7.326   5.694
  181   HG22  VAL  31          HG22      VAL  31  37.010   6.361   6.022
  182   HG23  VAL  31          HG23      VAL  31  36.853   8.071   5.620
  183    H    VAL  32           HN       VAL  32  35.572   6.705   1.506
  184    HA   VAL  32           HA       VAL  32  37.452   6.331  -0.566
  185    HB   VAL  32           HB       VAL  32  34.459   6.062  -0.403
  186   HG11  VAL  32          HG11      VAL  32  36.115   6.362  -2.770
  187   HG12  VAL  32          HG12      VAL  32  34.363   6.222  -2.648
  188   HG13  VAL  32          HG13      VAL  32  35.361   4.769  -2.721
  189   HG21  VAL  32          HG21      VAL  32  36.868   4.340  -0.204
  190   HG22  VAL  32          HG22      VAL  32  35.512   3.655  -1.101
  191   HG23  VAL  32          HG23      VAL  32  35.294   4.166   0.574
  192    H    VAL  33           HN       VAL  33  34.755   8.626  -0.212
  193    HA   VAL  33           HA       VAL  33  35.108   9.878  -2.721
  194    HB   VAL  33           HB       VAL  33  33.743  11.677  -1.796
  195   HG11  VAL  33          HG11      VAL  33  33.065   8.817  -1.336
  196   HG12  VAL  33          HG12      VAL  33  32.260  10.013  -2.352
  197   HG13  VAL  33          HG13      VAL  33  31.992  10.013  -0.608
  198   HG21  VAL  33          HG21      VAL  33  34.222  10.281   0.851
  199   HG22  VAL  33          HG22      VAL  33  33.106  11.624   0.601
  200   HG23  VAL  33          HG23      VAL  33  34.840  11.869   0.390
  201    H    DAL  34           HN       DAL  34  36.327  10.629   0.521
  202    HA   DAL  34           HA       DAL  34  38.172  11.848   1.174
  203    HB1  DAL  34           HB2      DAL  34  37.808  13.648  -1.191
  204    HB2  DAL  34           HB3      DAL  34  36.544  13.586   0.019
  205    H    LEU  35           HN       LEU  35  39.522  10.067   0.638
  206    HA   LEU  35           HA       LEU  35  41.816  10.406  -0.620
  207    HB2  LEU  35           HB2      LEU  35  41.194   8.303   0.479
  208    HB3  LEU  35           HB1      LEU  35  40.146   7.892  -0.879
  209    HG   LEU  35           HG       LEU  35  42.058   7.850  -2.389
  210   HD11  LEU  35          HD11      LEU  35  43.817   9.166  -1.858
  211   HD12  LEU  35          HD12      LEU  35  44.272   7.961  -0.654
  212   HD13  LEU  35          HD13      LEU  35  43.252   9.326  -0.194
  213   HD21  LEU  35          HD21      LEU  35  42.661   5.752  -1.745
  214   HD22  LEU  35          HD22      LEU  35  41.538   6.004  -0.409
  215   HD23  LEU  35          HD23      LEU  35  43.259   6.310  -0.183
  216    H    LYS  36           HN       LYS  36  38.763   9.778  -2.317
  217    HA   LYS  36           HA       LYS  36  39.879   9.452  -4.891
  218    HB2  LYS  36           HB2      LYS  36  37.662   8.690  -4.519
  219    HB3  LYS  36           HB1      LYS  36  37.151  10.258  -3.895
  220    HG2  LYS  36           HG2      LYS  36  36.337  10.215  -6.106
  221    HG3  LYS  36           HG1      LYS  36  37.804  11.185  -6.195
  222    HD2  LYS  36           HD2      LYS  36  38.315   9.764  -7.913
  223    HD3  LYS  36           HD1      LYS  36  38.847   8.715  -6.598
  224    HE2  LYS  36           HE2      LYS  36  37.162   7.247  -6.944
  225    HE3  LYS  36           HE1      LYS  36  35.966   8.535  -7.097
  226    HZ1  LYS  36           HZ1      LYS  36  37.110   8.930  -9.358
  227    HZ2  LYS  36           HZ2      LYS  36  36.010   7.644  -9.201
  228    HZ3  LYS  36           HZ3      LYS  36  37.681   7.344  -9.170
  229    H    HIS  37           HN       HIS  37  38.499  12.293  -3.237
  230    HA   HIS  37           HA       HIS  37  39.723  14.002  -5.326
  231    HB2  HIS  37           HB2      HIS  37  37.300  14.598  -3.611
  232    HB3  HIS  37           HB1      HIS  37  37.948  15.615  -4.902
  233    HD2  HIS  37           HD2      HIS  37  35.596  12.577  -4.482
  234    HE1  HIS  37           HE1      HIS  37  36.266  13.036  -8.627
  235    HE2  HIS  37           HE2      HIS  37  34.870  11.832  -6.878
  236    H    CYS  38           HN       CYS  38  39.270  13.483  -1.896
  237    HA   CYS  38           HA       CYS  38  40.192  15.898  -0.860
  238    HB2  CYS  38           HB2      CYS  38  40.307  13.067   0.169
  239    HB3  CYS  38           HB1      CYS  38  40.944  14.416   1.096
  Start of MODEL    2
    1    H1   ABA   1           HT1      ABU   1  16.478  -8.981 -12.695
    2    H2   ABA   1           HT2      ABU   1  17.567 -10.234 -12.330
    3    H3   ABA   1           HT3      ABU   1  18.125  -8.805 -13.060
    4    HA   ABA   1           HA       ABU   1  16.948  -8.991 -10.341
    5    HB2  ABA   1           HB2      ABU   1  19.758  -8.154 -10.734
    6    HG1  ABA   1           HG1      ABU   1  20.488 -10.579 -10.837
    7    HG3  ABA   1           HG3      ABU   1  18.824 -10.990 -11.252
    8    HG2  ABA   1           HG2      ABU   1  19.773  -9.966 -12.328
    9    H    DBU   2           HN       DHB   2  19.127  -6.988 -12.359
   10    HB   DBU   2           HB       DHB   2  18.744  -3.246 -13.120
   11    HG1  DBU   2           HG1      DHB   2  19.489  -5.966 -14.340
   12    HG2  DBU   2           HG2      DHB   2  20.305  -4.440 -14.685
   13    HG3  DBU   2           HG3      DHB   2  18.655  -4.706 -15.251
   14    HA   PRO   3           HA       PRO   3  16.871  -2.136  -9.452
   15    HB2  PRO   3           HB2      PRO   3  14.111  -2.979 -10.193
   16    HB3  PRO   3           HB1      PRO   3  14.773  -1.352  -9.992
   17    HG2  PRO   3           HG2      PRO   3  14.253  -2.334 -12.376
   18    HG3  PRO   3           HG1      PRO   3  15.687  -1.328 -12.092
   19    HD2  PRO   3           HD2      PRO   3  15.482  -4.281 -12.409
   20    HD3  PRO   3           HD1      PRO   3  16.751  -3.174 -12.966
   21    H    VAL   4           HN       VAL   4  15.309  -5.300  -9.892
   22    HA   VAL   4           HA       VAL   4  14.349  -5.605  -7.250
   23    HB   VAL   4           HB       VAL   4  15.097  -7.624  -9.370
   24   HG11  VAL   4          HG11      VAL   4  15.267  -8.560  -7.047
   25   HG12  VAL   4          HG12      VAL   4  13.986  -9.300  -8.007
   26   HG13  VAL   4          HG13      VAL   4  13.587  -8.093  -6.783
   27   HG21  VAL   4          HG21      VAL   4  13.131  -5.987  -9.652
   28   HG22  VAL   4          HG22      VAL   4  12.368  -6.855  -8.319
   29   HG23  VAL   4          HG23      VAL   4  12.760  -7.703  -9.814
   30    H    CYS   5           HN       CYS   5  17.353  -6.721  -8.805
   31    HA   CYS   5           HA       CYS   5  18.415  -7.922  -6.445
   32    HB2  CYS   5           HB2      CYS   5  19.681  -7.034  -9.040
   33    HB3  CYS   5           HB1      CYS   5  20.589  -7.822  -7.747
   34    H    ALA   6           HN       ALA   6  18.842  -4.766  -7.996
   35    HA   ALA   6           HA       ALA   6  20.848  -3.795  -6.259
   36    HB1  ALA   6           HB1      ALA   6  20.414  -1.655  -7.200
   37    HB2  ALA   6           HB2      ALA   6  18.760  -2.097  -7.623
   38    HB3  ALA   6           HB3      ALA   6  20.115  -2.815  -8.494
   39    H    VAL   7           HN       VAL   7  17.302  -3.635  -6.128
   40    HA   VAL   7           HA       VAL   7  17.145  -1.954  -3.852
   41    HB   VAL   7           HB       VAL   7  15.216  -3.925  -5.086
   42   HG11  VAL   7          HG11      VAL   7  13.518  -2.998  -3.594
   43   HG12  VAL   7          HG12      VAL   7  14.722  -1.957  -2.836
   44   HG13  VAL   7          HG13      VAL   7  14.822  -3.706  -2.642
   45   HG21  VAL   7          HG21      VAL   7  14.163  -1.979  -5.978
   46   HG22  VAL   7          HG22      VAL   7  15.888  -1.722  -6.233
   47   HG23  VAL   7          HG23      VAL   7  15.063  -0.909  -4.904
   48    H    ALA   8           HN       ALA   8  17.102  -5.486  -4.247
   49    HA   ALA   8           HA       ALA   8  16.679  -6.119  -1.527
   50    HB1  ALA   8           HB1      ALA   8  17.237  -8.346  -2.112
   51    HB2  ALA   8           HB2      ALA   8  18.252  -7.822  -3.456
   52    HB3  ALA   8           HB3      ALA   8  16.499  -7.663  -3.562
   53    H    ALA   9           HN       ALA   9  19.614  -5.564  -3.417
   54    HA   ALA   9           HA       ALA   9  21.474  -6.355  -1.437
   55    HB1  ALA   9           HB1      ALA   9  22.842  -6.002  -3.172
   56    HB2  ALA   9           HB2      ALA   9  22.606  -4.264  -2.984
   57    HB3  ALA   9           HB3      ALA   9  21.548  -5.189  -4.052
   58    H    DBU  10           HN       DHB  10  19.849  -3.285  -2.110
   59    HB   DBU  10           HB       DHB  10  20.768  -0.064   0.008
   60    HG1  DBU  10           HG1      DHB  10  21.055   0.095  -2.638
   61    HG2  DBU  10           HG2      DHB  10  22.051  -1.348  -2.451
   62    HG3  DBU  10           HG3      DHB  10  22.532   0.161  -1.674
   63    H    ALA  11           HN       ALA  11  17.990  -2.934  -0.309
   64    HA   ALA  11           HA       ALA  11  17.375  -2.242   2.348
   65    HB1  ALA  11           HB1      ALA  11  15.649  -4.218   1.978
   66    HB2  ALA  11           HB2      ALA  11  16.197  -4.080   0.307
   67    HB3  ALA  11           HB3      ALA  11  15.475  -2.689   1.117
   68    H    ALA  12           HN       ALA  12  18.554  -5.285   0.940
   69    HA   ALA  12           HA       ALA  12  18.513  -6.774   3.357
   70    HB1  ALA  12           HB1      ALA  12  18.631  -7.833   1.135
   71    HB2  ALA  12           HB2      ALA  12  19.966  -8.353   2.165
   72    HB3  ALA  12           HB3      ALA  12  20.244  -7.156   0.901
   73    H    ALA  13           HN       ALA  13  20.958  -4.749   1.804
   74    HA   ALA  13           HA       ALA  13  23.128  -5.413   3.484
   75    HB1  ALA  13           HB1      ALA  13  22.469  -3.008   1.796
   76    HB2  ALA  13           HB2      ALA  13  23.681  -4.256   1.509
   77    HB3  ALA  13           HB3      ALA  13  23.929  -3.060   2.783
   78    H    ALA  14           HN       ALA  14  20.591  -2.959   3.741
   79    HA   ALA  14           HA       ALA  14  21.623  -1.631   6.016
   80    HB2  ALA  14           HB2      ALA  14  19.543  -1.174   4.322
   81    HB3  ALA  14           HB3      ALA  14  18.688  -1.740   5.757
   82    H    DHA  15           HN       DHA  15  19.540  -4.467   5.637
   83    HB1  DHA  15           HB1      DHA  15  17.696  -6.223   6.660
   84    HB2  DHA  15           HB2      DHA  15  18.125  -6.764   8.382
   85    H    ALA  16           HN       ALA  16  21.847  -5.453   7.702
   86    HA   ALA  16           HA       ALA  16  21.984  -5.344  10.623
   87    HB1  ALA  16           HB1      ALA  16  24.359  -5.681   8.819
   88    HB2  ALA  16           HB2      ALA  16  23.245  -7.024   9.085
   89    HB3  ALA  16           HB3      ALA  16  24.100  -6.304  10.449
   90    H    ALA  17           HN       ALA  17  23.467  -3.713   7.816
   91    HA   ALA  17           HA       ALA  17  24.912  -1.788   9.272
   92    HB1  ALA  17           HB1      ALA  17  24.874  -2.441   6.698
   93    HB2  ALA  17           HB2      ALA  17  25.401  -0.844   7.228
   94    HB3  ALA  17           HB3      ALA  17  23.764  -1.074   6.611
   95    H    CYS  18           HN       CYS  18  21.692  -1.568   7.765
   96    HA   CYS  18           HA       CYS  18  21.128   1.073   8.542
   97    HB2  CYS  18           HB2      CYS  18  19.355  -1.286   7.905
   98    HB3  CYS  18           HB1      CYS  18  18.713   0.313   8.280
   99    H    GLY  19           HN       GLY  19  20.642  -2.018  10.180
  100    HA2  GLY  19           HA2      GLY  19  19.281  -0.793  12.434
  101    HA3  GLY  19           HA1      GLY  19  19.733  -2.489  12.279
  102    H    TRP  20           HN       TRP  20  22.228  -2.806  12.248
  103    HA   TRP  20           HA       TRP  20  23.254  -2.050  14.744
  104    HB2  TRP  20           HB2      TRP  20  24.539  -3.158  12.254
  105    HB3  TRP  20           HB1      TRP  20  25.482  -2.799  13.698
  106    HD1  TRP  20           HD1      TRP  20  22.005  -4.465  13.257
  107    HE1  TRP  20           HE1      TRP  20  22.033  -6.690  14.586
  108    HE3  TRP  20           HE3      TRP  20  26.810  -4.458  14.992
  109    HZ2  TRP  20           HZ2      TRP  20  23.794  -8.232  16.135
  110    HZ3  TRP  20           HZ3      TRP  20  27.625  -6.334  16.396
  111    HH2  TRP  20           HH2      TRP  20  26.104  -8.213  16.957
  112    H    VAL  21           HN       VAL  21  23.727  -0.634  11.527
  113    HA   VAL  21           HA       VAL  21  24.982   1.191  10.860
  114    HB   VAL  21           HB       VAL  21  22.839   2.101  11.616
  115   HG11  VAL  21          HG11      VAL  21  24.292   2.458  14.253
  116   HG12  VAL  21          HG12      VAL  21  22.933   1.373  13.959
  117   HG13  VAL  21          HG13      VAL  21  22.701   3.120  13.876
  118   HG21  VAL  21          HG21      VAL  21  23.550   4.261  11.401
  119   HG22  VAL  21          HG22      VAL  21  25.067   3.450  11.008
  120   HG23  VAL  21          HG23      VAL  21  24.801   4.081  12.634
  121    H    GLY  22           HN       GLY  22  26.505  -0.519  12.548
  122    HA2  GLY  22           HA2      GLY  22  27.803   0.897  14.642
  123    HA3  GLY  22           HA1      GLY  22  28.425  -0.534  13.822
  124    H    GLY  23           HN       GLY  23  27.653   1.789  11.541
  125    HA2  GLY  23           HA2      GLY  23  30.373   2.962  11.602
  126    HA3  GLY  23           HA1      GLY  23  29.732   2.255  10.121
  127    H    GLY  24           HN       GLY  24  27.585   3.909  12.277
  128    HA2  GLY  24           HA2      GLY  24  26.485   5.932  12.150
  129    HA3  GLY  24           HA1      GLY  24  27.812   6.518  11.151
  130    H    ILE  25           HN       ILE  25  26.696   3.694   9.796
  131    HA   ILE  25           HA       ILE  25  25.372   3.174   8.015
  132    HB   ILE  25           HB       ILE  25  23.805   4.866   9.543
  133   HG12  ILE  25          HG12      ILE  25  23.375   2.637   8.284
  134   HG13  ILE  25          HG11      ILE  25  22.031   3.762   8.480
  135   HG21  ILE  25          HG21      ILE  25  24.317   6.780   8.099
  136   HG22  ILE  25          HG22      ILE  25  22.642   6.281   7.845
  137   HG23  ILE  25          HG23      ILE  25  23.883   5.842   6.671
  138   HD11  ILE  25          HD11      ILE  25  23.622   4.298   6.072
  139   HD12  ILE  25          HD12      ILE  25  21.874   4.135   6.245
  140   HD13  ILE  25          HD13      ILE  25  22.880   2.698   6.064
  141    H    PHE  26           HN       PHE  26  26.128   6.640   8.147
  142    HA   PHE  26           HA       PHE  26  26.211   7.029   5.355
  143    HB2  PHE  26           HB2      PHE  26  26.756   8.585   7.745
  144    HB3  PHE  26           HB1      PHE  26  27.966   8.900   6.501
  145    HD1  PHE  26           HD1      PHE  26  24.287   8.751   7.116
  146    HD2  PHE  26           HD2      PHE  26  27.447  10.198   4.592
  147    HE1  PHE  26           HE1      PHE  26  22.657  10.149   5.874
  148    HE2  PHE  26           HE2      PHE  26  25.819  11.594   3.351
  149    HZ   PHE  26           HZ       PHE  26  23.426  11.570   3.990
  150    H    THR  27           HN       THR  27  28.577   5.916   7.698
  151    HA   THR  27           HA       THR  27  30.899   6.254   6.125
  152    HB   THR  27           HB       THR  27  30.398   4.070   8.159
  153    HG1  THR  27           HG1      THR  27  30.051   6.529   8.599
  154   HG21  THR  27          HG21      THR  27  32.497   3.579   7.410
  155   HG22  THR  27          HG22      THR  27  32.954   4.897   8.488
  156   HG23  THR  27          HG23      THR  27  32.755   5.198   6.761
  157    H    GLY  28           HN       GLY  28  28.770   3.424   6.572
  158    HA2  GLY  28           HA2      GLY  28  30.148   1.781   4.691
  159    HA3  GLY  28           HA1      GLY  28  28.533   1.490   5.334
  160    H    VAL  29           HN       VAL  29  27.186   3.756   4.495
  161    HA   VAL  29           HA       VAL  29  26.578   3.125   1.804
  162    HB   VAL  29           HB       VAL  29  25.816   5.451   3.577
  163   HG11  VAL  29          HG11      VAL  29  25.723   5.327   0.758
  164   HG12  VAL  29          HG12      VAL  29  24.928   6.501   1.806
  165   HG13  VAL  29          HG13      VAL  29  24.076   5.036   1.319
  166   HG21  VAL  29          HG21      VAL  29  24.047   4.162   4.194
  167   HG22  VAL  29          HG22      VAL  29  25.014   2.815   3.596
  168   HG23  VAL  29          HG23      VAL  29  23.801   3.559   2.555
  169    H    DBU  30           HN       DHB  30  28.399   5.779   3.314
  170    HB   DBU  30           HB       DHB  30  30.045   8.572   1.048
  171    HG1  DBU  30           HG1      DHB  30  28.018   8.813   3.086
  172    HG2  DBU  30           HG2      DHB  30  27.163   8.440   1.589
  173    HG3  DBU  30           HG3      DHB  30  28.191   9.870   1.684
  174    H    VAL  31           HN       VAL  31  30.662   4.805   2.889
  175    HA   VAL  31           HA       VAL  31  33.086   4.886   1.434
  176    HB   VAL  31           HB       VAL  31  31.835   2.866   3.288
  177   HG11  VAL  31          HG11      VAL  31  33.193   1.695   1.555
  178   HG12  VAL  31          HG12      VAL  31  33.904   1.583   3.164
  179   HG13  VAL  31          HG13      VAL  31  34.568   2.713   1.983
  180   HG21  VAL  31          HG21      VAL  31  33.128   3.866   4.883
  181   HG22  VAL  31          HG22      VAL  31  33.137   5.226   3.759
  182   HG23  VAL  31          HG23      VAL  31  34.486   4.088   3.779
  183    H    VAL  32           HN       VAL  32  30.232   2.768   1.215
  184    HA   VAL  32           HA       VAL  32  31.231   1.057  -0.782
  185    HB   VAL  32           HB       VAL  32  29.044   0.981   0.727
  186   HG11  VAL  32          HG11      VAL  32  27.960   2.905  -0.315
  187   HG12  VAL  32          HG12      VAL  32  27.045   1.445  -0.689
  188   HG13  VAL  32          HG13      VAL  32  28.105   2.160  -1.905
  189   HG21  VAL  32          HG21      VAL  32  28.331  -0.255  -1.783
  190   HG22  VAL  32          HG22      VAL  32  28.901  -1.016  -0.297
  191   HG23  VAL  32          HG23      VAL  32  30.061  -0.440  -1.493
  192    H    VAL  33           HN       VAL  33  29.338   4.054  -0.990
  193    HA   VAL  33           HA       VAL  33  29.043   4.056  -3.807
  194    HB   VAL  33           HB       VAL  33  28.567   6.487  -3.497
  195   HG11  VAL  33          HG11      VAL  33  27.260   4.318  -1.899
  196   HG12  VAL  33          HG12      VAL  33  26.620   5.253  -3.251
  197   HG13  VAL  33          HG13      VAL  33  26.725   5.980  -1.647
  198   HG21  VAL  33          HG21      VAL  33  28.513   7.331  -1.155
  199   HG22  VAL  33          HG22      VAL  33  30.150   6.938  -1.686
  200   HG23  VAL  33          HG23      VAL  33  29.278   5.832  -0.624
  201    H    DAL  34           HN       DAL  34  31.450   5.507  -1.650
  202    HA   DAL  34           HA       DAL  34  33.616   6.146  -2.083
  203    HB1  DAL  34           HB2      DAL  34  32.853   7.289  -4.717
  204    HB2  DAL  34           HB3      DAL  34  31.968   7.881  -3.310
  205    H    LEU  35           HN       LEU  35  33.355   3.547  -2.584
  206    HA   LEU  35           HA       LEU  35  35.437   2.885  -4.252
  207    HB2  LEU  35           HB2      LEU  35  34.314   1.379  -2.586
  208    HB3  LEU  35           HB1      LEU  35  33.008   1.155  -3.749
  209    HG   LEU  35           HG       LEU  35  34.627   0.282  -5.399
  210   HD11  LEU  35          HD11      LEU  35  36.827  -0.222  -3.622
  211   HD12  LEU  35          HD12      LEU  35  36.478   1.506  -3.621
  212   HD13  LEU  35          HD13      LEU  35  36.827   0.680  -5.140
  213   HD21  LEU  35          HD21      LEU  35  34.604  -1.011  -2.657
  214   HD22  LEU  35          HD22      LEU  35  35.268  -1.808  -4.084
  215   HD23  LEU  35          HD23      LEU  35  33.558  -1.380  -4.027
  216    H    LYS  36           HN       LYS  36  32.390   4.053  -5.169
  217    HA   LYS  36           HA       LYS  36  32.560   2.844  -7.844
  218    HB2  LYS  36           HB2      LYS  36  30.350   4.467  -6.572
  219    HB3  LYS  36           HB1      LYS  36  30.280   3.683  -8.150
  220    HG2  LYS  36           HG2      LYS  36  30.706   2.258  -5.506
  221    HG3  LYS  36           HG1      LYS  36  29.188   2.305  -6.406
  222    HD2  LYS  36           HD2      LYS  36  30.282   1.204  -8.321
  223    HD3  LYS  36           HD1      LYS  36  31.802   1.158  -7.428
  224    HE2  LYS  36           HE2      LYS  36  30.750  -0.238  -5.692
  225    HE3  LYS  36           HE1      LYS  36  29.222  -0.185  -6.569
  226    HZ1  LYS  36           HZ1      LYS  36  30.707  -1.056  -8.508
  227    HZ2  LYS  36           HZ2      LYS  36  30.102  -2.130  -7.339
  228    HZ3  LYS  36           HZ3      LYS  36  31.709  -1.586  -7.246
  229    H    HIS  37           HN       HIS  37  32.003   6.034  -6.347
  230    HA   HIS  37           HA       HIS  37  32.907   7.311  -8.844
  231    HB2  HIS  37           HB2      HIS  37  31.637   8.642  -6.447
  232    HB3  HIS  37           HB1      HIS  37  31.809   9.290  -8.079
  233    HD2  HIS  37           HD2      HIS  37  29.583   6.645  -6.170
  234    HE1  HIS  37           HE1      HIS  37  27.936   7.247 -10.012
  235    HE2  HIS  37           HE2      HIS  37  27.579   6.127  -7.761
  236    H    CYS  38           HN       CYS  38  33.985   6.568  -5.712
  237    HA   CYS  38           HA       CYS  38  35.878   8.769  -5.541
  238    HB2  CYS  38           HB2      CYS  38  35.381   6.393  -3.725
  239    HB3  CYS  38           HB1      CYS  38  36.542   7.683  -3.408
  Start of MODEL    3
    1    H1   ABA   1           HT1      ABU   1   3.258 -13.566  -6.432
    2    H2   ABA   1           HT2      ABU   1   3.694 -15.059  -5.748
    3    H3   ABA   1           HT3      ABU   1   4.254 -14.633  -7.295
    4    HA   ABA   1           HA       ABU   1   5.551 -12.823  -6.361
    5    HB2  ABA   1           HB2      ABU   1   5.226 -13.809  -3.593
    6    HG1  ABA   1           HG1      ABU   1   3.133 -12.560  -3.216
    7    HG3  ABA   1           HG3      ABU   1   3.019 -12.217  -4.943
    8    HG2  ABA   1           HG2      ABU   1   2.870 -13.876  -4.361
    9    H    DBU   2           HN       DHB   2   5.424 -15.560  -4.080
   10    HB   DBU   2           HB       DHB   2   7.826 -18.593  -4.120
   11    HG1  DBU   2           HG1      DHB   2   5.282 -18.614  -3.115
   12    HG2  DBU   2           HG2      DHB   2   5.688 -19.644  -4.489
   13    HG3  DBU   2           HG3      DHB   2   4.899 -18.089  -4.755
   14    HA   PRO   3           HA       PRO   3  11.369 -16.344  -4.843
   15    HB2  PRO   3           HB2      PRO   3  11.042 -16.139  -7.804
   16    HB3  PRO   3           HB1      PRO   3  12.230 -17.051  -6.870
   17    HG2  PRO   3           HG2      PRO   3  10.248 -18.282  -8.051
   18    HG3  PRO   3           HG1      PRO   3  10.747 -18.757  -6.414
   19    HD2  PRO   3           HD2      PRO   3   8.410 -17.106  -7.267
   20    HD3  PRO   3           HD1      PRO   3   8.504 -18.344  -6.004
   21    H    VAL   4           HN       VAL   4   9.233 -14.540  -7.047
   22    HA   VAL   4           HA       VAL   4  10.852 -12.239  -7.298
   23    HB   VAL   4           HB       VAL   4   7.863 -12.621  -7.563
   24   HG11  VAL   4          HG11      VAL   4   9.577 -10.207  -7.699
   25   HG12  VAL   4          HG12      VAL   4   7.849 -10.344  -7.377
   26   HG13  VAL   4          HG13      VAL   4   8.446 -10.412  -9.035
   27   HG21  VAL   4          HG21      VAL   4   8.265 -13.038  -9.798
   28   HG22  VAL   4          HG22      VAL   4   9.772 -13.661  -9.127
   29   HG23  VAL   4          HG23      VAL   4   9.721 -12.044  -9.829
   30    H    CYS   5           HN       CYS   5   8.147 -12.990  -5.108
   31    HA   CYS   5           HA       CYS   5   8.269 -10.494  -3.728
   32    HB2  CYS   5           HB2      CYS   5   7.036 -13.158  -3.006
   33    HB3  CYS   5           HB1      CYS   5   6.868 -11.705  -2.018
   34    H    ALA   6           HN       ALA   6   9.569 -13.729  -3.080
   35    HA   ALA   6           HA       ALA   6  10.683 -13.131  -0.545
   36    HB1  ALA   6           HB1      ALA   6  12.132 -15.155  -1.042
   37    HB2  ALA   6           HB2      ALA   6  11.325 -15.240  -2.607
   38    HB3  ALA   6           HB3      ALA   6  10.391 -15.425  -1.122
   39    H    VAL   7           HN       VAL   7  12.034 -13.037  -3.829
   40    HA   VAL   7           HA       VAL   7  14.680 -12.376  -3.059
   41    HB   VAL   7           HB       VAL   7  13.653 -13.144  -5.374
   42   HG11  VAL   7          HG11      VAL   7  12.290 -11.177  -5.768
   43   HG12  VAL   7          HG12      VAL   7  13.601 -11.191  -6.944
   44   HG13  VAL   7          HG13      VAL   7  13.681 -10.119  -5.546
   45   HG21  VAL   7          HG21      VAL   7  16.104 -12.592  -4.582
   46   HG22  VAL   7          HG22      VAL   7  15.879 -11.133  -5.545
   47   HG23  VAL   7          HG23      VAL   7  15.753 -12.719  -6.305
   48    H    ALA   8           HN       ALA   8  11.882 -10.403  -3.957
   49    HA   ALA   8           HA       ALA   8  13.186  -7.894  -3.876
   50    HB1  ALA   8           HB1      ALA   8  10.900  -8.427  -4.864
   51    HB2  ALA   8           HB2      ALA   8  11.009  -6.935  -3.930
   52    HB3  ALA   8           HB3      ALA   8  10.279  -8.372  -3.214
   53    H    ALA   9           HN       ALA   9  11.571  -9.828  -1.399
   54    HA   ALA   9           HA       ALA   9  11.554  -7.878   0.646
   55    HB1  ALA   9           HB1      ALA   9  10.190  -9.759   1.020
   56    HB2  ALA   9           HB2      ALA   9  11.523  -9.970   2.156
   57    HB3  ALA   9           HB3      ALA   9  11.493 -10.888   0.651
   58    H    DBU  10           HN       DHB  10  13.980 -10.251  -0.372
   59    HB   DBU  10           HB       DHB  10  17.398 -10.679   1.514
   60    HG1  DBU  10           HG1      DHB  10  16.182 -12.894   0.937
   61    HG2  DBU  10           HG2      DHB  10  14.682 -12.114   1.437
   62    HG3  DBU  10           HG3      DHB  10  15.959 -12.410   2.617
   63    H    ALA  11           HN       ALA  11  15.757  -8.487  -1.462
   64    HA   ALA  11           HA       ALA  11  17.938  -6.760  -0.978
   65    HB1  ALA  11           HB1      ALA  11  15.705  -6.124  -2.896
   66    HB2  ALA  11           HB2      ALA  11  16.847  -7.428  -3.221
   67    HB3  ALA  11           HB3      ALA  11  17.426  -5.771  -3.050
   68    H    ALA  12           HN       ALA  12  14.455  -6.381  -0.536
   69    HA   ALA  12           HA       ALA  12  14.447  -3.608   0.009
   70    HB1  ALA  12           HB1      ALA  12  12.517  -5.511  -0.277
   71    HB2  ALA  12           HB2      ALA  12  12.226  -3.894   0.363
   72    HB3  ALA  12           HB3      ALA  12  12.477  -5.248   1.466
   73    H    ALA  13           HN       ALA  13  14.924  -6.446   2.060
   74    HA   ALA  13           HA       ALA  13  14.823  -5.156   4.562
   75    HB1  ALA  13           HB1      ALA  13  14.753  -7.539   4.524
   76    HB2  ALA  13           HB2      ALA  13  16.276  -7.109   5.301
   77    HB3  ALA  13           HB3      ALA  13  16.263  -7.637   3.618
   78    H    ALA  14           HN       ALA  14  17.587  -5.873   2.429
   79    HA   ALA  14           HA       ALA  14  19.567  -4.754   4.098
   80    HB2  ALA  14           HB2      ALA  14  20.463  -6.076   2.418
   81    HB3  ALA  14           HB3      ALA  14  19.400  -5.405   1.180
   82    H    DHA  15           HN       DHA  15  17.726  -3.363   1.376
   83    HB1  DHA  15           HB1      DHA  15  17.393  -1.393  -0.494
   84    HB2  DHA  15           HB2      DHA  15  17.473   0.296   0.267
   85    H    ALA  16           HN       ALA  16  17.093  -1.640   3.903
   86    HA   ALA  16           HA       ALA  16  17.911   0.960   4.900
   87    HB1  ALA  16           HB1      ALA  16  16.921  -1.060   6.812
   88    HB2  ALA  16           HB2      ALA  16  15.810  -0.662   5.501
   89    HB3  ALA  16           HB3      ALA  16  16.409   0.610   6.567
   90    H    ALA  17           HN       ALA  17  18.599  -2.453   5.705
   91    HA   ALA  17           HA       ALA  17  20.719  -1.728   7.520
   92    HB1  ALA  17           HB1      ALA  17  19.675  -4.320   6.409
   93    HB2  ALA  17           HB2      ALA  17  19.667  -3.747   8.077
   94    HB3  ALA  17           HB3      ALA  17  21.177  -4.273   7.333
   95    H    CYS  18           HN       CYS  18  20.937  -3.903   4.709
   96    HA   CYS  18           HA       CYS  18  23.694  -3.582   4.338
   97    HB2  CYS  18           HB2      CYS  18  23.412  -4.758   2.317
   98    HB3  CYS  18           HB1      CYS  18  22.127  -5.359   3.359
   99    H    GLY  19           HN       GLY  19  20.969  -2.001   2.747
  100    HA2  GLY  19           HA2      GLY  19  22.358  -0.427   0.910
  101    HA3  GLY  19           HA1      GLY  19  20.806   0.008   1.620
  102    H    TRP  20           HN       TRP  20  21.521   0.268   4.312
  103    HA   TRP  20           HA       TRP  20  22.621   2.887   4.347
  104    HB2  TRP  20           HB2      TRP  20  21.917   0.872   6.462
  105    HB3  TRP  20           HB1      TRP  20  22.757   2.358   6.895
  106    HD1  TRP  20           HD1      TRP  20  20.099   2.038   4.157
  107    HE1  TRP  20           HE1      TRP  20  18.104   3.570   4.780
  108    HE3  TRP  20           HE3      TRP  20  21.555   3.623   8.791
  109    HZ2  TRP  20           HZ2      TRP  20  17.245   5.211   6.901
  110    HZ3  TRP  20           HZ3      TRP  20  20.115   5.177  10.084
  111    HH2  TRP  20           HH2      TRP  20  17.965   5.960   9.125
  112    H    VAL  21           HN       VAL  21  23.930  -0.267   5.304
  113    HA   VAL  21           HA       VAL  21  26.510   0.841   5.955
  114    HB   VAL  21           HB       VAL  21  26.047  -1.062   7.218
  115   HG11  VAL  21          HG11      VAL  21  24.538  -1.836   4.849
  116   HG12  VAL  21          HG12      VAL  21  24.323  -2.341   6.524
  117   HG13  VAL  21          HG13      VAL  21  25.474  -3.184   5.490
  118   HG21  VAL  21          HG21      VAL  21  28.252  -1.114   5.828
  119   HG22  VAL  21          HG22      VAL  21  27.460  -2.409   4.930
  120   HG23  VAL  21          HG23      VAL  21  27.746  -2.584   6.661
  121    H    GLY  22           HN       GLY  22  25.955  -1.897   3.773
  122    HA2  GLY  22           HA2      GLY  22  27.108  -2.499   1.859
  123    HA3  GLY  22           HA1      GLY  22  26.570  -0.913   1.317
  124    H    GLY  23           HN       GLY  23  28.623  -0.855   4.049
  125    HA2  GLY  23           HA2      GLY  23  30.850  -0.322   4.350
  126    HA3  GLY  23           HA1      GLY  23  31.148  -0.862   2.700
  127    H    GLY  24           HN       GLY  24  28.673   1.236   2.434
  128    HA2  GLY  24           HA2      GLY  24  30.188   3.260   1.169
  129    HA3  GLY  24           HA1      GLY  24  28.482   3.366   1.590
  130    H    ILE  25           HN       ILE  25  28.857   2.952   4.423
  131    HA   ILE  25           HA       ILE  25  29.160   5.597   5.287
  132    HB   ILE  25           HB       ILE  25  27.926   4.095   6.644
  133   HG12  ILE  25          HG12      ILE  25  28.871   4.468   8.786
  134   HG13  ILE  25          HG11      ILE  25  30.518   4.396   8.157
  135   HG21  ILE  25          HG21      ILE  25  30.300   2.412   7.305
  136   HG22  ILE  25          HG22      ILE  25  29.471   2.123   5.777
  137   HG23  ILE  25          HG23      ILE  25  28.591   1.983   7.297
  138   HD11  ILE  25          HD11      ILE  25  30.425   6.532   7.282
  139   HD12  ILE  25          HD12      ILE  25  29.362   6.732   8.674
  140   HD13  ILE  25          HD13      ILE  25  28.676   6.488   7.068
  141    H    PHE  26           HN       PHE  26  31.352   2.851   5.779
  142    HA   PHE  26           HA       PHE  26  33.450   4.346   6.933
  143    HB2  PHE  26           HB2      PHE  26  33.313   1.891   7.095
  144    HB3  PHE  26           HB1      PHE  26  33.617   1.758   5.363
  145    HD1  PHE  26           HD1      PHE  26  35.071   3.085   8.537
  146    HD2  PHE  26           HD2      PHE  26  35.822   1.763   4.521
  147    HE1  PHE  26           HE1      PHE  26  37.512   3.198   8.957
  148    HE2  PHE  26           HE2      PHE  26  38.263   1.875   4.940
  149    HZ   PHE  26           HZ       PHE  26  39.109   2.593   7.158
  150    H    THR  27           HN       THR  27  32.850   3.349   3.575
  151    HA   THR  27           HA       THR  27  35.215   4.382   2.452
  152    HB   THR  27           HB       THR  27  32.511   4.248   1.101
  153    HG1  THR  27           HG1      THR  27  33.687   2.313   2.292
  154   HG21  THR  27          HG21      THR  27  35.336   4.565   0.239
  155   HG22  THR  27          HG22      THR  27  33.858   5.182  -0.497
  156   HG23  THR  27          HG23      THR  27  34.329   3.501  -0.742
  157    H    GLY  28           HN       GLY  28  31.992   5.853   2.832
  158    HA2  GLY  28           HA2      GLY  28  32.652   8.339   1.650
  159    HA3  GLY  28           HA1      GLY  28  31.308   8.053   2.751
  160    H    VAL  29           HN       VAL  29  32.789   7.141   4.980
  161    HA   VAL  29           HA       VAL  29  33.460   9.580   6.229
  162    HB   VAL  29           HB       VAL  29  33.887   6.686   6.968
  163   HG11  VAL  29          HG11      VAL  29  34.890   7.269   8.962
  164   HG12  VAL  29          HG12      VAL  29  34.217   8.899   8.950
  165   HG13  VAL  29          HG13      VAL  29  35.579   8.500   7.907
  166   HG21  VAL  29          HG21      VAL  29  31.999   6.971   8.321
  167   HG22  VAL  29          HG22      VAL  29  31.592   7.962   6.921
  168   HG23  VAL  29          HG23      VAL  29  32.194   8.722   8.394
  169    H    DBU  30           HN       DHB  30  35.476   6.921   4.961
  170    HB   DBU  30           HB       DHB  30  39.422   7.283   5.119
  171    HG1  DBU  30           HG1      DHB  30  39.249   6.051   7.119
  172    HG2  DBU  30           HG2      DHB  30  37.767   5.365   6.450
  173    HG3  DBU  30           HG3      DHB  30  37.694   6.805   7.469
  174    H    VAL  31           HN       VAL  31  35.849   8.032   2.840
  175    HA   VAL  31           HA       VAL  31  37.698   9.149   1.002
  176    HB   VAL  31           HB       VAL  31  34.755   8.675   1.074
  177   HG11  VAL  31          HG11      VAL  31  36.131  10.440  -0.975
  178   HG12  VAL  31          HG12      VAL  31  34.969  10.996   0.228
  179   HG13  VAL  31          HG13      VAL  31  34.458   9.887  -1.044
  180   HG21  VAL  31          HG21      VAL  31  35.272   7.124  -0.523
  181   HG22  VAL  31          HG22      VAL  31  36.900   7.288   0.132
  182   HG23  VAL  31          HG23      VAL  31  36.438   8.183  -1.316
  183    H    VAL  32           HN       VAL  32  35.113  10.587   2.992
  184    HA   VAL  32           HA       VAL  32  35.410  13.231   2.078
  185    HB   VAL  32           HB       VAL  32  34.362  12.084   4.665
  186   HG11  VAL  32          HG11      VAL  32  34.901  14.866   3.839
  187   HG12  VAL  32          HG12      VAL  32  34.684  14.192   5.453
  188   HG13  VAL  32          HG13      VAL  32  33.277  14.577   4.462
  189   HG21  VAL  32          HG21      VAL  32  32.202  12.518   3.678
  190   HG22  VAL  32          HG22      VAL  32  33.159  11.649   2.478
  191   HG23  VAL  32          HG23      VAL  32  32.933  13.392   2.333
  192    H    VAL  33           HN       VAL  33  36.789  11.586   4.918
  193    HA   VAL  33           HA       VAL  33  38.217  13.786   5.942
  194    HB   VAL  33           HB       VAL  33  38.027  11.940   7.386
  195   HG11  VAL  33          HG11      VAL  33  39.471   9.906   5.900
  196   HG12  VAL  33          HG12      VAL  33  38.042  10.442   5.029
  197   HG13  VAL  33          HG13      VAL  33  37.887   9.807   6.662
  198   HG21  VAL  33          HG21      VAL  33  40.780  11.374   6.376
  199   HG22  VAL  33          HG22      VAL  33  40.229  11.568   8.042
  200   HG23  VAL  33          HG23      VAL  33  40.422  12.981   7.002
  201    H    DAL  34           HN       DAL  34  39.409  11.062   4.005
  202    HA   DAL  34           HA       DAL  34  41.120  10.954   2.470
  203    HB1  DAL  34           HB2      DAL  34  42.635  13.110   3.827
  204    HB2  DAL  34           HB3      DAL  34  42.246  11.697   4.776
  205    H    LEU  35           HN       LEU  35  39.014  12.437   1.646
  206    HA   LEU  35           HA       LEU  35  39.969  13.939  -0.456
  207    HB2  LEU  35           HB2      LEU  35  37.629  13.080  -0.187
  208    HB3  LEU  35           HB1      LEU  35  37.331  14.383   0.963
  209    HG   LEU  35           HG       LEU  35  37.911  16.041  -0.779
  210   HD11  LEU  35          HD11      LEU  35  39.056  15.398  -2.608
  211   HD12  LEU  35          HD12      LEU  35  37.740  14.321  -3.074
  212   HD13  LEU  35          HD13      LEU  35  39.025  13.737  -2.016
  213   HD21  LEU  35          HD21      LEU  35  35.554  14.980  -0.468
  214   HD22  LEU  35          HD22      LEU  35  35.903  14.126  -1.971
  215   HD23  LEU  35          HD23      LEU  35  35.859  15.889  -1.947
  216    H    LYS  36           HN       LYS  36  39.934  14.748   2.860
  217    HA   LYS  36           HA       LYS  36  40.108  17.635   2.283
  218    HB2  LYS  36           HB2      LYS  36  39.797  16.134   4.888
  219    HB3  LYS  36           HB1      LYS  36  39.928  17.889   4.750
  220    HG2  LYS  36           HG2      LYS  36  37.809  16.223   3.366
  221    HG3  LYS  36           HG1      LYS  36  37.557  17.098   4.877
  222    HD2  LYS  36           HD2      LYS  36  38.136  19.215   3.747
  223    HD3  LYS  36           HD1      LYS  36  38.375  18.339   2.234
  224    HE2  LYS  36           HE2      LYS  36  36.029  17.610   2.264
  225    HE3  LYS  36           HE1      LYS  36  35.779  18.448   3.796
  226    HZ1  LYS  36           HZ1      LYS  36  35.256  20.213   2.583
  227    HZ2  LYS  36           HZ2      LYS  36  35.804  19.496   1.144
  228    HZ3  LYS  36           HZ3      LYS  36  36.891  20.326   2.151
  229    H    HIS  37           HN       HIS  37  41.835  15.133   4.159
  230    HA   HIS  37           HA       HIS  37  44.214  16.869   4.204
  231    HB2  HIS  37           HB2      HIS  37  43.609  14.306   5.697
  232    HB3  HIS  37           HB1      HIS  37  45.054  15.298   5.906
  233    HD2  HIS  37           HD2      HIS  37  41.270  15.344   6.915
  234    HE1  HIS  37           HE1      HIS  37  43.085  18.785   8.561
  235    HE2  HIS  37           HE2      HIS  37  40.968  17.383   8.522
  236    H    CYS  38           HN       CYS  38  42.970  14.143   2.587
  237    HA   CYS  38           HA       CYS  38  45.573  13.065   1.867
  238    HB2  CYS  38           HB2      CYS  38  42.775  12.218   1.075
  239    HB3  CYS  38           HB1      CYS  38  44.254  11.364   0.665
  Start of MODEL    4
    1    H1   ABA   1           HT1      ABU   1   6.350 -13.447  -7.706
    2    H2   ABA   1           HT2      ABU   1   7.510 -14.602  -8.158
    3    H3   ABA   1           HT3      ABU   1   7.264 -13.221  -9.117
    4    HA   ABA   1           HA       ABU   1   7.943 -11.882  -7.088
    5    HB2  ABA   1           HB2      ABU   1   9.545 -14.215  -6.229
    6    HG1  ABA   1           HG1      ABU   1   7.500 -14.848  -4.712
    7    HG3  ABA   1           HG3      ABU   1   6.546 -14.123  -6.006
    8    HG2  ABA   1           HG2      ABU   1   7.591 -15.502  -6.346
    9    H    DBU   2           HN       DHB   2   9.954 -14.671  -8.079
   10    HB   DBU   2           HB       DHB   2  12.830 -14.586 -10.642
   11    HG1  DBU   2           HG1      DHB   2  10.566 -15.878 -11.358
   12    HG2  DBU   2           HG2      DHB   2  10.535 -16.321  -9.651
   13    HG3  DBU   2           HG3      DHB   2  11.890 -16.816 -10.666
   14    HA   PRO   3           HA       PRO   3  14.290 -10.709  -9.620
   15    HB2  PRO   3           HB2      PRO   3  12.310  -9.124 -11.181
   16    HB3  PRO   3           HB1      PRO   3  14.032  -9.367 -11.472
   17    HG2  PRO   3           HG2      PRO   3  12.215 -10.565 -12.955
   18    HG3  PRO   3           HG1      PRO   3  13.711 -11.397 -12.483
   19    HD2  PRO   3           HD2      PRO   3  10.954 -11.718 -11.398
   20    HD3  PRO   3           HD1      PRO   3  12.212 -12.937 -11.648
   21    H    VAL   4           HN       VAL   4  10.818  -9.990  -9.279
   22    HA   VAL   4           HA       VAL   4  11.091  -7.635  -7.740
   23    HB   VAL   4           HB       VAL   4   8.859  -9.671  -7.897
   24   HG11  VAL   4          HG11      VAL   4   7.899  -8.623  -6.154
   25   HG12  VAL   4          HG12      VAL   4   7.932  -7.117  -7.069
   26   HG13  VAL   4          HG13      VAL   4   9.283  -7.538  -6.017
   27   HG21  VAL   4          HG21      VAL   4   7.855  -8.140  -9.434
   28   HG22  VAL   4          HG22      VAL   4   9.537  -8.284  -9.942
   29   HG23  VAL   4          HG23      VAL   4   9.009  -6.868  -9.032
   30    H    CYS   5           HN       CYS   5  10.598 -11.027  -6.768
   31    HA   CYS   5           HA       CYS   5  10.671 -10.487  -3.967
   32    HB2  CYS   5           HB2      CYS   5  11.037 -13.026  -5.564
   33    HB3  CYS   5           HB1      CYS   5  11.031 -12.981  -3.800
   34    H    ALA   6           HN       ALA   6  13.083 -11.573  -6.323
   35    HA   ALA   6           HA       ALA   6  15.191 -12.059  -4.524
   36    HB1  ALA   6           HB1      ALA   6  16.603 -11.432  -6.643
   37    HB2  ALA   6           HB2      ALA   6  15.032 -11.403  -7.446
   38    HB3  ALA   6           HB3      ALA   6  15.594 -12.879  -6.663
   39    H    VAL   7           HN       VAL   7  14.264  -9.106  -6.287
   40    HA   VAL   7           HA       VAL   7  16.415  -7.513  -5.376
   41    HB   VAL   7           HB       VAL   7  13.662  -6.822  -6.414
   42   HG11  VAL   7          HG11      VAL   7  15.972  -4.911  -6.018
   43   HG12  VAL   7          HG12      VAL   7  14.678  -5.092  -4.834
   44   HG13  VAL   7          HG13      VAL   7  14.309  -4.526  -6.462
   45   HG21  VAL   7          HG21      VAL   7  16.436  -6.566  -7.623
   46   HG22  VAL   7          HG22      VAL   7  14.908  -6.214  -8.431
   47   HG23  VAL   7          HG23      VAL   7  15.305  -7.871  -7.979
   48    H    ALA   8           HN       ALA   8  13.106  -7.984  -4.173
   49    HA   ALA   8           HA       ALA   8  13.235  -6.094  -2.079
   50    HB1  ALA   8           HB1      ALA   8  11.573  -8.598  -2.418
   51    HB2  ALA   8           HB2      ALA   8  11.094  -6.937  -2.770
   52    HB3  ALA   8           HB3      ALA   8  11.348  -7.446  -1.100
   53    H    ALA   9           HN       ALA   9  14.150  -9.496  -2.278
   54    HA   ALA   9           HA       ALA   9  14.588  -9.937   0.480
   55    HB1  ALA   9           HB1      ALA   9  16.443 -11.477  -1.029
   56    HB2  ALA   9           HB2      ALA   9  14.952 -11.376  -1.964
   57    HB3  ALA   9           HB3      ALA   9  14.919 -12.004  -0.316
   58    H    DBU  10           HN       DHB  10  16.689  -8.717  -2.108
   59    HB   DBU  10           HB       DHB  10  20.464  -7.816  -1.321
   60    HG1  DBU  10           HG1      DHB  10  19.428 -10.568  -1.639
   61    HG2  DBU  10           HG2      DHB  10  20.953  -9.924  -2.246
   62    HG3  DBU  10           HG3      DHB  10  19.478  -9.736  -3.193
   63    H    ALA  11           HN       ALA  11  16.749  -6.178  -1.719
   64    HA   ALA  11           HA       ALA  11  17.904  -3.993  -0.352
   65    HB1  ALA  11           HB1      ALA  11  14.982  -4.236  -1.071
   66    HB2  ALA  11           HB2      ALA  11  16.230  -3.927  -2.278
   67    HB3  ALA  11           HB3      ALA  11  15.960  -2.773  -0.971
   68    H    ALA  12           HN       ALA  12  15.423  -6.333   0.559
   69    HA   ALA  12           HA       ALA  12  14.512  -5.059   2.903
   70    HB1  ALA  12           HB1      ALA  12  14.652  -8.007   2.223
   71    HB2  ALA  12           HB2      ALA  12  13.297  -6.923   1.907
   72    HB3  ALA  12           HB3      ALA  12  13.737  -7.324   3.567
   73    H    ALA  13           HN       ALA  13  17.170  -7.334   2.333
   74    HA   ALA  13           HA       ALA  13  17.899  -7.776   5.013
   75    HB1  ALA  13           HB1      ALA  13  20.257  -7.759   3.441
   76    HB2  ALA  13           HB2      ALA  13  18.960  -8.361   2.411
   77    HB3  ALA  13           HB3      ALA  13  19.307  -9.155   3.946
   78    H    ALA  14           HN       ALA  14  19.100  -5.375   2.666
   79    HA   ALA  14           HA       ALA  14  20.892  -4.108   4.472
   80    HB2  ALA  14           HB2      ALA  14  20.523  -3.966   1.801
   81    HB3  ALA  14           HB3      ALA  14  19.706  -2.483   2.298
   82    H    DHA  15           HN       DHA  15  17.506  -3.525   3.597
   83    HB1  DHA  15           HB1      DHA  15  15.371  -1.782   3.492
   84    HB2  DHA  15           HB2      DHA  15  15.072  -0.962   5.129
   85    H    ALA  16           HN       ALA  16  17.673  -3.802   6.689
   86    HA   ALA  16           HA       ALA  16  17.724  -1.918   8.926
   87    HB1  ALA  16           HB1      ALA  16  17.967  -4.916   8.719
   88    HB2  ALA  16           HB2      ALA  16  16.701  -3.971   9.504
   89    HB3  ALA  16           HB3      ALA  16  18.313  -4.050  10.216
   90    H    ALA  17           HN       ALA  17  19.927  -4.374   7.549
   91    HA   ALA  17           HA       ALA  17  22.211  -3.534   8.972
   92    HB1  ALA  17           HB1      ALA  17  22.515  -4.716   6.251
   93    HB2  ALA  17           HB2      ALA  17  21.707  -5.678   7.489
   94    HB3  ALA  17           HB3      ALA  17  23.356  -5.110   7.750
   95    H    CYS  18           HN       CYS  18  21.142  -2.773   5.665
   96    HA   CYS  18           HA       CYS  18  23.290  -1.126   4.950
   97    HB2  CYS  18           HB2      CYS  18  20.410  -1.170   4.052
   98    HB3  CYS  18           HB1      CYS  18  21.628  -0.117   3.336
   99    H    GLY  19           HN       GLY  19  20.330  -0.454   6.719
  100    HA2  GLY  19           HA2      GLY  19  20.764   2.402   6.784
  101    HA3  GLY  19           HA1      GLY  19  19.520   1.514   7.655
  102    H    TRP  20           HN       TRP  20  20.974  -0.253   9.148
  103    HA   TRP  20           HA       TRP  20  21.836   1.344  11.315
  104    HB2  TRP  20           HB2      TRP  20  22.179  -1.611  10.760
  105    HB3  TRP  20           HB1      TRP  20  22.589  -0.840  12.291
  106    HD1  TRP  20           HD1      TRP  20  19.909  -2.717  10.882
  107    HE1  TRP  20           HE1      TRP  20  17.634  -2.164  12.007
  108    HE3  TRP  20           HE3      TRP  20  21.086   1.644  13.260
  109    HZ2  TRP  20           HZ2      TRP  20  16.482  -0.179  13.656
  110    HZ3  TRP  20           HZ3      TRP  20  19.378   2.845  14.599
  111    HH2  TRP  20           HH2      TRP  20  17.081   1.916  14.783
  112    H    VAL  21           HN       VAL  21  23.663  -0.721   9.052
  113    HA   VAL  21           HA       VAL  21  26.187  -0.672   9.826
  114    HB   VAL  21           HB       VAL  21  26.831   0.002   7.420
  115   HG11  VAL  21          HG11      VAL  21  26.820  -2.256   7.406
  116   HG12  VAL  21          HG12      VAL  21  25.185  -2.143   6.755
  117   HG13  VAL  21          HG13      VAL  21  25.432  -2.322   8.492
  118   HG21  VAL  21          HG21      VAL  21  24.293  -0.499   6.299
  119   HG22  VAL  21          HG22      VAL  21  25.214   1.000   6.212
  120   HG23  VAL  21          HG23      VAL  21  24.048   0.753   7.511
  121    H    GLY  22           HN       GLY  22  26.625   0.959  11.343
  122    HA2  GLY  22           HA2      GLY  22  26.639   3.743  10.464
  123    HA3  GLY  22           HA1      GLY  22  27.005   3.156  12.083
  124    H    GLY  23           HN       GLY  23  28.828   1.082  10.851
  125    HA2  GLY  23           HA2      GLY  23  31.175   2.845  10.620
  126    HA3  GLY  23           HA1      GLY  23  31.208   1.134  11.040
  127    H    GLY  24           HN       GLY  24  29.711  -0.006   9.056
  128    HA2  GLY  24           HA2      GLY  24  31.539  -0.184   6.912
  129    HA3  GLY  24           HA1      GLY  24  29.908  -0.848   6.923
  130    H    ILE  25           HN       ILE  25  28.445   1.529   7.250
  131    HA   ILE  25           HA       ILE  25  28.293   2.444   4.571
  132    HB   ILE  25           HB       ILE  25  26.529   2.426   6.552
  133   HG12  ILE  25          HG12      ILE  25  26.167   3.003   4.126
  134   HG13  ILE  25          HG11      ILE  25  25.168   3.945   5.235
  135   HG21  ILE  25          HG21      ILE  25  27.744   5.202   6.651
  136   HG22  ILE  25          HG22      ILE  25  27.708   4.027   7.966
  137   HG23  ILE  25          HG23      ILE  25  26.208   4.757   7.395
  138   HD11  ILE  25          HD11      ILE  25  26.039   5.564   3.749
  139   HD12  ILE  25          HD12      ILE  25  27.635   4.815   3.732
  140   HD13  ILE  25          HD13      ILE  25  27.086   5.686   5.163
  141    H    PHE  26           HN       PHE  26  29.638   3.853   7.522
  142    HA   PHE  26           HA       PHE  26  30.326   6.370   6.406
  143    HB2  PHE  26           HB2      PHE  26  30.671   5.003   8.918
  144    HB3  PHE  26           HB1      PHE  26  32.183   5.776   8.444
  145    HD1  PHE  26           HD1      PHE  26  28.497   6.465   8.613
  146    HD2  PHE  26           HD2      PHE  26  32.481   8.054   8.864
  147    HE1  PHE  26           HE1      PHE  26  27.577   8.675   9.262
  148    HE2  PHE  26           HE2      PHE  26  31.559  10.263   9.511
  149    HZ   PHE  26           HZ       PHE  26  29.108  10.575   9.709
  150    H    THR  27           HN       THR  27  31.871   3.238   6.385
  151    HA   THR  27           HA       THR  27  34.494   4.046   5.716
  152    HB   THR  27           HB       THR  27  33.127   1.496   4.832
  153    HG1  THR  27           HG1      THR  27  33.396   2.408   7.263
  154   HG21  THR  27          HG21      THR  27  35.837   2.552   4.749
  155   HG22  THR  27          HG22      THR  27  35.175   1.110   3.978
  156   HG23  THR  27          HG23      THR  27  35.758   1.032   5.641
  157    H    GLY  28           HN       GLY  28  31.749   3.073   3.660
  158    HA2  GLY  28           HA2      GLY  28  33.103   3.500   1.189
  159    HA3  GLY  28           HA1      GLY  28  31.360   3.361   1.404
  160    H    VAL  29           HN       VAL  29  30.840   5.491   3.098
  161    HA   VAL  29           HA       VAL  29  30.761   7.676   1.302
  162    HB   VAL  29           HB       VAL  29  30.159   7.384   4.242
  163   HG11  VAL  29          HG11      VAL  29  30.736   9.801   2.764
  164   HG12  VAL  29          HG12      VAL  29  30.335   9.611   4.470
  165   HG13  VAL  29          HG13      VAL  29  29.049   9.787   3.277
  166   HG21  VAL  29          HG21      VAL  29  28.673   6.440   2.361
  167   HG22  VAL  29          HG22      VAL  29  28.337   8.119   1.940
  168   HG23  VAL  29          HG23      VAL  29  27.888   7.502   3.530
  169    H    DBU  30           HN       DHB  30  32.747   7.001   4.179
  170    HB   DBU  30           HB       DHB  30  35.521   9.572   5.310
  171    HG1  DBU  30           HG1      DHB  30  33.932  10.239   6.907
  172    HG2  DBU  30           HG2      DHB  30  33.242   8.621   6.768
  173    HG3  DBU  30           HG3      DHB  30  32.631   9.932   5.757
  174    H    VAL  31           HN       VAL  31  34.679   6.229   2.786
  175    HA   VAL  31           HA       VAL  31  37.347   6.628   1.950
  176    HB   VAL  31           HB       VAL  31  35.162   4.706   1.289
  177   HG11  VAL  31          HG11      VAL  31  36.054   5.253  -0.919
  178   HG12  VAL  31          HG12      VAL  31  36.632   3.660  -0.435
  179   HG13  VAL  31          HG13      VAL  31  37.704   5.056  -0.330
  180   HG21  VAL  31          HG21      VAL  31  36.743   4.384   3.192
  181   HG22  VAL  31          HG22      VAL  31  38.084   4.379   2.046
  182   HG23  VAL  31          HG23      VAL  31  36.871   3.100   1.989
  183    H    VAL  32           HN       VAL  32  34.245   7.035   0.244
  184    HA   VAL  32           HA       VAL  32  35.345   7.807  -2.233
  185    HB   VAL  32           HB       VAL  32  32.657   8.208  -0.939
  186   HG11  VAL  32          HG11      VAL  32  33.618   9.176  -3.644
  187   HG12  VAL  32          HG12      VAL  32  32.990  10.164  -2.326
  188   HG13  VAL  32          HG13      VAL  32  31.919   9.057  -3.185
  189   HG21  VAL  32          HG21      VAL  32  32.242   6.836  -3.217
  190   HG22  VAL  32          HG22      VAL  32  32.697   6.036  -1.714
  191   HG23  VAL  32          HG23      VAL  32  33.924   6.384  -2.934
  192    H    VAL  33           HN       VAL  33  34.211   9.701   0.548
  193    HA   VAL  33           HA       VAL  33  34.607  12.248  -0.579
  194    HB   VAL  33           HB       VAL  33  34.712  13.008   1.813
  195   HG11  VAL  33          HG11      VAL  33  32.411  11.843   2.374
  196   HG12  VAL  33          HG12      VAL  33  32.559  11.222   0.729
  197   HG13  VAL  33          HG13      VAL  33  32.522  12.962   1.015
  198   HG21  VAL  33          HG21      VAL  33  34.509  10.030   2.316
  199   HG22  VAL  33          HG22      VAL  33  34.322  11.274   3.549
  200   HG23  VAL  33          HG23      VAL  33  35.875  11.058   2.740
  201    H    DAL  34           HN       DAL  34  36.764  10.128   1.256
  202    HA   DAL  34           HA       DAL  34  39.042  10.098   1.404
  203    HB1  DAL  34           HB2      DAL  34  38.729  13.085   1.495
  204    HB2  DAL  34           HB3      DAL  34  38.596  12.011   2.871
  205    H    LEU  35           HN       LEU  35  38.674   9.332  -0.923
  206    HA   LEU  35           HA       LEU  35  40.751  10.296  -2.518
  207    HB2  LEU  35           HB2      LEU  35  39.498   7.999  -2.533
  208    HB3  LEU  35           HB1      LEU  35  38.404   8.801  -3.658
  209    HG   LEU  35           HG       LEU  35  40.007   7.853  -5.085
  210   HD11  LEU  35          HD11      LEU  35  41.244   9.724  -6.003
  211   HD12  LEU  35          HD12      LEU  35  41.186  10.567  -4.452
  212   HD13  LEU  35          HD13      LEU  35  39.709  10.340  -5.383
  213   HD21  LEU  35          HD21      LEU  35  41.992   8.649  -2.941
  214   HD22  LEU  35          HD22      LEU  35  42.507   8.151  -4.552
  215   HD23  LEU  35          HD23      LEU  35  41.616   7.029  -3.524
  216    H    LYS  36           HN       LYS  36  37.244  10.844  -2.641
  217    HA   LYS  36           HA       LYS  36  37.229  12.347  -5.033
  218    HB2  LYS  36           HB2      LYS  36  35.343  12.298  -2.674
  219    HB3  LYS  36           HB1      LYS  36  35.030  13.215  -4.147
  220    HG2  LYS  36           HG2      LYS  36  35.582  10.234  -4.094
  221    HG3  LYS  36           HG1      LYS  36  33.966  10.940  -4.142
  222    HD2  LYS  36           HD2      LYS  36  34.533  12.088  -6.254
  223    HD3  LYS  36           HD1      LYS  36  36.146  11.376  -6.206
  224    HE2  LYS  36           HE2      LYS  36  35.160   9.118  -6.296
  225    HE3  LYS  36           HE1      LYS  36  33.543   9.823  -6.332
  226    HZ1  LYS  36           HZ1      LYS  36  33.742  10.363  -8.478
  227    HZ2  LYS  36           HZ2      LYS  36  35.005   9.227  -8.509
  228    HZ3  LYS  36           HZ3      LYS  36  35.349  10.880  -8.318
  229    H    HIS  37           HN       HIS  37  37.688  13.253  -1.662
  230    HA   HIS  37           HA       HIS  37  38.192  16.031  -2.538
  231    HB2  HIS  37           HB2      HIS  37  37.265  14.956   0.136
  232    HB3  HIS  37           HB1      HIS  37  37.703  16.640  -0.160
  233    HD2  HIS  37           HD2      HIS  37  34.727  14.211  -0.833
  234    HE1  HIS  37           HE1      HIS  37  33.750  17.928  -2.582
  235    HE2  HIS  37           HE2      HIS  37  32.855  15.631  -1.973
  236    H    CYS  38           HN       CYS  38  39.144  13.889   0.168
  237    HA   CYS  38           HA       CYS  38  41.756  15.181   0.250
  238    HB2  CYS  38           HB2      CYS  38  41.987  14.283   2.375
  239    HB3  CYS  38           HB1      CYS  38  40.239  14.494   2.276
  Start of MODEL    5
    1    H1   ABA   1           HT1      ABU   1  14.508 -10.761 -11.458
    2    H2   ABA   1           HT2      ABU   1  16.023 -11.520 -11.328
    3    H3   ABA   1           HT3      ABU   1  15.867 -10.072 -12.204
    4    HA   ABA   1           HA       ABU   1  15.060  -9.064 -10.010
    5    HB2  ABA   1           HB2      ABU   1  16.812 -11.020  -8.656
    6    HG1  ABA   1           HG1      ABU   1  14.849 -12.613  -8.388
    7    HG3  ABA   1           HG3      ABU   1  14.086 -11.774  -9.739
    8    HG2  ABA   1           HG2      ABU   1  15.610 -12.629  -9.979
    9    H    DBU   2           HN       DHB   2  18.097 -10.954 -10.155
   10    HB   DBU   2           HB       DHB   2  21.594  -9.560 -10.989
   11    HG1  DBU   2           HG1      DHB   2  20.023 -12.095 -11.229
   12    HG2  DBU   2           HG2      DHB   2  21.609 -11.739 -11.915
   13    HG3  DBU   2           HG3      DHB   2  20.148 -11.202 -12.745
   14    HA   PRO   3           HA       PRO   3  21.103  -5.815  -8.994
   15    HB2  PRO   3           HB2      PRO   3  19.699  -4.397 -11.207
   16    HB3  PRO   3           HB1      PRO   3  21.352  -4.186 -10.600
   17    HG2  PRO   3           HG2      PRO   3  20.884  -5.411 -12.907
   18    HG3  PRO   3           HG1      PRO   3  22.171  -5.955 -11.817
   19    HD2  PRO   3           HD2      PRO   3  19.465  -7.165 -12.305
   20    HD3  PRO   3           HD1      PRO   3  21.011  -7.978 -11.982
   21    H    VAL   4           HN       VAL   4  17.852  -6.057 -10.413
   22    HA   VAL   4           HA       VAL   4  16.601  -4.098  -8.815
   23    HB   VAL   4           HB       VAL   4  15.501  -6.553 -10.199
   24   HG11  VAL   4          HG11      VAL   4  13.738  -6.204  -8.781
   25   HG12  VAL   4          HG12      VAL   4  13.375  -4.894  -9.904
   26   HG13  VAL   4          HG13      VAL   4  14.237  -4.555  -8.403
   27   HG21  VAL   4          HG21      VAL   4  16.308  -3.913 -11.040
   28   HG22  VAL   4          HG22      VAL   4  14.573  -4.102 -11.283
   29   HG23  VAL   4          HG23      VAL   4  15.695  -5.242 -12.024
   30    H    CYS   5           HN       CYS   5  16.865  -7.627  -8.410
   31    HA   CYS   5           HA       CYS   5  15.442  -7.708  -5.943
   32    HB2  CYS   5           HB2      CYS   5  17.350  -9.629  -7.283
   33    HB3  CYS   5           HB1      CYS   5  16.573  -9.980  -5.739
   34    H    ALA   6           HN       ALA   6  18.865  -7.446  -6.792
   35    HA   ALA   6           HA       ALA   6  19.961  -7.771  -4.226
   36    HB1  ALA   6           HB1      ALA   6  21.696  -7.734  -5.681
   37    HB2  ALA   6           HB2      ALA   6  21.666  -5.991  -5.409
   38    HB3  ALA   6           HB3      ALA   6  20.849  -6.680  -6.813
   39    H    VAL   7           HN       VAL   7  18.735  -4.891  -5.889
   40    HA   VAL   7           HA       VAL   7  19.509  -3.000  -3.936
   41    HB   VAL   7           HB       VAL   7  17.293  -2.983  -5.992
   42   HG11  VAL   7          HG11      VAL   7  17.681  -0.376  -5.426
   43   HG12  VAL   7          HG12      VAL   7  18.005  -1.061  -3.833
   44   HG13  VAL   7          HG13      VAL   7  16.451  -1.348  -4.618
   45   HG21  VAL   7          HG21      VAL   7  18.857  -2.144  -7.409
   46   HG22  VAL   7          HG22      VAL   7  20.035  -2.786  -6.264
   47   HG23  VAL   7          HG23      VAL   7  19.542  -1.096  -6.167
   48    H    ALA   8           HN       ALA   8  16.490  -4.818  -4.407
   49    HA   ALA   8           HA       ALA   8  15.077  -3.659  -2.246
   50    HB1  ALA   8           HB1      ALA   8  14.012  -6.172  -2.461
   51    HB2  ALA   8           HB2      ALA   8  14.742  -5.958  -4.053
   52    HB3  ALA   8           HB3      ALA   8  13.549  -4.799  -3.466
   53    H    ALA   9           HN       ALA   9  17.150  -6.524  -2.487
   54    HA   ALA   9           HA       ALA   9  16.708  -7.507   0.126
   55    HB1  ALA   9           HB1      ALA   9  17.995  -8.494  -2.001
   56    HB2  ALA   9           HB2      ALA   9  18.331  -9.050  -0.362
   57    HB3  ALA   9           HB3      ALA   9  19.387  -7.859  -1.122
   58    H    DBU  10           HN       DHB  10  18.989  -5.133  -1.182
   59    HB   DBU  10           HB       DHB  10  21.707  -3.374   1.029
   60    HG1  DBU  10           HG1      DHB  10  23.052  -5.146  -0.025
   61    HG2  DBU  10           HG2      DHB  10  22.404  -4.222  -1.381
   62    HG3  DBU  10           HG3      DHB  10  21.648  -5.744  -0.910
   63    H    ALA  11           HN       ALA  11  17.722  -3.079   0.038
   64    HA   ALA  11           HA       ALA  11  17.617  -1.334   2.247
   65    HB1  ALA  11           HB1      ALA  11  16.071  -1.831  -0.060
   66    HB2  ALA  11           HB2      ALA  11  15.888  -0.505   1.088
   67    HB3  ALA  11           HB3      ALA  11  14.973  -1.997   1.310
   68    H    ALA  12           HN       ALA  12  16.150  -4.521   1.698
   69    HA   ALA  12           HA       ALA  12  14.697  -4.611   4.138
   70    HB1  ALA  12           HB1      ALA  12  15.109  -7.229   3.580
   71    HB2  ALA  12           HB2      ALA  12  15.440  -6.518   2.000
   72    HB3  ALA  12           HB3      ALA  12  13.882  -6.246   2.781
   73    H    ALA  13           HN       ALA  13  17.911  -5.782   3.193
   74    HA   ALA  13           HA       ALA  13  18.521  -7.044   5.663
   75    HB1  ALA  13           HB1      ALA  13  20.020  -7.774   4.115
   76    HB2  ALA  13           HB2      ALA  13  20.965  -6.400   4.692
   77    HB3  ALA  13           HB3      ALA  13  19.999  -6.252   3.223
   78    H    ALA  14           HN       ALA  14  18.938  -3.760   4.451
   79    HA   ALA  14           HA       ALA  14  20.638  -2.778   6.468
   80    HB2  ALA  14           HB2      ALA  14  19.562  -1.727   4.205
   81    HB3  ALA  14           HB3      ALA  14  18.588  -0.918   5.434
   82    H    DHA  15           HN       DHA  15  17.105  -3.101   6.296
   83    HB1  DHA  15           HB1      DHA  15  14.602  -2.439   7.193
   84    HB2  DHA  15           HB2      DHA  15  14.507  -2.414   9.045
   85    H    ALA  16           HN       ALA  16  18.000  -4.509   9.039
   86    HA   ALA  16           HA       ALA  16  18.160  -3.522  11.791
   87    HB1  ALA  16           HB1      ALA  16  18.000  -6.059  10.746
   88    HB2  ALA  16           HB2      ALA  16  18.544  -5.671  12.379
   89    HB3  ALA  16           HB3      ALA  16  19.724  -5.907  11.090
   90    H    ALA  17           HN       ALA  17  20.398  -4.518   9.195
   91    HA   ALA  17           HA       ALA  17  22.765  -3.700  10.481
   92    HB1  ALA  17           HB1      ALA  17  22.325  -3.682   7.493
   93    HB2  ALA  17           HB2      ALA  17  22.547  -5.170   8.414
   94    HB3  ALA  17           HB3      ALA  17  23.831  -3.962   8.368
   95    H    CYS  18           HN       CYS  18  20.773  -2.019   8.044
   96    HA   CYS  18           HA       CYS  18  22.278   0.355   7.954
   97    HB2  CYS  18           HB2      CYS  18  19.349  -0.175   7.424
   98    HB3  CYS  18           HB1      CYS  18  20.126   1.378   7.115
   99    H    GLY  19           HN       GLY  19  19.559  -0.613  10.009
  100    HA2  GLY  19           HA2      GLY  19  19.196   1.863  11.324
  101    HA3  GLY  19           HA1      GLY  19  18.703   0.290  11.947
  102    H    TRP  20           HN       TRP  20  21.032  -1.044  12.282
  103    HA   TRP  20           HA       TRP  20  22.075   0.086  14.673
  104    HB2  TRP  20           HB2      TRP  20  22.881  -2.272  12.973
  105    HB3  TRP  20           HB1      TRP  20  23.772  -1.818  14.426
  106    HD1  TRP  20           HD1      TRP  20  20.020  -2.270  13.541
  107    HE1  TRP  20           HE1      TRP  20  18.899  -3.557  15.475
  108    HE3  TRP  20           HE3      TRP  20  24.033  -2.885  16.639
  109    HZ2  TRP  20           HZ2      TRP  20  19.609  -4.694  18.002
  110    HZ3  TRP  20           HZ3      TRP  20  23.783  -4.072  18.801
  111    HH2  TRP  20           HH2      TRP  20  21.578  -4.975  19.483
  112    H    VAL  21           HN       VAL  21  23.264  -0.104  11.348
  113    HA   VAL  21           HA       VAL  21  25.344   0.600  10.497
  114    HB   VAL  21           HB       VAL  21  23.651   2.403  10.177
  115   HG11  VAL  21          HG11      VAL  21  24.903   4.003  12.351
  116   HG12  VAL  21          HG12      VAL  21  23.770   2.748  12.853
  117   HG13  VAL  21          HG13      VAL  21  23.243   4.021  11.753
  118   HG21  VAL  21          HG21      VAL  21  25.926   4.116  10.630
  119   HG22  VAL  21          HG22      VAL  21  25.308   3.488   9.103
  120   HG23  VAL  21          HG23      VAL  21  26.481   2.553  10.031
  121    H    GLY  22           HN       GLY  22  26.722  -0.527  12.041
  122    HA2  GLY  22           HA2      GLY  22  27.659   0.847  14.397
  123    HA3  GLY  22           HA1      GLY  22  28.308  -0.649  13.729
  124    H    GLY  23           HN       GLY  23  28.036   1.757  11.377
  125    HA2  GLY  23           HA2      GLY  23  29.585   3.525  10.835
  126    HA3  GLY  23           HA1      GLY  23  30.799   2.705  11.812
  127    H    GLY  24           HN       GLY  24  29.817   0.090  10.576
  128    HA2  GLY  24           HA2      GLY  24  31.787  -0.082   8.531
  129    HA3  GLY  24           HA1      GLY  24  30.592  -1.316   8.921
  130    H    ILE  25           HN       ILE  25  28.235   0.093   8.466
  131    HA   ILE  25           HA       ILE  25  27.975  -0.140   5.649
  132    HB   ILE  25           HB       ILE  25  26.047  -0.575   6.989
  133   HG12  ILE  25          HG12      ILE  25  24.425   0.725   5.864
  134   HG13  ILE  25          HG11      ILE  25  25.461   2.153   5.839
  135   HG21  ILE  25          HG21      ILE  25  26.839   0.921   8.884
  136   HG22  ILE  25          HG22      ILE  25  25.109   0.992   8.550
  137   HG23  ILE  25          HG23      ILE  25  26.170   2.282   7.983
  138   HD11  ILE  25          HD11      ILE  25  26.591   1.462   3.982
  139   HD12  ILE  25          HD12      ILE  25  25.153   0.478   3.713
  140   HD13  ILE  25          HD13      ILE  25  26.574  -0.230   4.481
  141    H    PHE  26           HN       PHE  26  27.978   2.685   7.818
  142    HA   PHE  26           HA       PHE  26  27.642   4.654   5.841
  143    HB2  PHE  26           HB2      PHE  26  27.427   5.064   8.281
  144    HB3  PHE  26           HB1      PHE  26  29.175   4.892   8.443
  145    HD1  PHE  26           HD1      PHE  26  26.668   6.761   6.359
  146    HD2  PHE  26           HD2      PHE  26  30.483   6.816   8.335
  147    HE1  PHE  26           HE1      PHE  26  26.965   9.138   5.719
  148    HE2  PHE  26           HE2      PHE  26  30.780   9.194   7.694
  149    HZ   PHE  26           HZ       PHE  26  29.021  10.356   6.387
  150    H    THR  27           HN       THR  27  30.608   3.280   7.252
  151    HA   THR  27           HA       THR  27  32.463   4.858   5.863
  152    HB   THR  27           HB       THR  27  34.059   3.016   6.310
  153    HG1  THR  27           HG1      THR  27  32.516   1.433   7.745
  154   HG21  THR  27          HG21      THR  27  34.024   4.210   8.245
  155   HG22  THR  27          HG22      THR  27  33.162   2.809   8.880
  156   HG23  THR  27          HG23      THR  27  32.262   4.218   8.320
  157    H    GLY  28           HN       GLY  28  31.035   1.711   5.007
  158    HA2  GLY  28           HA2      GLY  28  32.412   1.403   2.548
  159    HA3  GLY  28           HA1      GLY  28  30.921   0.581   3.003
  160    H    VAL  29           HN       VAL  29  29.213   2.742   3.346
  161    HA   VAL  29           HA       VAL  29  28.424   3.280   0.678
  162    HB   VAL  29           HB       VAL  29  27.529   4.154   3.389
  163   HG11  VAL  29          HG11      VAL  29  26.949   5.562   0.785
  164   HG12  VAL  29          HG12      VAL  29  27.364   6.266   2.349
  165   HG13  VAL  29          HG13      VAL  29  25.769   5.556   2.096
  166   HG21  VAL  29          HG21      VAL  29  25.783   2.774   2.919
  167   HG22  VAL  29          HG22      VAL  29  26.813   2.160   1.626
  168   HG23  VAL  29          HG23      VAL  29  25.612   3.404   1.281
  169    H    DBU  30           HN       DHB  30  29.985   5.302   3.167
  170    HB   DBU  30           HB       DHB  30  31.065   9.001   2.316
  171    HG1  DBU  30           HG1      DHB  30  29.045   9.590   3.389
  172    HG2  DBU  30           HG2      DHB  30  29.333   8.169   4.393
  173    HG3  DBU  30           HG3      DHB  30  28.318   8.042   2.957
  174    H    VAL  31           HN       VAL  31  32.229   4.887   2.138
  175    HA   VAL  31           HA       VAL  31  34.492   5.979   0.790
  176    HB   VAL  31           HB       VAL  31  33.678   3.297   1.801
  177   HG11  VAL  31          HG11      VAL  31  35.593   3.806  -0.454
  178   HG12  VAL  31          HG12      VAL  31  34.470   2.466  -0.228
  179   HG13  VAL  31          HG13      VAL  31  35.958   2.538   0.715
  180   HG21  VAL  31          HG21      VAL  31  36.371   4.645   1.955
  181   HG22  VAL  31          HG22      VAL  31  35.633   3.522   3.097
  182   HG23  VAL  31          HG23      VAL  31  35.042   5.180   2.984
  183    H    VAL  32           HN       VAL  32  31.895   3.759  -0.203
  184    HA   VAL  32           HA       VAL  32  32.829   3.344  -2.843
  185    HB   VAL  32           HB       VAL  32  30.095   3.111  -1.582
  186   HG11  VAL  32          HG11      VAL  32  30.900   2.158  -4.343
  187   HG12  VAL  32          HG12      VAL  32  30.019   3.661  -4.063
  188   HG13  VAL  32          HG13      VAL  32  29.292   2.117  -3.618
  189   HG21  VAL  32          HG21      VAL  32  30.550   0.768  -1.590
  190   HG22  VAL  32          HG22      VAL  32  32.035   1.526  -1.013
  191   HG23  VAL  32          HG23      VAL  32  31.922   0.963  -2.681
  192    H    VAL  33           HN       VAL  33  30.404   5.595  -1.521
  193    HA   VAL  33           HA       VAL  33  29.565   6.818  -3.855
  194    HB   VAL  33           HB       VAL  33  28.431   7.471  -1.909
  195   HG11  VAL  33          HG11      VAL  33  30.731   6.935  -0.592
  196   HG12  VAL  33          HG12      VAL  33  29.396   7.824   0.140
  197   HG13  VAL  33          HG13      VAL  33  30.769   8.696  -0.542
  198   HG21  VAL  33          HG21      VAL  33  29.520   9.388  -3.536
  199   HG22  VAL  33          HG22      VAL  33  30.065   9.933  -1.950
  200   HG23  VAL  33          HG23      VAL  33  28.342   9.722  -2.266
  201    H    DAL  34           HN       DAL  34  31.999   8.281  -1.694
  202    HA   DAL  34           HA       DAL  34  33.931   9.445  -2.156
  203    HB1  DAL  34           HB2      DAL  34  32.814  10.569  -4.654
  204    HB2  DAL  34           HB3      DAL  34  31.840  10.809  -3.207
  205    H    LEU  35           HN       LEU  35  33.571   6.753  -3.284
  206    HA   LEU  35           HA       LEU  35  35.917   6.567  -4.814
  207    HB2  LEU  35           HB2      LEU  35  34.613   4.739  -3.499
  208    HB3  LEU  35           HB1      LEU  35  33.718   4.525  -5.003
  209    HG   LEU  35           HG       LEU  35  35.790   4.091  -6.220
  210   HD11  LEU  35          HD11      LEU  35  37.667   5.057  -5.418
  211   HD12  LEU  35          HD12      LEU  35  37.727   3.755  -4.230
  212   HD13  LEU  35          HD13      LEU  35  36.944   5.283  -3.825
  213   HD21  LEU  35          HD21      LEU  35  35.063   2.526  -3.795
  214   HD22  LEU  35          HD22      LEU  35  36.613   2.133  -4.541
  215   HD23  LEU  35          HD23      LEU  35  35.126   2.020  -5.484
  216    H    LYS  36           HN       LYS  36  32.656   7.285  -5.717
  217    HA   LYS  36           HA       LYS  36  33.161   6.725  -8.549
  218    HB2  LYS  36           HB2      LYS  36  30.672   7.673  -7.109
  219    HB3  LYS  36           HB1      LYS  36  30.769   7.319  -8.834
  220    HG2  LYS  36           HG2      LYS  36  31.361   5.338  -6.614
  221    HG3  LYS  36           HG1      LYS  36  29.868   5.394  -7.551
  222    HD2  LYS  36           HD2      LYS  36  31.131   4.985  -9.621
  223    HD3  LYS  36           HD1      LYS  36  32.639   4.962  -8.706
  224    HE2  LYS  36           HE2      LYS  36  31.857   3.018  -7.425
  225    HE3  LYS  36           HE1      LYS  36  30.319   3.052  -8.288
  226    HZ1  LYS  36           HZ1      LYS  36  31.231   2.180 -10.135
  227    HZ2  LYS  36           HZ2      LYS  36  32.391   1.579  -9.049
  228    HZ3  LYS  36           HZ3      LYS  36  32.707   2.991  -9.940
  229    H    HIS  37           HN       HIS  37  32.293   9.449  -6.432
  230    HA   HIS  37           HA       HIS  37  32.858  11.302  -8.653
  231    HB2  HIS  37           HB2      HIS  37  31.567  11.964  -6.003
  232    HB3  HIS  37           HB1      HIS  37  31.562  12.930  -7.479
  233    HD2  HIS  37           HD2      HIS  37  29.803   9.695  -6.059
  234    HE1  HIS  37           HE1      HIS  37  27.862  10.807  -9.641
  235    HE2  HIS  37           HE2      HIS  37  27.785   9.231  -7.651
  236    H    CYS  38           HN       CYS  38  33.989  10.230  -5.562
  237    HA   CYS  38           HA       CYS  38  35.787  12.523  -5.263
  238    HB2  CYS  38           HB2      CYS  38  35.453  10.103  -3.475
  239    HB3  CYS  38           HB1      CYS  38  36.328  11.584  -3.091
  Start of MODEL    6
    1    H1   ABA   1           HT1      ABU   1   7.339 -17.559  -6.308
    2    H2   ABA   1           HT2      ABU   1   5.878 -16.692  -6.302
    3    H3   ABA   1           HT3      ABU   1   6.309 -17.644  -4.963
    4    HA   ABA   1           HA       ABU   1   8.311 -16.180  -4.698
    5    HB2  ABA   1           HB2      ABU   1   6.860 -14.038  -6.152
    6    HG1  ABA   1           HG1      ABU   1   8.154 -14.855  -8.277
    7    HG3  ABA   1           HG3      ABU   1   8.051 -16.441  -7.510
    8    HG2  ABA   1           HG2      ABU   1   6.578 -15.559  -7.911
    9    H    DBU   2           HN       DHB   2   5.510 -14.090  -5.273
   10    HB   DBU   2           HB       DHB   2   2.857 -13.139  -2.621
   11    HG1  DBU   2           HG1      DHB   2   3.096 -14.502  -5.363
   12    HG2  DBU   2           HG2      DHB   2   2.033 -13.131  -5.052
   13    HG3  DBU   2           HG3      DHB   2   1.719 -14.683  -4.278
   14    HA   PRO   3           HA       PRO   3   5.613 -12.572   0.564
   15    HB2  PRO   3           HB2      PRO   3   6.087 -15.413   1.317
   16    HB3  PRO   3           HB1      PRO   3   5.222 -14.149   2.195
   17    HG2  PRO   3           HG2      PRO   3   3.935 -16.104   0.979
   18    HG3  PRO   3           HG1      PRO   3   3.297 -14.449   0.991
   19    HD2  PRO   3           HD2      PRO   3   4.653 -15.928  -1.209
   20    HD3  PRO   3           HD1      PRO   3   3.337 -14.748  -1.293
   21    H    VAL   4           HN       VAL   4   7.338 -15.457  -0.654
   22    HA   VAL   4           HA       VAL   4   9.856 -14.776   0.441
   23    HB   VAL   4           HB       VAL   4  10.727 -16.409  -1.282
   24   HG11  VAL   4          HG11      VAL   4   8.575 -17.983  -0.175
   25   HG12  VAL   4          HG12      VAL   4   9.120 -16.803   1.018
   26   HG13  VAL   4          HG13      VAL   4  10.270 -17.938   0.313
   27   HG21  VAL   4          HG21      VAL   4   8.698 -15.789  -2.822
   28   HG22  VAL   4          HG22      VAL   4   7.840 -16.999  -1.871
   29   HG23  VAL   4          HG23      VAL   4   9.275 -17.455  -2.790
   30    H    CYS   5           HN       CYS   5   8.343 -14.100  -2.676
   31    HA   CYS   5           HA       CYS   5  10.637 -12.964  -3.910
   32    HB2  CYS   5           HB2      CYS   5   7.696 -12.953  -4.451
   33    HB3  CYS   5           HB1      CYS   5   8.716 -11.786  -5.295
   34    H    ALA   6           HN       ALA   6   7.947 -11.593  -2.052
   35    HA   ALA   6           HA       ALA   6   8.630  -8.872  -2.404
   36    HB1  ALA   6           HB1      ALA   6   6.621  -8.755  -1.412
   37    HB2  ALA   6           HB2      ALA   6   7.433  -9.094   0.117
   38    HB3  ALA   6           HB3      ALA   6   6.749 -10.415  -0.831
   39    H    VAL   7           HN       VAL   7   9.416 -11.185   0.184
   40    HA   VAL   7           HA       VAL   7  10.915  -9.378   1.766
   41    HB   VAL   7           HB       VAL   7   9.991 -11.832   2.225
   42   HG11  VAL   7          HG11      VAL   7  12.921 -12.326   1.636
   43   HG12  VAL   7          HG12      VAL   7  11.617 -12.792   0.546
   44   HG13  VAL   7          HG13      VAL   7  11.721 -13.511   2.152
   45   HG21  VAL   7          HG21      VAL   7  12.428 -10.472   3.391
   46   HG22  VAL   7          HG22      VAL   7  11.766 -11.951   4.089
   47   HG23  VAL   7          HG23      VAL   7  10.782 -10.488   4.024
   48    H    ALA   8           HN       ALA   8  11.834 -11.634  -0.806
   49    HA   ALA   8           HA       ALA   8  14.631 -11.279  -0.600
   50    HB1  ALA   8           HB1      ALA   8  14.736 -12.691  -2.373
   51    HB2  ALA   8           HB2      ALA   8  13.553 -11.771  -3.302
   52    HB3  ALA   8           HB3      ALA   8  13.013 -12.909  -2.067
   53    H    ALA   9           HN       ALA   9  12.130  -9.554  -2.401
   54    HA   ALA   9           HA       ALA   9  13.850  -7.940  -3.963
   55    HB1  ALA   9           HB1      ALA   9  11.941  -6.851  -4.649
   56    HB2  ALA   9           HB2      ALA   9  11.224  -6.868  -3.038
   57    HB3  ALA   9           HB3      ALA   9  11.221  -8.333  -4.020
   58    H    DBU  10           HN       DHB  10  12.474  -7.539  -0.722
   59    HB   DBU  10           HB       DHB  10  13.094  -4.348   1.463
   60    HG1  DBU  10           HG1      DHB  10  10.852  -3.863   0.627
   61    HG2  DBU  10           HG2      DHB  10  10.661  -5.452   1.369
   62    HG3  DBU  10           HG3      DHB  10  10.857  -5.313  -0.378
   63    H    ALA  11           HN       ALA  11  14.857  -7.863   0.713
   64    HA   ALA  11           HA       ALA  11  17.185  -6.563   1.642
   65    HB1  ALA  11           HB1      ALA  11  16.648  -8.848   2.306
   66    HB2  ALA  11           HB2      ALA  11  18.222  -8.815   1.511
   67    HB3  ALA  11           HB3      ALA  11  16.805  -9.395   0.637
   68    H    ALA  12           HN       ALA  12  16.315  -7.923  -1.507
   69    HA   ALA  12           HA       ALA  12  18.851  -7.657  -2.729
   70    HB1  ALA  12           HB1      ALA  12  17.486  -8.974  -4.020
   71    HB2  ALA  12           HB2      ALA  12  17.231  -7.436  -4.844
   72    HB3  ALA  12           HB3      ALA  12  16.048  -8.016  -3.669
   73    H    ALA  13           HN       ALA  13  16.127  -5.438  -2.367
   74    HA   ALA  13           HA       ALA  13  17.106  -3.415  -4.106
   75    HB1  ALA  13           HB1      ALA  13  15.587  -2.033  -2.328
   76    HB2  ALA  13           HB2      ALA  13  14.981  -3.669  -2.068
   77    HB3  ALA  13           HB3      ALA  13  14.921  -2.953  -3.678
   78    H    ALA  14           HN       ALA  14  16.909  -3.316  -0.541
   79    HA   ALA  14           HA       ALA  14  18.725  -1.174  -0.274
   80    HB2  ALA  14           HB2      ALA  14  17.406  -1.437   1.611
   81    HB3  ALA  14           HB3      ALA  14  17.549  -3.195   1.591
   82    H    DHA  15           HN       DHA  15  19.143  -4.689  -0.178
   83    HB1  DHA  15           HB1      DHA  15  20.613  -6.888   0.542
   84    HB2  DHA  15           HB2      DHA  15  22.399  -6.710   0.077
   85    H    ALA  16           HN       ALA  16  21.229  -3.608  -2.319
   86    HA   ALA  16           HA       ALA  16  24.072  -2.968  -2.218
   87    HB1  ALA  16           HB1      ALA  16  23.137  -3.627  -4.366
   88    HB2  ALA  16           HB2      ALA  16  23.653  -1.942  -4.439
   89    HB3  ALA  16           HB3      ALA  16  21.941  -2.334  -4.271
   90    H    ALA  17           HN       ALA  17  20.946  -1.276  -2.168
   91    HA   ALA  17           HA       ALA  17  22.138   1.327  -1.915
   92    HB1  ALA  17           HB1      ALA  17  19.522   0.248  -2.312
   93    HB2  ALA  17           HB2      ALA  17  20.055   1.920  -2.487
   94    HB3  ALA  17           HB3      ALA  17  19.469   1.339  -0.927
   95    H    CYS  18           HN       CYS  18  19.908  -0.236   0.371
   96    HA   CYS  18           HA       CYS  18  20.793   1.255   2.594
   97    HB2  CYS  18           HB2      CYS  18  19.382  -0.147   3.894
   98    HB3  CYS  18           HB1      CYS  18  18.582   0.040   2.337
   99    H    GLY  19           HN       GLY  19  21.443  -2.093   1.616
  100    HA2  GLY  19           HA2      GLY  19  23.100  -2.840   3.734
  101    HA3  GLY  19           HA1      GLY  19  23.194  -3.512   2.110
  102    H    TRP  20           HN       TRP  20  24.139  -1.655   0.509
  103    HA   TRP  20           HA       TRP  20  26.871  -1.414   1.217
  104    HB2  TRP  20           HB2      TRP  20  25.670  -1.424  -1.119
  105    HB3  TRP  20           HB1      TRP  20  25.641   0.309  -0.885
  106    HD1  TRP  20           HD1      TRP  20  27.950   1.612  -0.792
  107    HE1  TRP  20           HE1      TRP  20  30.324   0.941  -1.593
  108    HE3  TRP  20           HE3      TRP  20  27.304  -3.379  -1.426
  109    HZ2  TRP  20           HZ2      TRP  20  31.742  -1.369  -2.389
  110    HZ3  TRP  20           HZ3      TRP  20  29.195  -4.819  -2.214
  111    HH2  TRP  20           HH2      TRP  20  31.406  -3.784  -2.691
  112    H    VAL  21           HN       VAL  21  24.227   0.972   1.106
  113    HA   VAL  21           HA       VAL  21  25.750   3.230   1.793
  114    HB   VAL  21           HB       VAL  21  22.840   2.559   2.227
  115   HG11  VAL  21          HG11      VAL  21  23.405   5.378   2.219
  116   HG12  VAL  21          HG12      VAL  21  24.365   4.594   3.474
  117   HG13  VAL  21          HG13      VAL  21  22.611   4.417   3.467
  118   HG21  VAL  21          HG21      VAL  21  24.068   2.967  -0.106
  119   HG22  VAL  21          HG22      VAL  21  23.890   4.657   0.367
  120   HG23  VAL  21          HG23      VAL  21  22.463   3.632   0.203
  121    H    GLY  22           HN       GLY  22  23.961   0.922   3.817
  122    HA2  GLY  22           HA2      GLY  22  24.152   2.026   6.306
  123    HA3  GLY  22           HA1      GLY  22  24.323   0.297   6.017
  124    H    GLY  23           HN       GLY  23  26.749   1.149   4.271
  125    HA2  GLY  23           HA2      GLY  23  28.653   1.639   6.484
  126    HA3  GLY  23           HA1      GLY  23  28.925   0.335   5.333
  127    H    GLY  24           HN       GLY  24  27.721   2.098   3.179
  128    HA2  GLY  24           HA2      GLY  24  30.145   3.139   2.147
  129    HA3  GLY  24           HA1      GLY  24  28.537   3.430   1.491
  130    H    ILE  25           HN       ILE  25  27.440   4.600   3.891
  131    HA   ILE  25           HA       ILE  25  28.079   7.303   3.472
  132    HB   ILE  25           HB       ILE  25  25.971   6.916   4.401
  133   HG12  ILE  25          HG12      ILE  25  25.991   8.046   6.566
  134   HG13  ILE  25          HG11      ILE  25  27.705   7.683   6.766
  135   HG21  ILE  25          HG21      ILE  25  26.572   5.647   6.916
  136   HG22  ILE  25          HG22      ILE  25  27.246   4.696   5.594
  137   HG23  ILE  25          HG23      ILE  25  25.526   5.081   5.614
  138   HD11  ILE  25          HD11      ILE  25  28.279   9.497   5.565
  139   HD12  ILE  25          HD12      ILE  25  26.575   9.949   5.511
  140   HD13  ILE  25          HD13      ILE  25  27.268   8.969   4.219
  141    H    PHE  26           HN       PHE  26  28.608   5.516   6.501
  142    HA   PHE  26           HA       PHE  26  30.451   7.349   7.579
  143    HB2  PHE  26           HB2      PHE  26  29.271   5.667   8.942
  144    HB3  PHE  26           HB1      PHE  26  30.188   4.385   8.153
  145    HD1  PHE  26           HD1      PHE  26  30.668   7.568  10.071
  146    HD2  PHE  26           HD2      PHE  26  32.249   3.708   9.042
  147    HE1  PHE  26           HE1      PHE  26  32.522   7.897  11.685
  148    HE2  PHE  26           HE2      PHE  26  34.103   4.039  10.656
  149    HZ   PHE  26           HZ       PHE  26  34.240   6.133  11.977
  150    H    THR  27           HN       THR  27  30.972   4.317   5.785
  151    HA   THR  27           HA       THR  27  33.785   4.306   5.924
  152    HB   THR  27           HB       THR  27  31.969   3.210   3.761
  153    HG1  THR  27           HG1      THR  27  33.085   1.440   5.447
  154   HG21  THR  27          HG21      THR  27  33.925   1.649   3.404
  155   HG22  THR  27          HG22      THR  27  34.875   2.712   4.440
  156   HG23  THR  27          HG23      THR  27  34.219   3.320   2.920
  157    H    GLY  28           HN       GLY  28  31.595   5.590   3.423
  158    HA2  GLY  28           HA2      GLY  28  33.651   6.601   1.740
  159    HA3  GLY  28           HA1      GLY  28  31.956   7.081   1.702
  160    H    VAL  29           HN       VAL  29  31.695   8.061   4.328
  161    HA   VAL  29           HA       VAL  29  32.682  10.698   4.032
  162    HB   VAL  29           HB       VAL  29  31.365   9.216   6.303
  163   HG11  VAL  29          HG11      VAL  29  32.186  10.759   7.718
  164   HG12  VAL  29          HG12      VAL  29  31.253  11.965   6.831
  165   HG13  VAL  29          HG13      VAL  29  32.936  11.656   6.399
  166   HG21  VAL  29          HG21      VAL  29  29.618  11.025   5.764
  167   HG22  VAL  29          HG22      VAL  29  29.837   9.760   4.555
  168   HG23  VAL  29          HG23      VAL  29  30.565  11.349   4.311
  169    H    DBU  30           HN       DHB  30  33.666   7.977   6.112
  170    HB   DBU  30           HB       DHB  30  36.758   8.412   8.542
  171    HG1  DBU  30           HG1      DHB  30  35.111   8.604  10.205
  172    HG2  DBU  30           HG2      DHB  30  33.903   8.001   9.069
  173    HG3  DBU  30           HG3      DHB  30  34.262   9.727   9.143
  174    H    VAL  31           HN       VAL  31  35.564   7.106   4.729
  175    HA   VAL  31           HA       VAL  31  38.348   6.911   4.299
  176    HB   VAL  31           HB       VAL  31  35.954   6.412   2.531
  177   HG11  VAL  31          HG11      VAL  31  37.549   6.879   0.901
  178   HG12  VAL  31          HG12      VAL  31  37.835   5.160   1.172
  179   HG13  VAL  31          HG13      VAL  31  38.891   6.358   1.920
  180   HG21  VAL  31          HG21      VAL  31  37.998   4.433   3.530
  181   HG22  VAL  31          HG22      VAL  31  36.333   4.141   3.026
  182   HG23  VAL  31          HG23      VAL  31  36.661   4.939   4.564
  183    H    VAL  32           HN       VAL  32  35.850   8.988   2.840
  184    HA   VAL  32           HA       VAL  32  37.524  10.277   0.981
  185    HB   VAL  32           HB       VAL  32  34.945  11.089   2.322
  186   HG11  VAL  32          HG11      VAL  32  35.337  13.204   1.665
  187   HG12  VAL  32          HG12      VAL  32  35.347  12.626  -0.001
  188   HG13  VAL  32          HG13      VAL  32  36.856  12.734   0.903
  189   HG21  VAL  32          HG21      VAL  32  35.641  10.278  -0.521
  190   HG22  VAL  32          HG22      VAL  32  34.024  10.628   0.092
  191   HG23  VAL  32          HG23      VAL  32  34.904   9.218   0.681
  192    H    VAL  33           HN       VAL  33  36.580  11.164   4.294
  193    HA   VAL  33           HA       VAL  33  37.995  13.612   4.388
  194    HB   VAL  33           HB       VAL  33  37.780  13.380   6.838
  195   HG11  VAL  33          HG11      VAL  33  35.227  12.978   6.815
  196   HG12  VAL  33          HG12      VAL  33  35.415  12.730   5.079
  197   HG13  VAL  33          HG13      VAL  33  35.849  14.280   5.801
  198   HG21  VAL  33          HG21      VAL  33  36.697  11.363   7.757
  199   HG22  VAL  33          HG22      VAL  33  38.217  10.951   6.961
  200   HG23  VAL  33          HG23      VAL  33  36.683  10.640   6.149
  201    H    DAL  34           HN       DAL  34  38.888  10.315   5.340
  202    HA   DAL  34           HA       DAL  34  40.938   9.370   5.741
  203    HB1  DAL  34           HB2      DAL  34  42.213  11.962   6.429
  204    HB2  DAL  34           HB3      DAL  34  40.834  11.484   7.405
  205    H    LEU  35           HN       LEU  35  40.240  10.105   3.159
  206    HA   LEU  35           HA       LEU  35  42.626   9.833   1.762
  207    HB2  LEU  35           HB2      LEU  35  40.168   9.520   0.980
  208    HB3  LEU  35           HB1      LEU  35  40.248  11.233   0.566
  209    HG   LEU  35           HG       LEU  35  42.195  10.826  -0.862
  210   HD11  LEU  35          HD11      LEU  35  42.547   8.207  -1.263
  211   HD12  LEU  35          HD12      LEU  35  41.990   8.129   0.408
  212   HD13  LEU  35          HD13      LEU  35  43.425   9.069   0.000
  213   HD21  LEU  35          HD21      LEU  35  41.089   9.391  -2.578
  214   HD22  LEU  35          HD22      LEU  35  39.985  10.583  -1.891
  215   HD23  LEU  35          HD23      LEU  35  39.902   8.901  -1.367
  216    H    LYS  36           HN       LYS  36  41.328  12.599   3.280
  217    HA   LYS  36           HA       LYS  36  42.952  14.420   1.630
  218    HB2  LYS  36           HB2      LYS  36  40.814  14.964   3.698
  219    HB3  LYS  36           HB1      LYS  36  41.715  16.213   2.838
  220    HG2  LYS  36           HG2      LYS  36  40.048  14.066   1.494
  221    HG3  LYS  36           HG1      LYS  36  39.506  15.720   1.781
  222    HD2  LYS  36           HD2      LYS  36  41.386  16.576   0.432
  223    HD3  LYS  36           HD1      LYS  36  41.931  14.924   0.141
  224    HE2  LYS  36           HE2      LYS  36  39.773  14.414  -0.960
  225    HE3  LYS  36           HE1      LYS  36  39.250  16.076  -0.689
  226    HZ1  LYS  36           HZ1      LYS  36  41.297  16.756  -1.945
  227    HZ2  LYS  36           HZ2      LYS  36  40.095  15.987  -2.869
  228    HZ3  LYS  36           HZ3      LYS  36  41.481  15.129  -2.391
  229    H    HIS  37           HN       HIS  37  42.288  13.715   5.061
  230    HA   HIS  37           HA       HIS  37  44.809  15.041   5.786
  231    HB2  HIS  37           HB2      HIS  37  42.647  13.957   7.608
  232    HB3  HIS  37           HB1      HIS  37  43.970  15.039   8.050
  233    HD2  HIS  37           HD2      HIS  37  40.442  15.223   6.379
  234    HE1  HIS  37           HE1      HIS  37  42.034  19.135   6.432
  235    HE2  HIS  37           HE2      HIS  37  39.953  17.756   5.970
  236    H    CYS  38           HN       CYS  38  43.454  11.922   5.400
  237    HA   CYS  38           HA       CYS  38  45.418  10.618   7.106
  238    HB2  CYS  38           HB2      CYS  38  43.214   9.427   5.400
  239    HB3  CYS  38           HB1      CYS  38  44.230   8.552   6.539
  Start of MODEL    7
    1    H1   ABA   1           HT1      ABU   1  15.713  -9.434 -12.852
    2    H2   ABA   1           HT2      ABU   1  14.618  -8.140 -12.964
    3    H3   ABA   1           HT3      ABU   1  14.188  -9.551 -12.122
    4    HA   ABA   1           HA       ABU   1  14.715  -8.078 -10.429
    5    HB2  ABA   1           HB2      ABU   1  17.482  -9.097 -10.650
    6    HG1  ABA   1           HG1      ABU   1  16.387 -10.827 -11.970
    7    HG3  ABA   1           HG3      ABU   1  16.730 -11.470 -10.364
    8    HG2  ABA   1           HG2      ABU   1  15.092 -10.962 -10.780
    9    H    DBU   2           HN       DHB   2  17.823  -8.143 -12.181
   10    HB   DBU   2           HB       DHB   2  19.687  -5.089 -13.611
   11    HG1  DBU   2           HG1      DHB   2  18.591  -6.839 -15.377
   12    HG2  DBU   2           HG2      DHB   2  19.094  -8.021 -14.169
   13    HG3  DBU   2           HG3      DHB   2  20.297  -7.002 -14.959
   14    HA   PRO   3           HA       PRO   3  18.624  -2.352 -10.520
   15    HB2  PRO   3           HB2      PRO   3  15.911  -1.685 -11.571
   16    HB3  PRO   3           HB1      PRO   3  17.357  -0.676 -11.484
   17    HG2  PRO   3           HG2      PRO   3  16.565  -1.660 -13.781
   18    HG3  PRO   3           HG1      PRO   3  18.290  -1.634 -13.364
   19    HD2  PRO   3           HD2      PRO   3  16.376  -3.931 -13.298
   20    HD3  PRO   3           HD1      PRO   3  18.070  -3.900 -13.813
   21    H    VAL   4           HN       VAL   4  15.492  -4.027 -10.738
   22    HA   VAL   4           HA       VAL   4  14.485  -3.203  -8.227
   23    HB   VAL   4           HB       VAL   4  13.869  -5.614  -9.946
   24   HG11  VAL   4          HG11      VAL   4  13.048  -6.392  -7.936
   25   HG12  VAL   4          HG12      VAL   4  11.688  -5.372  -8.408
   26   HG13  VAL   4          HG13      VAL   4  12.883  -4.773  -7.256
   27   HG21  VAL   4          HG21      VAL   4  13.159  -2.826 -10.012
   28   HG22  VAL   4          HG22      VAL   4  11.715  -3.778  -9.664
   29   HG23  VAL   4          HG23      VAL   4  12.663  -4.110 -11.114
   30    H    CYS   5           HN       CYS   5  16.246  -6.120  -9.231
   31    HA   CYS   5           HA       CYS   5  16.239  -7.370  -6.688
   32    HB2  CYS   5           HB2      CYS   5  17.903  -7.682  -9.174
   33    HB3  CYS   5           HB1      CYS   5  18.299  -8.576  -7.703
   34    H    ALA   6           HN       ALA   6  18.483  -5.148  -8.278
   35    HA   ALA   6           HA       ALA   6  20.565  -5.288  -6.381
   36    HB1  ALA   6           HB1      ALA   6  20.368  -2.645  -7.480
   37    HB2  ALA   6           HB2      ALA   6  20.002  -3.825  -8.739
   38    HB3  ALA   6           HB3      ALA   6  21.530  -3.917  -7.863
   39    H    VAL   7           HN       VAL   7  17.662  -3.269  -6.562
   40    HA   VAL   7           HA       VAL   7  18.286  -1.553  -4.414
   41    HB   VAL   7           HB       VAL   7  15.662  -2.435  -5.623
   42   HG11  VAL   7          HG11      VAL   7  15.448  -1.761  -3.215
   43   HG12  VAL   7          HG12      VAL   7  14.597  -0.690  -4.329
   44   HG13  VAL   7          HG13      VAL   7  16.145  -0.198  -3.641
   45   HG21  VAL   7          HG21      VAL   7  17.397   0.043  -5.826
   46   HG22  VAL   7          HG22      VAL   7  15.748  -0.038  -6.444
   47   HG23  VAL   7          HG23      VAL   7  16.995  -1.087  -7.119
   48    H    ALA   8           HN       ALA   8  16.487  -4.615  -4.569
   49    HA   ALA   8           HA       ALA   8  15.751  -4.705  -1.840
   50    HB1  ALA   8           HB1      ALA   8  15.914  -6.669  -4.075
   51    HB2  ALA   8           HB2      ALA   8  14.543  -6.236  -3.054
   52    HB3  ALA   8           HB3      ALA   8  15.802  -7.302  -2.432
   53    H    ALA   9           HN       ALA   9  18.603  -5.858  -3.585
   54    HA   ALA   9           HA       ALA   9  19.771  -7.300  -1.448
   55    HB1  ALA   9           HB1      ALA   9  21.417  -5.882  -3.520
   56    HB2  ALA   9           HB2      ALA   9  20.387  -7.236  -3.985
   57    HB3  ALA   9           HB3      ALA   9  21.668  -7.470  -2.795
   58    H    DBU  10           HN       DHB  10  19.949  -3.904  -2.433
   59    HB   DBU  10           HB       DHB  10  22.188  -1.284  -0.560
   60    HG1  DBU  10           HG1      DHB  10  22.453  -2.988  -3.092
   61    HG2  DBU  10           HG2      DHB  10  23.646  -1.853  -2.460
   62    HG3  DBU  10           HG3      DHB  10  22.165  -1.251  -3.207
   63    H    ALA  11           HN       ALA  11  18.492  -2.874  -0.319
   64    HA   ALA  11           HA       ALA  11  18.600  -1.951   2.348
   65    HB1  ALA  11           HB1      ALA  11  16.322  -1.997   2.261
   66    HB2  ALA  11           HB2      ALA  11  16.277  -3.603   1.534
   67    HB3  ALA  11           HB3      ALA  11  16.620  -2.191   0.534
   68    H    ALA  12           HN       ALA  12  18.405  -5.198   0.957
   69    HA   ALA  12           HA       ALA  12  17.988  -6.595   3.383
   70    HB1  ALA  12           HB1      ALA  12  18.728  -7.262   0.612
   71    HB2  ALA  12           HB2      ALA  12  17.613  -8.075   1.711
   72    HB3  ALA  12           HB3      ALA  12  19.346  -8.383   1.825
   73    H    ALA  13           HN       ALA  13  20.907  -5.558   1.686
   74    HA   ALA  13           HA       ALA  13  22.779  -6.949   3.286
   75    HB1  ALA  13           HB1      ALA  13  23.948  -6.153   1.525
   76    HB2  ALA  13           HB2      ALA  13  24.110  -4.682   2.485
   77    HB3  ALA  13           HB3      ALA  13  22.832  -4.810   1.277
   78    H    ALA  14           HN       ALA  14  21.231  -3.792   3.602
   79    HA   ALA  14           HA       ALA  14  22.795  -2.827   5.747
   80    HB2  ALA  14           HB2      ALA  14  20.822  -1.764   4.211
   81    HB3  ALA  14           HB3      ALA  14  19.946  -2.054   5.713
   82    H    DHA  15           HN       DHA  15  19.918  -4.887   5.621
   83    HB1  DHA  15           HB1      DHA  15  17.726  -5.997   6.821
   84    HB2  DHA  15           HB2      DHA  15  18.106  -6.640   8.523
   85    H    ALA  16           HN       ALA  16  21.988  -6.508   7.512
   86    HA   ALA  16           HA       ALA  16  22.394  -6.468  10.405
   87    HB1  ALA  16           HB1      ALA  16  24.673  -7.375   8.864
   88    HB2  ALA  16           HB2      ALA  16  23.197  -8.193   8.351
   89    HB3  ALA  16           HB3      ALA  16  23.698  -8.255  10.042
   90    H    ALA  17           HN       ALA  17  24.139  -5.328   7.492
   91    HA   ALA  17           HA       ALA  17  26.139  -3.884   8.837
   92    HB1  ALA  17           HB1      ALA  17  25.584  -2.514   6.437
   93    HB2  ALA  17           HB2      ALA  17  25.217  -4.212   6.129
   94    HB3  ALA  17           HB3      ALA  17  26.817  -3.746   6.708
   95    H    CYS  18           HN       CYS  18  23.031  -2.753   7.517
   96    HA   CYS  18           HA       CYS  18  23.287  -0.058   8.276
   97    HB2  CYS  18           HB2      CYS  18  20.883  -1.824   7.804
   98    HB3  CYS  18           HB1      CYS  18  20.743  -0.109   8.183
   99    H    GLY  19           HN       GLY  19  22.074  -2.891   9.992
  100    HA2  GLY  19           HA2      GLY  19  20.980  -1.580  12.232
  101    HA3  GLY  19           HA1      GLY  19  21.571  -3.239  12.211
  102    H    TRP  20           HN       TRP  20  24.265  -2.713  11.527
  103    HA   TRP  20           HA       TRP  20  25.393  -2.231  14.068
  104    HB2  TRP  20           HB2      TRP  20  26.594  -2.281  11.301
  105    HB3  TRP  20           HB1      TRP  20  27.559  -2.082  12.761
  106    HD1  TRP  20           HD1      TRP  20  25.940  -4.643  10.637
  107    HE1  TRP  20           HE1      TRP  20  26.148  -6.977  11.744
  108    HE3  TRP  20           HE3      TRP  20  27.543  -3.324  15.315
  109    HZ2  TRP  20           HZ2      TRP  20  26.868  -8.119  14.203
  110    HZ3  TRP  20           HZ3      TRP  20  27.976  -5.079  17.018
  111    HH2  TRP  20           HH2      TRP  20  27.633  -7.472  16.441
  112    H    VAL  21           HN       VAL  21  25.018  -0.155  11.223
  113    HA   VAL  21           HA       VAL  21  25.702   2.065  10.921
  114    HB   VAL  21           HB       VAL  21  23.384   2.019  11.826
  115   HG11  VAL  21          HG11      VAL  21  23.582   1.210  14.035
  116   HG12  VAL  21          HG12      VAL  21  23.286   2.934  14.262
  117   HG13  VAL  21          HG13      VAL  21  24.923   2.294  14.402
  118   HG21  VAL  21          HG21      VAL  21  24.741   4.428  12.953
  119   HG22  VAL  21          HG22      VAL  21  23.315   4.328  11.919
  120   HG23  VAL  21          HG23      VAL  21  24.920   4.083  11.232
  121    H    GLY  22           HN       GLY  22  27.778   0.721  12.226
  122    HA2  GLY  22           HA2      GLY  22  28.621   1.808  14.667
  123    HA3  GLY  22           HA1      GLY  22  29.693   1.170  13.421
  124    H    GLY  23           HN       GLY  23  27.935   3.471  11.890
  125    HA2  GLY  23           HA2      GLY  23  29.209   5.874  12.829
  126    HA3  GLY  23           HA1      GLY  23  29.954   5.254  11.357
  127    H    GLY  24           HN       GLY  24  26.586   5.456  12.521
  128    HA2  GLY  24           HA2      GLY  24  24.681   6.219  11.479
  129    HA3  GLY  24           HA1      GLY  24  25.715   7.487  10.818
  130    H    ILE  25           HN       ILE  25  23.731   4.966  10.005
  131    HA   ILE  25           HA       ILE  25  24.752   3.469   8.018
  132    HB   ILE  25           HB       ILE  25  22.270   3.984   8.785
  133   HG12  ILE  25          HG12      ILE  25  23.058   2.048   7.425
  134   HG13  ILE  25          HG11      ILE  25  21.491   2.653   6.879
  135   HG21  ILE  25          HG21      ILE  25  22.290   5.297   6.079
  136   HG22  ILE  25          HG22      ILE  25  22.454   6.238   7.562
  137   HG23  ILE  25          HG23      ILE  25  21.002   5.278   7.283
  138   HD11  ILE  25          HD11      ILE  25  22.568   2.553   4.844
  139   HD12  ILE  25          HD12      ILE  25  24.160   2.832   5.552
  140   HD13  ILE  25          HD13      ILE  25  23.044   4.180   5.334
  141    H    PHE  26           HN       PHE  26  24.390   6.917   7.990
  142    HA   PHE  26           HA       PHE  26  24.623   7.458   5.239
  143    HB2  PHE  26           HB2      PHE  26  24.048   9.192   6.875
  144    HB3  PHE  26           HB1      PHE  26  25.658   9.074   7.585
  145    HD1  PHE  26           HD1      PHE  26  23.864   9.829   4.396
  146    HD2  PHE  26           HD2      PHE  26  27.477  10.282   6.675
  147    HE1  PHE  26           HE1      PHE  26  24.731  11.424   2.705
  148    HE2  PHE  26           HE2      PHE  26  28.344  11.877   4.984
  149    HZ   PHE  26           HZ       PHE  26  26.970  12.448   3.000
  150    H    THR  27           HN       THR  27  27.156   7.018   7.731
  151    HA   THR  27           HA       THR  27  29.360   7.591   6.082
  152    HB   THR  27           HB       THR  27  29.163   5.664   8.410
  153    HG1  THR  27           HG1      THR  27  28.601   7.991   8.638
  154   HG21  THR  27          HG21      THR  27  31.620   6.163   8.606
  155   HG22  THR  27          HG22      THR  27  31.527   6.963   7.036
  156   HG23  THR  27          HG23      THR  27  31.189   5.236   7.169
  157    H    GLY  28           HN       GLY  28  27.708   4.514   6.766
  158    HA2  GLY  28           HA2      GLY  28  29.407   2.892   5.175
  159    HA3  GLY  28           HA1      GLY  28  27.768   2.481   5.681
  160    H    VAL  29           HN       VAL  29  26.433   4.682   4.484
  161    HA   VAL  29           HA       VAL  29  25.997   3.688   1.878
  162    HB   VAL  29           HB       VAL  29  25.167   6.207   3.309
  163   HG11  VAL  29          HG11      VAL  29  25.434   6.485   0.777
  164   HG12  VAL  29          HG12      VAL  29  23.841   6.835   1.446
  165   HG13  VAL  29          HG13      VAL  29  24.137   5.303   0.621
  166   HG21  VAL  29          HG21      VAL  29  23.194   5.083   3.714
  167   HG22  VAL  29          HG22      VAL  29  24.279   3.695   3.630
  168   HG23  VAL  29          HG23      VAL  29  23.306   4.141   2.228
  169    H    DBU  30           HN       DHB  30  27.734   6.558   3.081
  170    HB   DBU  30           HB       DHB  30  29.533   8.931   0.461
  171    HG1  DBU  30           HG1      DHB  30  27.582  10.234   0.592
  172    HG2  DBU  30           HG2      DHB  30  27.283   9.500   2.170
  173    HG3  DBU  30           HG3      DHB  30  26.611   8.765   0.713
  174    H    VAL  31           HN       VAL  31  29.950   5.568   3.063
  175    HA   VAL  31           HA       VAL  31  32.562   5.504   1.994
  176    HB   VAL  31           HB       VAL  31  31.025   3.924   4.005
  177   HG11  VAL  31          HG11      VAL  31  33.614   3.048   2.703
  178   HG12  VAL  31          HG12      VAL  31  32.121   2.123   2.859
  179   HG13  VAL  31          HG13      VAL  31  33.094   2.475   4.287
  180   HG21  VAL  31          HG21      VAL  31  32.145   5.430   5.258
  181   HG22  VAL  31          HG22      VAL  31  33.135   5.924   3.883
  182   HG23  VAL  31          HG23      VAL  31  33.619   4.543   4.867
  183    H    VAL  32           HN       VAL  32  29.821   3.248   1.671
  184    HA   VAL  32           HA       VAL  32  31.145   1.356   0.057
  185    HB   VAL  32           HB       VAL  32  29.026   0.911   1.237
  186   HG11  VAL  32          HG11      VAL  32  28.006   3.144   0.832
  187   HG12  VAL  32          HG12      VAL  32  26.930   1.829   0.358
  188   HG13  VAL  32          HG13      VAL  32  27.818   2.728  -0.871
  189   HG21  VAL  32          HG21      VAL  32  28.925   0.667  -1.780
  190   HG22  VAL  32          HG22      VAL  32  27.878  -0.219  -0.671
  191   HG23  VAL  32          HG23      VAL  32  29.619  -0.500  -0.657
  192    H    VAL  33           HN       VAL  33  29.124   4.159  -0.778
  193    HA   VAL  33           HA       VAL  33  29.193   3.762  -3.576
  194    HB   VAL  33           HB       VAL  33  28.582   6.177  -3.684
  195   HG11  VAL  33          HG11      VAL  33  27.194   4.037  -2.329
  196   HG12  VAL  33          HG12      VAL  33  26.530   5.307  -3.356
  197   HG13  VAL  33          HG13      VAL  33  26.737   5.588  -1.628
  198   HG21  VAL  33          HG21      VAL  33  29.050   5.988  -0.693
  199   HG22  VAL  33          HG22      VAL  33  28.228   7.333  -1.485
  200   HG23  VAL  33          HG23      VAL  33  29.928   7.011  -1.832
  201    H    DAL  34           HN       DAL  34  31.227   5.673  -1.378
  202    HA   DAL  34           HA       DAL  34  33.354   6.511  -1.655
  203    HB1  DAL  34           HB2      DAL  34  33.042   6.664  -4.606
  204    HB2  DAL  34           HB3      DAL  34  31.893   7.573  -3.640
  205    H    LEU  35           HN       LEU  35  33.151   3.829  -1.413
  206    HA   LEU  35           HA       LEU  35  35.552   2.840  -2.286
  207    HB2  LEU  35           HB2      LEU  35  33.137   1.799  -1.053
  208    HB3  LEU  35           HB1      LEU  35  33.855   0.613  -2.142
  209    HG   LEU  35           HG       LEU  35  34.909   0.267  -0.020
  210   HD11  LEU  35          HD11      LEU  35  37.030   2.029  -1.048
  211   HD12  LEU  35          HD12      LEU  35  36.344   0.949  -2.260
  212   HD13  LEU  35          HD13      LEU  35  37.050   0.285  -0.785
  213   HD21  LEU  35          HD21      LEU  35  34.717   3.220   0.100
  214   HD22  LEU  35          HD22      LEU  35  36.191   2.540   0.787
  215   HD23  LEU  35          HD23      LEU  35  34.618   2.033   1.400
  216    H    LYS  36           HN       LYS  36  32.739   3.408  -4.120
  217    HA   LYS  36           HA       LYS  36  33.579   1.550  -6.235
  218    HB2  LYS  36           HB2      LYS  36  31.057   3.140  -5.859
  219    HB3  LYS  36           HB1      LYS  36  31.405   2.144  -7.275
  220    HG2  LYS  36           HG2      LYS  36  31.725   0.183  -5.790
  221    HG3  LYS  36           HG1      LYS  36  31.290   1.188  -4.405
  222    HD2  LYS  36           HD2      LYS  36  29.119   1.691  -5.495
  223    HD3  LYS  36           HD1      LYS  36  29.554   0.586  -6.798
  224    HE2  LYS  36           HE2      LYS  36  29.299  -0.163  -3.872
  225    HE3  LYS  36           HE1      LYS  36  28.123  -0.539  -5.131
  226    HZ1  LYS  36           HZ1      LYS  36  30.929  -1.346  -5.476
  227    HZ2  LYS  36           HZ2      LYS  36  29.521  -2.045  -6.120
  228    HZ3  LYS  36           HZ3      LYS  36  29.913  -2.273  -4.482
  229    H    HIS  37           HN       HIS  37  32.597   4.965  -5.902
  230    HA   HIS  37           HA       HIS  37  33.917   5.564  -8.460
  231    HB2  HIS  37           HB2      HIS  37  32.151   7.334  -6.753
  232    HB3  HIS  37           HB1      HIS  37  32.679   7.651  -8.409
  233    HD2  HIS  37           HD2      HIS  37  30.099   5.364  -6.511
  234    HE1  HIS  37           HE1      HIS  37  29.455   4.914 -10.659
  235    HE2  HIS  37           HE2      HIS  37  28.553   4.348  -8.354
  236    H    CYS  38           HN       CYS  38  34.404   5.873  -5.101
  237    HA   CYS  38           HA       CYS  38  36.241   8.122  -5.320
  238    HB2  CYS  38           HB2      CYS  38  35.419   6.451  -2.927
  239    HB3  CYS  38           HB1      CYS  38  36.408   7.903  -2.879
  Start of MODEL    8
    1    H1   ABA   1           HT1      ABU   1  12.261 -10.186 -10.909
    2    H2   ABA   1           HT2      ABU   1  13.769 -10.529 -11.614
    3    H3   ABA   1           HT3      ABU   1  13.003  -9.045 -11.922
    4    HA   ABA   1           HA       ABU   1  13.135  -8.636  -9.436
    5    HB2  ABA   1           HB2      ABU   1  15.527 -10.382  -9.387
    6    HG1  ABA   1           HG1      ABU   1  14.261 -12.104 -10.302
    7    HG3  ABA   1           HG3      ABU   1  13.847 -12.267  -8.596
    8    HG2  ABA   1           HG2      ABU   1  12.741 -11.446  -9.698
    9    H    DBU   2           HN       DHB   2  16.304  -9.683 -10.627
   10    HB   DBU   2           HB       DHB   2  18.799  -7.372 -12.479
   11    HG1  DBU   2           HG1      DHB   2  17.201  -9.977 -12.884
   12    HG2  DBU   2           HG2      DHB   2  18.956  -9.884 -13.039
   13    HG3  DBU   2           HG3      DHB   2  17.923  -9.037 -14.191
   14    HA   PRO   3           HA       PRO   3  18.235  -3.965 -10.027
   15    HB2  PRO   3           HB2      PRO   3  15.688  -2.971 -11.208
   16    HB3  PRO   3           HB1      PRO   3  17.304  -2.274 -11.294
   17    HG2  PRO   3           HG2      PRO   3  16.232  -3.481 -13.373
   18    HG3  PRO   3           HG1      PRO   3  17.957  -3.672 -12.999
   19    HD2  PRO   3           HD2      PRO   3  15.710  -5.580 -12.549
   20    HD3  PRO   3           HD1      PRO   3  17.383  -5.912 -13.016
   21    H    VAL   4           HN       VAL   4  14.746  -4.780 -10.069
   22    HA   VAL   4           HA       VAL   4  14.120  -3.443  -7.654
   23    HB   VAL   4           HB       VAL   4  12.076  -4.972  -7.700
   24   HG11  VAL   4          HG11      VAL   4  12.864  -2.788  -9.360
   25   HG12  VAL   4          HG12      VAL   4  11.232  -3.244  -8.869
   26   HG13  VAL   4          HG13      VAL   4  11.925  -3.903 -10.351
   27   HG21  VAL   4          HG21      VAL   4  13.420  -6.734  -9.041
   28   HG22  VAL   4          HG22      VAL   4  13.099  -5.712 -10.439
   29   HG23  VAL   4          HG23      VAL   4  11.759  -6.422  -9.541
   30    H    CYS   5           HN       CYS   5  15.045  -6.777  -8.379
   31    HA   CYS   5           HA       CYS   5  14.642  -7.815  -5.778
   32    HB2  CYS   5           HB2      CYS   5  16.174  -8.670  -8.198
   33    HB3  CYS   5           HB1      CYS   5  16.502  -9.477  -6.660
   34    H    ALA   6           HN       ALA   6  17.450  -6.344  -7.360
   35    HA   ALA   6           HA       ALA   6  19.308  -6.812  -5.285
   36    HB1  ALA   6           HB1      ALA   6  19.141  -4.957  -7.616
   37    HB2  ALA   6           HB2      ALA   6  20.365  -6.164  -7.224
   38    HB3  ALA   6           HB3      ALA   6  20.342  -4.623  -6.367
   39    H    VAL   7           HN       VAL   7  17.038  -4.160  -5.886
   40    HA   VAL   7           HA       VAL   7  17.952  -2.424  -3.865
   41    HB   VAL   7           HB       VAL   7  15.240  -2.781  -5.151
   42   HG11  VAL   7          HG11      VAL   7  16.253  -0.658  -3.245
   43   HG12  VAL   7          HG12      VAL   7  14.915  -1.772  -2.971
   44   HG13  VAL   7          HG13      VAL   7  14.777  -0.513  -4.197
   45   HG21  VAL   7          HG21      VAL   7  16.544  -0.291  -5.686
   46   HG22  VAL   7          HG22      VAL   7  16.168  -1.587  -6.822
   47   HG23  VAL   7          HG23      VAL   7  17.709  -1.585  -5.966
   48    H    ALA   8           HN       ALA   8  15.439  -4.942  -3.856
   49    HA   ALA   8           HA       ALA   8  14.634  -4.551  -1.165
   50    HB1  ALA   8           HB1      ALA   8  13.785  -6.120  -3.287
   51    HB2  ALA   8           HB2      ALA   8  13.125  -6.146  -1.652
   52    HB3  ALA   8           HB3      ALA   8  14.378  -7.297  -2.115
   53    H    ALA   9           HN       ALA   9  17.078  -6.609  -2.677
   54    HA   ALA   9           HA       ALA   9  17.747  -8.116  -0.374
   55    HB1  ALA   9           HB1      ALA   9  19.122  -7.498  -2.967
   56    HB2  ALA   9           HB2      ALA   9  18.553  -9.048  -2.346
   57    HB3  ALA   9           HB3      ALA   9  20.009  -8.312  -1.678
   58    H    DBU  10           HN       DHB  10  18.904  -5.019  -1.642
   59    HB   DBU  10           HB       DHB  10  21.797  -3.008   0.096
   60    HG1  DBU  10           HG1      DHB  10  21.998  -5.156  -1.967
   61    HG2  DBU  10           HG2      DHB  10  23.055  -3.759  -1.759
   62    HG3  DBU  10           HG3      DHB  10  21.539  -3.594  -2.646
   63    H    ALA  11           HN       ALA  11  17.743  -3.481   0.237
   64    HA   ALA  11           HA       ALA  11  18.008  -2.256   2.773
   65    HB1  ALA  11           HB1      ALA  11  15.889  -2.780   0.861
   66    HB2  ALA  11           HB2      ALA  11  16.039  -1.471   2.033
   67    HB3  ALA  11           HB3      ALA  11  15.328  -3.010   2.518
   68    H    ALA  12           HN       ALA  12  17.027  -5.502   1.774
   69    HA   ALA  12           HA       ALA  12  16.134  -6.409   4.298
   70    HB1  ALA  12           HB1      ALA  12  15.715  -7.553   2.107
   71    HB2  ALA  12           HB2      ALA  12  16.308  -8.632   3.369
   72    HB3  ALA  12           HB3      ALA  12  17.403  -8.065   2.107
   73    H    ALA  13           HN       ALA  13  19.320  -6.392   2.760
   74    HA   ALA  13           HA       ALA  13  20.663  -7.952   4.704
   75    HB1  ALA  13           HB1      ALA  13  22.450  -6.021   3.613
   76    HB2  ALA  13           HB2      ALA  13  21.337  -6.511   2.335
   77    HB3  ALA  13           HB3      ALA  13  22.292  -7.725   3.186
   78    H    ALA  14           HN       ALA  14  20.001  -4.496   4.441
   79    HA   ALA  14           HA       ALA  14  21.646  -3.640   6.571
   80    HB2  ALA  14           HB2      ALA  14  20.132  -2.365   4.715
   81    HB3  ALA  14           HB3      ALA  14  19.124  -2.166   6.150
   82    H    DHA  15           HN       DHA  15  18.324  -4.861   6.463
   83    HB1  DHA  15           HB1      DHA  15  15.843  -5.111   7.619
   84    HB2  DHA  15           HB2      DHA  15  15.955  -5.564   9.416
   85    H    ALA  16           HN       ALA  16  19.803  -6.606   8.700
   86    HA   ALA  16           HA       ALA  16  20.049  -6.295  11.596
   87    HB1  ALA  16           HB1      ALA  16  21.843  -7.991   9.877
   88    HB2  ALA  16           HB2      ALA  16  20.218  -8.531  10.296
   89    HB3  ALA  16           HB3      ALA  16  21.398  -8.213  11.568
   90    H    ALA  17           HN       ALA  17  22.199  -6.058   8.742
   91    HA   ALA  17           HA       ALA  17  24.409  -4.957  10.077
   92    HB1  ALA  17           HB1      ALA  17  23.475  -4.746   7.212
   93    HB2  ALA  17           HB2      ALA  17  24.721  -5.805   7.872
   94    HB3  ALA  17           HB3      ALA  17  25.004  -4.068   7.770
   95    H    CYS  18           HN       CYS  18  21.789  -3.308   8.312
   96    HA   CYS  18           HA       CYS  18  22.679  -0.678   8.776
   97    HB2  CYS  18           HB2      CYS  18  19.930  -1.823   8.259
   98    HB3  CYS  18           HB1      CYS  18  20.252  -0.092   8.358
   99    H    GLY  19           HN       GLY  19  20.560  -2.825  10.629
  100    HA2  GLY  19           HA2      GLY  19  19.741  -0.939  12.570
  101    HA3  GLY  19           HA1      GLY  19  19.746  -2.687  12.780
  102    H    TRP  20           HN       TRP  20  22.389  -3.330  12.580
  103    HA   TRP  20           HA       TRP  20  23.393  -2.618  15.137
  104    HB2  TRP  20           HB2      TRP  20  24.674  -4.009  12.779
  105    HB3  TRP  20           HB1      TRP  20  25.472  -3.807  14.337
  106    HD1  TRP  20           HD1      TRP  20  23.207  -6.069  12.528
  107    HE1  TRP  20           HE1      TRP  20  22.148  -7.779  14.150
  108    HE3  TRP  20           HE3      TRP  20  24.431  -3.973  17.027
  109    HZ2  TRP  20           HZ2      TRP  20  21.849  -8.212  16.893
  110    HZ3  TRP  20           HZ3      TRP  20  23.730  -5.079  19.135
  111    HH2  TRP  20           HH2      TRP  20  22.439  -7.198  19.051
  112    H    VAL  21           HN       VAL  21  24.276  -1.629  11.850
  113    HA   VAL  21           HA       VAL  21  26.328   0.178  12.808
  114    HB   VAL  21           HB       VAL  21  25.158  -0.363  10.076
  115   HG11  VAL  21          HG11      VAL  21  26.291   1.405   9.228
  116   HG12  VAL  21          HG12      VAL  21  27.685   1.121  10.270
  117   HG13  VAL  21          HG13      VAL  21  26.294   2.013  10.882
  118   HG21  VAL  21          HG21      VAL  21  27.463  -1.326  11.675
  119   HG22  VAL  21          HG22      VAL  21  27.819  -0.940   9.992
  120   HG23  VAL  21          HG23      VAL  21  26.579  -2.133  10.381
  121    H    GLY  22           HN       GLY  22  26.072   2.275  13.283
  122    HA2  GLY  22           HA2      GLY  22  23.447   3.440  13.337
  123    HA3  GLY  22           HA1      GLY  22  24.949   4.228  13.810
  124    H    GLY  23           HN       GLY  23  24.725   2.738  10.688
  125    HA2  GLY  23           HA2      GLY  23  24.277   3.652   8.574
  126    HA3  GLY  23           HA1      GLY  23  24.004   5.218   9.332
  127    H    GLY  24           HN       GLY  24  26.754   4.164  10.712
  128    HA2  GLY  24           HA2      GLY  24  28.428   5.989   9.327
  129    HA3  GLY  24           HA1      GLY  24  28.960   4.799  10.512
  130    H    ILE  25           HN       ILE  25  28.048   2.472   9.176
  131    HA   ILE  25           HA       ILE  25  30.244   1.970   7.456
  132    HB   ILE  25           HB       ILE  25  28.687   0.366   8.890
  133   HG12  ILE  25          HG12      ILE  25  30.795  -0.221   7.686
  134   HG13  ILE  25          HG11      ILE  25  29.585  -1.502   7.592
  135   HG21  ILE  25          HG21      ILE  25  26.682   0.867   7.477
  136   HG22  ILE  25          HG22      ILE  25  27.095  -0.846   7.504
  137   HG23  ILE  25          HG23      ILE  25  27.513   0.140   6.102
  138   HD11  ILE  25          HD11      ILE  25  30.394   0.466   5.453
  139   HD12  ILE  25          HD12      ILE  25  28.858  -0.397   5.374
  140   HD13  ILE  25          HD13      ILE  25  30.376  -1.295   5.370
  141    H    PHE  26           HN       PHE  26  26.815   2.604   6.867
  142    HA   PHE  26           HA       PHE  26  26.805   2.164   4.089
  143    HB2  PHE  26           HB2      PHE  26  24.745   2.401   5.413
  144    HB3  PHE  26           HB1      PHE  26  25.122   4.100   5.699
  145    HD1  PHE  26           HD1      PHE  26  24.686   1.644   2.898
  146    HD2  PHE  26           HD2      PHE  26  24.342   5.723   4.203
  147    HE1  PHE  26           HE1      PHE  26  23.626   2.246   0.738
  148    HE2  PHE  26           HE2      PHE  26  23.281   6.324   2.043
  149    HZ   PHE  26           HZ       PHE  26  22.924   4.586   0.310
  150    H    THR  27           HN       THR  27  27.379   5.132   5.964
  151    HA   THR  27           HA       THR  27  27.744   6.826   3.717
  152    HB   THR  27           HB       THR  27  28.818   8.351   5.367
  153    HG1  THR  27           HG1      THR  27  28.263   7.002   7.569
  154   HG21  THR  27          HG21      THR  27  26.687   8.919   5.794
  155   HG22  THR  27          HG22      THR  27  26.629   7.680   7.047
  156   HG23  THR  27          HG23      THR  27  26.156   7.286   5.395
  157    H    GLY  28           HN       GLY  28  29.892   4.728   5.544
  158    HA2  GLY  28           HA2      GLY  28  32.347   5.735   4.542
  159    HA3  GLY  28           HA1      GLY  28  32.098   4.135   5.232
  160    H    VAL  29           HN       VAL  29  30.207   3.108   3.446
  161    HA   VAL  29           HA       VAL  29  31.861   2.204   1.340
  162    HB   VAL  29           HB       VAL  29  29.636   1.241   2.468
  163   HG11  VAL  29          HG11      VAL  29  28.231   3.045   1.446
  164   HG12  VAL  29          HG12      VAL  29  27.733   1.425   0.963
  165   HG13  VAL  29          HG13      VAL  29  28.665   2.429  -0.148
  166   HG21  VAL  29          HG21      VAL  29  30.359   0.755  -0.434
  167   HG22  VAL  29          HG22      VAL  29  29.581  -0.383   0.666
  168   HG23  VAL  29          HG23      VAL  29  31.255   0.098   0.935
  169    H    DBU  30           HN       DHB  30  29.219   4.584   1.446
  170    HB   DBU  30           HB       DHB  30  28.181   6.447  -1.892
  171    HG1  DBU  30           HG1      DHB  30  26.672   4.531  -0.347
  172    HG2  DBU  30           HG2      DHB  30  27.645   3.599  -1.485
  173    HG3  DBU  30           HG3      DHB  30  26.513   4.813  -2.081
  174    H    VAL  31           HN       VAL  31  30.585   6.559   1.628
  175    HA   VAL  31           HA       VAL  31  31.570   8.942   0.434
  176    HB   VAL  31           HB       VAL  31  32.199   7.509   3.014
  177   HG11  VAL  31          HG11      VAL  31  34.016   8.804   3.284
  178   HG12  VAL  31          HG12      VAL  31  33.060  10.250   2.959
  179   HG13  VAL  31          HG13      VAL  31  33.821   9.378   1.629
  180   HG21  VAL  31          HG21      VAL  31  30.676   8.948   3.959
  181   HG22  VAL  31          HG22      VAL  31  30.014   8.949   2.325
  182   HG23  VAL  31          HG23      VAL  31  31.073  10.259   2.848
  183    H    VAL  32           HN       VAL  32  33.101   5.835   1.289
  184    HA   VAL  32           HA       VAL  32  35.709   6.529   0.438
  185    HB   VAL  32           HB       VAL  32  34.295   3.876   0.760
  186   HG11  VAL  32          HG11      VAL  32  35.982   3.374  -0.797
  187   HG12  VAL  32          HG12      VAL  32  36.748   3.042   0.756
  188   HG13  VAL  32          HG13      VAL  32  37.101   4.543  -0.099
  189   HG21  VAL  32          HG21      VAL  32  34.822   4.166   2.928
  190   HG22  VAL  32          HG22      VAL  32  35.513   5.744   2.552
  191   HG23  VAL  32          HG23      VAL  32  36.527   4.302   2.497
  192    H    VAL  33           HN       VAL  33  33.092   4.757  -1.217
  193    HA   VAL  33           HA       VAL  33  34.352   4.135  -3.584
  194    HB   VAL  33           HB       VAL  33  32.171   3.318  -3.373
  195   HG11  VAL  33          HG11      VAL  33  31.693   5.532  -1.843
  196   HG12  VAL  33          HG12      VAL  33  30.445   4.413  -2.373
  197   HG13  VAL  33          HG13      VAL  33  30.743   5.896  -3.279
  198   HG21  VAL  33          HG21      VAL  33  31.505   5.635  -5.131
  199   HG22  VAL  33          HG22      VAL  33  31.193   3.918  -5.384
  200   HG23  VAL  33          HG23      VAL  33  32.818   4.564  -5.615
  201    H    DAL  34           HN       DAL  34  32.199   6.949  -3.280
  202    HA   DAL  34           HA       DAL  34  32.501   9.115  -4.020
  203    HB1  DAL  34           HB2      DAL  34  33.444   7.868  -6.548
  204    HB2  DAL  34           HB3      DAL  34  31.784   7.695  -6.027
  205    H    LEU  35           HN       LEU  35  34.504   8.701  -2.430
  206    HA   LEU  35           HA       LEU  35  36.560  10.407  -3.291
  207    HB2  LEU  35           HB2      LEU  35  36.080   8.632  -0.945
  208    HB3  LEU  35           HB1      LEU  35  37.719   9.214  -1.191
  209    HG   LEU  35           HG       LEU  35  36.568  10.803   0.232
  210   HD11  LEU  35          HD11      LEU  35  36.409  12.127  -2.458
  211   HD12  LEU  35          HD12      LEU  35  37.969  11.560  -1.862
  212   HD13  LEU  35          HD13      LEU  35  37.057  12.759  -0.944
  213   HD21  LEU  35          HD21      LEU  35  34.339  11.065   0.060
  214   HD22  LEU  35          HD22      LEU  35  34.334  10.076  -1.401
  215   HD23  LEU  35          HD23      LEU  35  34.552  11.822  -1.519
  216    H    LYS  36           HN       LYS  36  36.329   6.898  -3.190
  217    HA   LYS  36           HA       LYS  36  39.013   6.297  -3.785
  218    HB2  LYS  36           HB2      LYS  36  36.429   4.809  -4.201
  219    HB3  LYS  36           HB1      LYS  36  37.972   4.141  -4.730
  220    HG2  LYS  36           HG2      LYS  36  37.480   5.112  -1.906
  221    HG3  LYS  36           HG1      LYS  36  37.252   3.435  -2.403
  222    HD2  LYS  36           HD2      LYS  36  39.598   3.336  -3.148
  223    HD3  LYS  36           HD1      LYS  36  39.828   5.016  -2.658
  224    HE2  LYS  36           HE2      LYS  36  39.285   4.418  -0.330
  225    HE3  LYS  36           HE1      LYS  36  39.048   2.739  -0.814
  226    HZ1  LYS  36           HZ1      LYS  36  41.225   2.379  -0.803
  227    HZ2  LYS  36           HZ2      LYS  36  41.402   3.880  -0.026
  228    HZ3  LYS  36           HZ3      LYS  36  41.550   3.772  -1.715
  229    H    HIS  37           HN       HIS  37  36.222   7.011  -5.852
  230    HA   HIS  37           HA       HIS  37  38.115   7.165  -8.125
  231    HB2  HIS  37           HB2      HIS  37  35.265   6.147  -8.167
  232    HB3  HIS  37           HB1      HIS  37  36.279   6.389  -9.593
  233    HD2  HIS  37           HD2      HIS  37  35.745   3.756  -6.798
  234    HE1  HIS  37           HE1      HIS  37  39.129   2.540  -9.012
  235    HE2  HIS  37           HE2      HIS  37  37.462   1.836  -7.230
  236    H    CYS  38           HN       CYS  38  34.721   8.037  -7.446
  237    HA   CYS  38           HA       CYS  38  34.946  10.444  -9.013
  238    HB2  CYS  38           HB2      CYS  38  32.648  10.548  -8.874
  239    HB3  CYS  38           HB1      CYS  38  32.891   8.824  -8.595
  Start of MODEL    9
    1    H1   ABA   1           HT1      ABU   1  14.118 -13.410 -10.338
    2    H2   ABA   1           HT2      ABU   1  15.689 -12.999 -10.839
    3    H3   ABA   1           HT3      ABU   1  14.350 -12.147 -11.446
    4    HA   ABA   1           HA       ABU   1  13.919 -11.642  -8.940
    5    HB2  ABA   1           HB2      ABU   1  16.874 -12.278  -9.131
    6    HG1  ABA   1           HG1      ABU   1  15.899 -14.223  -8.365
    7    HG3  ABA   1           HG3      ABU   1  16.046 -13.367  -6.830
    8    HG2  ABA   1           HG2      ABU   1  14.505 -13.381  -7.688
    9    H    DBU   2           HN       DHB   2  17.066 -10.733 -10.317
   10    HB   DBU   2           HB       DHB   2  17.614  -7.493 -12.423
   11    HG1  DBU   2           HG1      DHB   2  17.093  -9.362 -14.105
   12    HG2  DBU   2           HG2      DHB   2  17.488 -10.527 -12.841
   13    HG3  DBU   2           HG3      DHB   2  18.742  -9.469 -13.489
   14    HA   PRO   3           HA       PRO   3  16.533  -5.070  -9.043
   15    HB2  PRO   3           HB2      PRO   3  14.388  -3.800 -10.179
   16    HB3  PRO   3           HB1      PRO   3  16.028  -3.698 -10.809
   17    HG2  PRO   3           HG2      PRO   3  13.730  -5.320 -11.704
   18    HG3  PRO   3           HG1      PRO   3  14.969  -4.473 -12.654
   19    HD2  PRO   3           HD2      PRO   3  15.037  -7.114 -12.207
   20    HD3  PRO   3           HD1      PRO   3  16.502  -6.146 -12.399
   21    H    VAL   4           HN       VAL   4  13.646  -6.939  -9.872
   22    HA   VAL   4           HA       VAL   4  11.973  -6.012  -7.788
   23    HB   VAL   4           HB       VAL   4  12.014  -8.624  -9.313
   24   HG11  VAL   4          HG11      VAL   4   9.752  -8.982  -8.441
   25   HG12  VAL   4          HG12      VAL   4   9.858  -7.492  -7.503
   26   HG13  VAL   4          HG13      VAL   4  10.897  -8.861  -7.104
   27   HG21  VAL   4          HG21      VAL   4  10.495  -7.621 -10.766
   28   HG22  VAL   4          HG22      VAL   4  11.519  -6.245 -10.357
   29   HG23  VAL   4          HG23      VAL   4   9.959  -6.450  -9.562
   30    H    CYS   5           HN       CYS   5  14.065  -8.888  -8.007
   31    HA   CYS   5           HA       CYS   5  13.593  -9.556  -5.221
   32    HB2  CYS   5           HB2      CYS   5  14.823 -11.520  -5.636
   33    HB3  CYS   5           HB1      CYS   5  13.975 -11.209  -7.149
   34    H    ALA   6           HN       ALA   6  16.265  -8.361  -7.209
   35    HA   ALA   6           HA       ALA   6  18.258  -8.282  -5.242
   36    HB1  ALA   6           HB1      ALA   6  17.818  -6.417  -7.587
   37    HB2  ALA   6           HB2      ALA   6  18.763  -7.906  -7.599
   38    HB3  ALA   6           HB3      ALA   6  19.307  -6.523  -6.649
   39    H    VAL   7           HN       VAL   7  15.882  -5.780  -6.167
   40    HA   VAL   7           HA       VAL   7  16.748  -3.847  -4.292
   41    HB   VAL   7           HB       VAL   7  14.101  -4.262  -5.692
   42   HG11  VAL   7          HG11      VAL   7  13.984  -1.705  -5.015
   43   HG12  VAL   7          HG12      VAL   7  15.016  -2.241  -3.689
   44   HG13  VAL   7          HG13      VAL   7  13.421  -2.958  -3.910
   45   HG21  VAL   7          HG21      VAL   7  15.936  -3.707  -7.191
   46   HG22  VAL   7          HG22      VAL   7  16.460  -2.404  -6.127
   47   HG23  VAL   7          HG23      VAL   7  14.928  -2.275  -6.991
   48    H    ALA   8           HN       ALA   8  14.157  -6.296  -4.192
   49    HA   ALA   8           HA       ALA   8  13.160  -5.615  -1.639
   50    HB1  ALA   8           HB1      ALA   8  11.754  -7.015  -2.866
   51    HB2  ALA   8           HB2      ALA   8  12.451  -8.129  -1.689
   52    HB3  ALA   8           HB3      ALA   8  13.072  -8.088  -3.340
   53    H    ALA   9           HN       ALA   9  15.641  -7.950  -2.649
   54    HA   ALA   9           HA       ALA   9  16.159  -9.007  -0.074
   55    HB1  ALA   9           HB1      ALA   9  18.459  -8.895  -1.900
   56    HB2  ALA   9           HB2      ALA   9  17.003  -9.584  -2.620
   57    HB3  ALA   9           HB3      ALA   9  17.678 -10.287  -1.150
   58    H    DBU  10           HN       DHB  10  17.478  -6.239  -1.845
   59    HB   DBU  10           HB       DHB  10  20.366  -4.010  -0.392
   60    HG1  DBU  10           HG1      DHB  10  20.375  -6.471  -2.163
   61    HG2  DBU  10           HG2      DHB  10  21.687  -5.317  -1.915
   62    HG3  DBU  10           HG3      DHB  10  20.339  -4.905  -2.975
   63    H    ALA  11           HN       ALA  11  16.296  -4.357  -0.312
   64    HA   ALA  11           HA       ALA  11  16.515  -2.694   1.965
   65    HB1  ALA  11           HB1      ALA  11  14.686  -2.881   0.037
   66    HB2  ALA  11           HB2      ALA  11  14.292  -2.212   1.622
   67    HB3  ALA  11           HB3      ALA  11  13.878  -3.885   1.242
   68    H    ALA  12           HN       ALA  12  15.427  -6.037   1.543
   69    HA   ALA  12           HA       ALA  12  14.488  -6.433   4.184
   70    HB1  ALA  12           HB1      ALA  12  15.705  -8.650   2.571
   71    HB2  ALA  12           HB2      ALA  12  14.202  -7.899   2.037
   72    HB3  ALA  12           HB3      ALA  12  14.285  -8.682   3.616
   73    H    ALA  13           HN       ALA  13  17.661  -6.849   2.680
   74    HA   ALA  13           HA       ALA  13  18.929  -8.105   4.880
   75    HB1  ALA  13           HB1      ALA  13  19.792  -6.757   2.383
   76    HB2  ALA  13           HB2      ALA  13  20.261  -8.324   3.040
   77    HB3  ALA  13           HB3      ALA  13  20.986  -6.848   3.677
   78    H    ALA  14           HN       ALA  14  18.460  -4.722   3.987
   79    HA   ALA  14           HA       ALA  14  20.170  -3.580   5.921
   80    HB2  ALA  14           HB2      ALA  14  18.690  -2.594   3.864
   81    HB3  ALA  14           HB3      ALA  14  17.728  -2.067   5.246
   82    H    DHA  15           HN       DHA  15  16.777  -4.599   6.044
   83    HB1  DHA  15           HB1      DHA  15  14.305  -4.528   7.230
   84    HB2  DHA  15           HB2      DHA  15  14.410  -4.638   9.078
   85    H    ALA  16           HN       ALA  16  18.166  -6.005   8.614
   86    HA   ALA  16           HA       ALA  16  18.453  -5.122  11.388
   87    HB1  ALA  16           HB1      ALA  16  18.586  -7.599  10.264
   88    HB2  ALA  16           HB2      ALA  16  19.321  -7.172  11.809
   89    HB3  ALA  16           HB3      ALA  16  20.296  -7.172  10.338
   90    H    ALA  17           HN       ALA  17  20.514  -5.547   8.502
   91    HA   ALA  17           HA       ALA  17  22.845  -4.409   9.598
   92    HB1  ALA  17           HB1      ALA  17  23.740  -4.624   7.497
   93    HB2  ALA  17           HB2      ALA  17  22.278  -4.044   6.698
   94    HB3  ALA  17           HB3      ALA  17  22.350  -5.693   7.316
   95    H    CYS  18           HN       CYS  18  20.331  -2.934   7.546
   96    HA   CYS  18           HA       CYS  18  21.400  -0.336   7.511
   97    HB2  CYS  18           HB2      CYS  18  18.568  -1.348   7.222
   98    HB3  CYS  18           HB1      CYS  18  19.027   0.337   6.986
   99    H    GLY  19           HN       GLY  19  19.242  -1.962   9.769
  100    HA2  GLY  19           HA2      GLY  19  18.608   0.347  11.321
  101    HA3  GLY  19           HA1      GLY  19  18.391  -1.326  11.822
  102    H    TRP  20           HN       TRP  20  21.136  -2.111  11.485
  103    HA   TRP  20           HA       TRP  20  22.161  -1.241  14.022
  104    HB2  TRP  20           HB2      TRP  20  23.295  -3.026  11.864
  105    HB3  TRP  20           HB1      TRP  20  24.109  -2.708  13.397
  106    HD1  TRP  20           HD1      TRP  20  20.316  -3.028  13.248
  107    HE1  TRP  20           HE1      TRP  20  19.623  -5.172  14.529
  108    HE3  TRP  20           HE3      TRP  20  24.897  -5.110  14.132
  109    HZ2  TRP  20           HZ2      TRP  20  20.807  -7.421  15.743
  110    HZ3  TRP  20           HZ3      TRP  20  25.074  -7.260  15.358
  111    HH2  TRP  20           HH2      TRP  20  23.017  -8.401  16.155
  112    H    VAL  21           HN       VAL  21  23.331  -0.930  10.663
  113    HA   VAL  21           HA       VAL  21  25.452   0.248  10.251
  114    HB   VAL  21           HB       VAL  21  23.343   2.383  10.211
  115   HG11  VAL  21          HG11      VAL  21  25.573   2.876   9.317
  116   HG12  VAL  21          HG12      VAL  21  24.394   2.812   8.008
  117   HG13  VAL  21          HG13      VAL  21  25.484   1.453   8.278
  118   HG21  VAL  21          HG21      VAL  21  22.237   1.359   8.362
  119   HG22  VAL  21          HG22      VAL  21  22.380   0.092   9.578
  120   HG23  VAL  21          HG23      VAL  21  23.485   0.123   8.204
  121    H    GLY  22           HN       GLY  22  26.815   0.513  11.990
  122    HA2  GLY  22           HA2      GLY  22  26.178   2.471  14.056
  123    HA3  GLY  22           HA1      GLY  22  27.584   1.410  14.018
  124    H    GLY  23           HN       GLY  23  27.069   2.887  11.041
  125    HA2  GLY  23           HA2      GLY  23  27.792   5.054  10.267
  126    HA3  GLY  23           HA1      GLY  23  28.836   5.163  11.680
  127    H    GLY  24           HN       GLY  24  29.351   2.129  10.961
  128    HA2  GLY  24           HA2      GLY  24  31.889   2.527   9.776
  129    HA3  GLY  24           HA1      GLY  24  31.076   0.976   9.967
  130    H    ILE  25           HN       ILE  25  28.747   1.578   8.440
  131    HA   ILE  25           HA       ILE  25  29.669   0.932   5.839
  132    HB   ILE  25           HB       ILE  25  27.331   0.572   7.073
  133   HG12  ILE  25          HG12      ILE  25  28.159  -0.370   4.871
  134   HG13  ILE  25          HG11      ILE  25  26.421  -0.065   4.928
  135   HG21  ILE  25          HG21      ILE  25  26.775   2.970   7.123
  136   HG22  ILE  25          HG22      ILE  25  25.633   2.093   6.104
  137   HG23  ILE  25          HG23      ILE  25  26.920   3.048   5.369
  138   HD11  ILE  25          HD11      ILE  25  28.377   1.045   3.135
  139   HD12  ILE  25          HD12      ILE  25  27.653   2.346   4.082
  140   HD13  ILE  25          HD13      ILE  25  26.627   1.271   3.131
  141    H    PHE  26           HN       PHE  26  28.448   3.920   7.284
  142    HA   PHE  26           HA       PHE  26  28.357   5.485   4.943
  143    HB2  PHE  26           HB2      PHE  26  27.321   6.203   7.050
  144    HB3  PHE  26           HB1      PHE  26  28.913   6.349   7.796
  145    HD1  PHE  26           HD1      PHE  26  26.725   7.682   5.099
  146    HD2  PHE  26           HD2      PHE  26  30.295   8.257   7.417
  147    HE1  PHE  26           HE1      PHE  26  26.945   9.980   4.190
  148    HE2  PHE  26           HE2      PHE  26  30.516  10.554   6.508
  149    HZ   PHE  26           HZ       PHE  26  28.840  11.416   4.896
  150    H    THR  27           HN       THR  27  30.968   4.954   7.303
  151    HA   THR  27           HA       THR  27  32.837   6.754   6.251
  152    HB   THR  27           HB       THR  27  33.305   4.078   7.592
  153    HG1  THR  27           HG1      THR  27  32.893   5.118   9.357
  154   HG21  THR  27          HG21      THR  27  35.529   4.498   7.564
  155   HG22  THR  27          HG22      THR  27  35.295   6.214   7.901
  156   HG23  THR  27          HG23      THR  27  35.156   5.613   6.249
  157    H    GLY  28           HN       GLY  28  32.359   3.293   5.520
  158    HA2  GLY  28           HA2      GLY  28  34.391   3.136   3.544
  159    HA3  GLY  28           HA1      GLY  28  33.063   1.999   3.746
  160    H    VAL  29           HN       VAL  29  30.943   3.917   3.417
  161    HA   VAL  29           HA       VAL  29  30.680   3.877   0.598
  162    HB   VAL  29           HB       VAL  29  29.104   5.279   2.762
  163   HG11  VAL  29          HG11      VAL  29  29.146   6.067   0.152
  164   HG12  VAL  29          HG12      VAL  29  27.739   6.207   1.206
  165   HG13  VAL  29          HG13      VAL  29  27.888   4.833   0.110
  166   HG21  VAL  29          HG21      VAL  29  28.218   2.986   1.021
  167   HG22  VAL  29          HG22      VAL  29  27.631   3.457   2.616
  168   HG23  VAL  29          HG23      VAL  29  29.206   2.682   2.450
  169    H    DBU  30           HN       DHB  30  31.414   6.467   2.923
  170    HB   DBU  30           HB       DHB  30  32.035  10.144   1.605
  171    HG1  DBU  30           HG1      DHB  30  29.378   8.914   1.707
  172    HG2  DBU  30           HG2      DHB  30  29.816  10.529   2.266
  173    HG3  DBU  30           HG3      DHB  30  29.966   9.148   3.354
  174    H    VAL  31           HN       VAL  31  33.868   6.423   2.549
  175    HA   VAL  31           HA       VAL  31  36.188   7.703   1.604
  176    HB   VAL  31           HB       VAL  31  35.730   5.643   3.295
  177   HG11  VAL  31          HG11      VAL  31  36.858   4.385   0.776
  178   HG12  VAL  31          HG12      VAL  31  35.232   4.109   1.393
  179   HG13  VAL  31          HG13      VAL  31  36.631   3.582   2.329
  180   HG21  VAL  31          HG21      VAL  31  38.390   5.570   1.981
  181   HG22  VAL  31          HG22      VAL  31  37.979   5.796   3.682
  182   HG23  VAL  31          HG23      VAL  31  37.857   7.149   2.557
  183    H    VAL  32           HN       VAL  32  34.290   5.008   0.246
  184    HA   VAL  32           HA       VAL  32  35.934   4.531  -1.990
  185    HB   VAL  32           HB       VAL  32  33.837   3.233  -0.965
  186   HG11  VAL  32          HG11      VAL  32  31.895   3.494  -2.531
  187   HG12  VAL  32          HG12      VAL  32  32.691   4.911  -3.216
  188   HG13  VAL  32          HG13      VAL  32  32.179   4.918  -1.530
  189   HG21  VAL  32          HG21      VAL  32  34.734   1.850  -2.502
  190   HG22  VAL  32          HG22      VAL  32  35.278   3.206  -3.489
  191   HG23  VAL  32          HG23      VAL  32  33.641   2.577  -3.680
  192    H    VAL  33           HN       VAL  33  33.057   6.586  -1.592
  193    HA   VAL  33           HA       VAL  33  32.946   7.496  -4.264
  194    HB   VAL  33           HB       VAL  33  31.613   9.384  -3.288
  195   HG11  VAL  33          HG11      VAL  33  30.839   6.682  -2.162
  196   HG12  VAL  33          HG12      VAL  33  30.677   7.098  -3.868
  197   HG13  VAL  33          HG13      VAL  33  29.758   7.986  -2.652
  198   HG21  VAL  33          HG21      VAL  33  32.283   7.964  -0.695
  199   HG22  VAL  33          HG22      VAL  33  31.117   9.276  -0.866
  200   HG23  VAL  33          HG23      VAL  33  32.830   9.574  -1.159
  201    H    DAL  34           HN       DAL  34  34.558   8.761  -1.376
  202    HA   DAL  34           HA       DAL  34  36.401  10.113  -1.205
  203    HB1  DAL  34           HB2      DAL  34  34.915  11.809  -3.191
  204    HB2  DAL  34           HB3      DAL  34  34.520  11.719  -1.485
  205    H    LEU  35           HN       LEU  35  37.416   8.210  -2.430
  206    HA   LEU  35           HA       LEU  35  39.382   9.212  -4.142
  207    HB2  LEU  35           HB2      LEU  35  39.542   7.122  -2.769
  208    HB3  LEU  35           HB1      LEU  35  38.457   6.333  -3.919
  209    HG   LEU  35           HG       LEU  35  40.064   6.845  -5.750
  210   HD11  LEU  35          HD11      LEU  35  41.201   8.485  -3.638
  211   HD12  LEU  35          HD12      LEU  35  41.527   8.521  -5.372
  212   HD13  LEU  35          HD13      LEU  35  42.418   7.411  -4.330
  213   HD21  LEU  35          HD21      LEU  35  42.040   5.524  -4.264
  214   HD22  LEU  35          HD22      LEU  35  40.760   4.762  -5.207
  215   HD23  LEU  35          HD23      LEU  35  40.524   5.068  -3.487
  216    H    LYS  36           HN       LYS  36  36.351   7.514  -4.830
  217    HA   LYS  36           HA       LYS  36  36.721   7.171  -7.599
  218    HB2  LYS  36           HB2      LYS  36  34.239   7.398  -5.918
  219    HB3  LYS  36           HB1      LYS  36  34.195   7.088  -7.655
  220    HG2  LYS  36           HG2      LYS  36  35.663   5.107  -7.315
  221    HG3  LYS  36           HG1      LYS  36  35.610   5.396  -5.576
  222    HD2  LYS  36           HD2      LYS  36  33.174   5.131  -5.591
  223    HD3  LYS  36           HD1      LYS  36  33.211   4.877  -7.334
  224    HE2  LYS  36           HE2      LYS  36  34.602   2.868  -7.028
  225    HE3  LYS  36           HE1      LYS  36  34.592   3.120  -5.284
  226    HZ1  LYS  36           HZ1      LYS  36  32.841   1.727  -5.420
  227    HZ2  LYS  36           HZ2      LYS  36  32.488   2.127  -7.032
  228    HZ3  LYS  36           HZ3      LYS  36  31.992   3.153  -5.771
  229    H    HIS  37           HN       HIS  37  35.437   9.861  -5.709
  230    HA   HIS  37           HA       HIS  37  35.312  11.457  -8.200
  231    HB2  HIS  37           HB2      HIS  37  33.617  11.654  -5.701
  232    HB3  HIS  37           HB1      HIS  37  33.572  12.814  -7.030
  233    HD2  HIS  37           HD2      HIS  37  32.414   9.135  -6.270
  234    HE1  HIS  37           HE1      HIS  37  30.979  10.198 -10.099
  235    HE2  HIS  37           HE2      HIS  37  30.890   8.434  -8.274
  236    H    CYS  38           HN       CYS  38  35.517  11.969  -4.663
  237    HA   CYS  38           HA       CYS  38  37.166  14.331  -5.105
  238    HB2  CYS  38           HB2      CYS  38  36.622  14.954  -2.951
  239    HB3  CYS  38           HB1      CYS  38  35.199  14.007  -3.381
  Start of MODEL   10
    1    H1   ABA   1           HT1      ABU   1  14.442 -10.805 -11.203
    2    H2   ABA   1           HT2      ABU   1  13.579  -9.856 -12.317
    3    H3   ABA   1           HT3      ABU   1  12.750 -10.714 -11.107
    4    HA   ABA   1           HA       ABU   1  12.893  -8.348 -10.580
    5    HB2  ABA   1           HB2      ABU   1  13.456 -10.528  -8.941
    6    HG1  ABA   1           HG1      ABU   1  11.945  -8.303  -8.874
    7    HG3  ABA   1           HG3      ABU   1  12.224  -9.300  -7.447
    8    HG2  ABA   1           HG2      ABU   1  13.176  -7.838  -7.702
    9    H    DBU   2           HN       DHB   2  16.001 -10.005 -10.972
   10    HB   DBU   2           HB       DHB   2  19.214  -8.326 -12.294
   11    HG1  DBU   2           HG1      DHB   2  18.914 -10.690 -13.130
   12    HG2  DBU   2           HG2      DHB   2  17.975  -9.636 -14.184
   13    HG3  DBU   2           HG3      DHB   2  17.171 -10.542 -12.902
   14    HA   PRO   3           HA       PRO   3  19.067  -5.037  -9.530
   15    HB2  PRO   3           HB2      PRO   3  17.304  -3.325 -11.219
   16    HB3  PRO   3           HB1      PRO   3  19.017  -3.136 -10.838
   17    HG2  PRO   3           HG2      PRO   3  18.284  -3.953 -13.212
   18    HG3  PRO   3           HG1      PRO   3  19.665  -4.714 -12.397
   19    HD2  PRO   3           HD2      PRO   3  16.857  -5.712 -12.662
   20    HD3  PRO   3           HD1      PRO   3  18.380  -6.598 -12.837
   21    H    VAL   4           HN       VAL   4  15.645  -5.327 -10.345
   22    HA   VAL   4           HA       VAL   4  14.581  -3.615  -8.382
   23    HB   VAL   4           HB       VAL   4  13.425  -6.078  -9.701
   24   HG11  VAL   4          HG11      VAL   4  11.417  -4.278  -8.790
   25   HG12  VAL   4          HG12      VAL   4  12.492  -4.596  -7.428
   26   HG13  VAL   4          HG13      VAL   4  11.704  -5.937  -8.262
   27   HG21  VAL   4          HG21      VAL   4  13.553  -3.157 -10.314
   28   HG22  VAL   4          HG22      VAL   4  12.056  -4.002 -10.703
   29   HG23  VAL   4          HG23      VAL   4  13.579  -4.536 -11.413
   30    H    CYS   5           HN       CYS   5  15.183  -7.129  -8.292
   31    HA   CYS   5           HA       CYS   5  14.342  -7.308  -5.521
   32    HB2  CYS   5           HB2      CYS   5  15.662  -9.631  -5.941
   33    HB3  CYS   5           HB1      CYS   5  13.990  -9.367  -6.390
   34    H    ALA   6           HN       ALA   6  17.391  -7.758  -7.240
   35    HA   ALA   6           HA       ALA   6  19.086  -8.163  -5.089
   36    HB1  ALA   6           HB1      ALA   6  19.543  -6.797  -7.739
   37    HB2  ALA   6           HB2      ALA   6  19.998  -8.431  -7.258
   38    HB3  ALA   6           HB3      ALA   6  20.846  -7.044  -6.576
   39    H    VAL   7           HN       VAL   7  18.100  -5.056  -6.526
   40    HA   VAL   7           HA       VAL   7  19.614  -3.423  -4.795
   41    HB   VAL   7           HB       VAL   7  17.079  -2.889  -6.351
   42   HG11  VAL   7          HG11      VAL   7  17.522  -0.526  -5.945
   43   HG12  VAL   7          HG12      VAL   7  18.949  -0.933  -4.993
   44   HG13  VAL   7          HG13      VAL   7  17.344  -1.366  -4.405
   45   HG21  VAL   7          HG21      VAL   7  18.551  -1.885  -7.967
   46   HG22  VAL   7          HG22      VAL   7  19.240  -3.460  -7.573
   47   HG23  VAL   7          HG23      VAL   7  19.928  -1.996  -6.870
   48    H    ALA   8           HN       ALA   8  16.246  -4.570  -4.655
   49    HA   ALA   8           HA       ALA   8  15.530  -3.194  -2.293
   50    HB1  ALA   8           HB1      ALA   8  14.111  -4.578  -4.062
   51    HB2  ALA   8           HB2      ALA   8  13.551  -4.366  -2.403
   52    HB3  ALA   8           HB3      ALA   8  14.343  -5.868  -2.882
   53    H    ALA   9           HN       ALA   9  16.991  -6.367  -2.847
   54    HA   ALA   9           HA       ALA   9  16.838  -7.302  -0.180
   55    HB1  ALA   9           HB1      ALA   9  18.802  -8.766  -0.928
   56    HB2  ALA   9           HB2      ALA   9  18.649  -7.974  -2.497
   57    HB3  ALA   9           HB3      ALA   9  17.306  -8.917  -1.850
   58    H    DBU  10           HN       DHB  10  19.254  -5.374  -1.913
   59    HB   DBU  10           HB       DHB  10  22.570  -4.118  -0.262
   60    HG1  DBU  10           HG1      DHB  10  21.643  -6.031  -2.478
   61    HG2  DBU  10           HG2      DHB  10  23.089  -6.337  -1.516
   62    HG3  DBU  10           HG3      DHB  10  23.019  -4.933  -2.581
   63    H    ALA  11           HN       ALA  11  18.690  -3.027  -0.463
   64    HA   ALA  11           HA       ALA  11  19.306  -1.546   1.865
   65    HB1  ALA  11           HB1      ALA  11  16.541  -1.779   0.689
   66    HB2  ALA  11           HB2      ALA  11  17.819  -0.876  -0.123
   67    HB3  ALA  11           HB3      ALA  11  17.282  -0.391   1.485
   68    H    ALA  12           HN       ALA  12  17.130  -4.274   1.280
   69    HA   ALA  12           HA       ALA  12  15.881  -4.277   3.821
   70    HB1  ALA  12           HB1      ALA  12  14.937  -5.507   1.942
   71    HB2  ALA  12           HB2      ALA  12  15.278  -6.619   3.267
   72    HB3  ALA  12           HB3      ALA  12  16.360  -6.546   1.876
   73    H    ALA  13           HN       ALA  13  18.829  -5.778   2.591
   74    HA   ALA  13           HA       ALA  13  19.376  -7.420   4.828
   75    HB1  ALA  13           HB1      ALA  13  20.639  -7.961   2.949
   76    HB2  ALA  13           HB2      ALA  13  21.816  -7.099   3.940
   77    HB3  ALA  13           HB3      ALA  13  21.024  -6.276   2.597
   78    H    ALA  14           HN       ALA  14  20.150  -4.057   4.079
   79    HA   ALA  14           HA       ALA  14  21.939  -3.602   6.216
   80    HB2  ALA  14           HB2      ALA  14  21.065  -2.114   4.101
   81    HB3  ALA  14           HB3      ALA  14  20.236  -1.328   5.444
   82    H    DHA  15           HN       DHA  15  18.408  -3.464   5.995
   83    HB1  DHA  15           HB1      DHA  15  15.988  -2.600   6.961
   84    HB2  DHA  15           HB2      DHA  15  15.874  -2.763   8.805
   85    H    ALA  16           HN       ALA  16  18.987  -5.293   8.603
   86    HA   ALA  16           HA       ALA  16  19.306  -4.593  11.421
   87    HB1  ALA  16           HB1      ALA  16  18.566  -6.830  11.051
   88    HB2  ALA  16           HB2      ALA  16  20.255  -6.943  11.547
   89    HB3  ALA  16           HB3      ALA  16  19.821  -7.117   9.845
   90    H    ALA  17           HN       ALA  17  21.381  -5.582   8.681
   91    HA   ALA  17           HA       ALA  17  23.844  -5.310  10.023
   92    HB1  ALA  17           HB1      ALA  17  23.498  -6.479   7.842
   93    HB2  ALA  17           HB2      ALA  17  24.856  -5.354   7.830
   94    HB3  ALA  17           HB3      ALA  17  23.330  -4.902   7.070
   95    H    CYS  18           HN       CYS  18  22.153  -3.021   7.874
   96    HA   CYS  18           HA       CYS  18  24.037  -0.932   8.097
   97    HB2  CYS  18           HB2      CYS  18  21.074  -0.904   7.471
   98    HB3  CYS  18           HB1      CYS  18  22.126   0.503   7.321
   99    H    GLY  19           HN       GLY  19  21.066  -1.664   9.880
  100    HA2  GLY  19           HA2      GLY  19  21.151   0.619  11.581
  101    HA3  GLY  19           HA1      GLY  19  20.206  -0.843  11.854
  102    H    TRP  20           HN       TRP  20  22.552  -2.589  11.717
  103    HA   TRP  20           HA       TRP  20  23.204  -2.749  14.433
  104    HB2  TRP  20           HB2      TRP  20  23.767  -4.194  12.052
  105    HB3  TRP  20           HB1      TRP  20  25.306  -3.896  12.863
  106    HD1  TRP  20           HD1      TRP  20  24.065  -3.833  15.807
  107    HE1  TRP  20           HE1      TRP  20  23.442  -6.095  16.922
  108    HE3  TRP  20           HE3      TRP  20  23.635  -6.801  11.678
  109    HZ2  TRP  20           HZ2      TRP  20  22.854  -8.748  16.182
  110    HZ3  TRP  20           HZ3      TRP  20  23.037  -9.201  11.923
  111    HH2  TRP  20           HH2      TRP  20  22.652 -10.156  14.183
  112    H    VAL  21           HN       VAL  21  25.174  -1.556  11.739
  113    HA   VAL  21           HA       VAL  21  27.345  -0.713  13.366
  114    HB   VAL  21           HB       VAL  21  26.595   0.233  10.594
  115   HG11  VAL  21          HG11      VAL  21  28.266   1.650  11.543
  116   HG12  VAL  21          HG12      VAL  21  29.126   0.514  10.504
  117   HG13  VAL  21          HG13      VAL  21  29.119   0.281  12.252
  118   HG21  VAL  21          HG21      VAL  21  27.064  -1.867   9.916
  119   HG22  VAL  21          HG22      VAL  21  27.448  -2.354  11.567
  120   HG23  VAL  21          HG23      VAL  21  28.700  -1.656  10.540
  121    H    GLY  22           HN       GLY  22  24.295   0.662  12.530
  122    HA2  GLY  22           HA2      GLY  22  23.272   2.511  13.529
  123    HA3  GLY  22           HA1      GLY  22  24.825   2.971  14.221
  124    H    GLY  23           HN       GLY  23  24.863   2.206  10.885
  125    HA2  GLY  23           HA2      GLY  23  24.569   3.611   8.992
  126    HA3  GLY  23           HA1      GLY  23  24.504   5.004  10.066
  127    H    GLY  24           HN       GLY  24  26.952   3.314  11.308
  128    HA2  GLY  24           HA2      GLY  24  28.973   5.053  10.341
  129    HA3  GLY  24           HA1      GLY  24  29.237   3.606  11.310
  130    H    ILE  25           HN       ILE  25  28.112   1.702   9.561
  131    HA   ILE  25           HA       ILE  25  30.316   1.214   7.836
  132    HB   ILE  25           HB       ILE  25  28.529  -0.394   8.976
  133   HG12  ILE  25          HG12      ILE  25  30.606  -1.049   7.769
  134   HG13  ILE  25          HG11      ILE  25  29.263  -2.139   7.420
  135   HG21  ILE  25          HG21      ILE  25  27.446   0.067   6.177
  136   HG22  ILE  25          HG22      ILE  25  26.616   0.450   7.686
  137   HG23  ILE  25          HG23      ILE  25  26.941  -1.230   7.259
  138   HD11  ILE  25          HD11      ILE  25  30.655  -0.227   5.637
  139   HD12  ILE  25          HD12      ILE  25  28.901  -0.290   5.463
  140   HD13  ILE  25          HD13      ILE  25  29.862  -1.754   5.250
  141    H    PHE  26           HN       PHE  26  27.004   2.318   7.289
  142    HA   PHE  26           HA       PHE  26  27.050   2.344   4.470
  143    HB2  PHE  26           HB2      PHE  26  24.987   2.575   5.814
  144    HB3  PHE  26           HB1      PHE  26  25.522   4.171   6.343
  145    HD1  PHE  26           HD1      PHE  26  24.806   2.168   3.271
  146    HD2  PHE  26           HD2      PHE  26  25.061   6.074   5.036
  147    HE1  PHE  26           HE1      PHE  26  23.873   3.163   1.200
  148    HE2  PHE  26           HE2      PHE  26  24.128   7.071   2.965
  149    HZ   PHE  26           HZ       PHE  26  23.535   5.615   1.047
  150    H    THR  27           HN       THR  27  27.911   4.835   6.855
  151    HA   THR  27           HA       THR  27  28.428   6.933   5.064
  152    HB   THR  27           HB       THR  27  29.927   6.403   7.637
  153    HG1  THR  27           HG1      THR  27  27.365   6.549   7.341
  154   HG21  THR  27          HG21      THR  27  30.910   8.269   6.646
  155   HG22  THR  27          HG22      THR  27  29.644   9.013   7.622
  156   HG23  THR  27          HG23      THR  27  29.403   8.785   5.889
  157    H    GLY  28           HN       GLY  28  30.602   4.422   6.354
  158    HA2  GLY  28           HA2      GLY  28  32.923   5.326   4.996
  159    HA3  GLY  28           HA1      GLY  28  32.676   3.705   5.642
  160    H    VAL  29           HN       VAL  29  30.409   2.960   4.177
  161    HA   VAL  29           HA       VAL  29  31.566   2.035   1.774
  162    HB   VAL  29           HB       VAL  29  28.742   2.073   2.833
  163   HG11  VAL  29          HG11      VAL  29  29.218   0.191   0.688
  164   HG12  VAL  29          HG12      VAL  29  29.493   1.842   0.137
  165   HG13  VAL  29          HG13      VAL  29  27.943   1.398   0.850
  166   HG21  VAL  29          HG21      VAL  29  29.211  -0.393   2.978
  167   HG22  VAL  29          HG22      VAL  29  30.263   0.583   4.003
  168   HG23  VAL  29          HG23      VAL  29  30.870  -0.061   2.477
  169    H    DBU  30           HN       DHB  30  29.171   4.597   2.437
  170    HB   DBU  30           HB       DHB  30  27.756   6.739  -0.578
  171    HG1  DBU  30           HG1      DHB  30  27.013   3.943  -0.178
  172    HG2  DBU  30           HG2      DHB  30  25.911   5.293  -0.447
  173    HG3  DBU  30           HG3      DHB  30  26.408   4.874   1.192
  174    H    VAL  31           HN       VAL  31  30.740   6.464   2.430
  175    HA   VAL  31           HA       VAL  31  31.736   8.782   1.132
  176    HB   VAL  31           HB       VAL  31  32.690   7.190   3.512
  177   HG11  VAL  31          HG11      VAL  31  33.698   9.868   2.517
  178   HG12  VAL  31          HG12      VAL  31  34.571   8.347   2.335
  179   HG13  VAL  31          HG13      VAL  31  34.258   8.996   3.944
  180   HG21  VAL  31          HG21      VAL  31  31.857   9.980   3.827
  181   HG22  VAL  31          HG22      VAL  31  31.326   8.547   4.707
  182   HG23  VAL  31          HG23      VAL  31  30.577   8.963   3.164
  183    H    VAL  32           HN       VAL  32  33.051   5.503   1.607
  184    HA   VAL  32           HA       VAL  32  35.544   5.944   0.373
  185    HB   VAL  32           HB       VAL  32  33.884   3.559   1.056
  186   HG11  VAL  32          HG11      VAL  32  36.331   3.487  -0.736
  187   HG12  VAL  32          HG12      VAL  32  34.693   3.021  -1.196
  188   HG13  VAL  32          HG13      VAL  32  35.574   2.075   0.004
  189   HG21  VAL  32          HG21      VAL  32  36.368   3.052   1.923
  190   HG22  VAL  32          HG22      VAL  32  35.258   4.082   2.827
  191   HG23  VAL  32          HG23      VAL  32  36.491   4.807   1.794
  192    H    VAL  33           HN       VAL  33  32.523   4.588  -0.938
  193    HA   VAL  33           HA       VAL  33  33.349   4.064  -3.521
  194    HB   VAL  33           HB       VAL  33  31.171   3.361  -3.043
  195   HG11  VAL  33          HG11      VAL  33  29.908   5.945  -2.478
  196   HG12  VAL  33          HG12      VAL  33  31.120   5.491  -1.287
  197   HG13  VAL  33          HG13      VAL  33  29.768   4.415  -1.613
  198   HG21  VAL  33          HG21      VAL  33  31.431   4.541  -5.275
  199   HG22  VAL  33          HG22      VAL  33  30.666   5.942  -4.525
  200   HG23  VAL  33          HG23      VAL  33  29.775   4.427  -4.675
  201    H    DAL  34           HN       DAL  34  31.485   6.960  -2.663
  202    HA   DAL  34           HA       DAL  34  31.967   9.176  -3.177
  203    HB1  DAL  34           HB2      DAL  34  31.791   7.980  -5.927
  204    HB2  DAL  34           HB3      DAL  34  30.413   8.327  -4.895
  205    H    LEU  35           HN       LEU  35  34.239   8.742  -2.278
  206    HA   LEU  35           HA       LEU  35  36.068  10.185  -3.823
  207    HB2  LEU  35           HB2      LEU  35  36.164   9.989  -1.357
  208    HB3  LEU  35           HB1      LEU  35  36.645   8.300  -1.523
  209    HG   LEU  35           HG       LEU  35  38.655   8.969  -2.756
  210   HD11  LEU  35          HD11      LEU  35  38.581  10.932  -3.862
  211   HD12  LEU  35          HD12      LEU  35  38.737  11.755  -2.309
  212   HD13  LEU  35          HD13      LEU  35  37.137  11.417  -2.972
  213   HD21  LEU  35          HD21      LEU  35  39.812  10.191  -0.921
  214   HD22  LEU  35          HD22      LEU  35  38.805   8.883  -0.298
  215   HD23  LEU  35          HD23      LEU  35  38.246  10.553  -0.194
  216    H    LYS  36           HN       LYS  36  35.689   6.702  -3.338
  217    HA   LYS  36           HA       LYS  36  38.005   5.874  -4.708
  218    HB2  LYS  36           HB2      LYS  36  35.358   4.534  -4.182
  219    HB3  LYS  36           HB1      LYS  36  36.665   3.726  -5.046
  220    HG2  LYS  36           HG2      LYS  36  37.001   4.977  -2.307
  221    HG3  LYS  36           HG1      LYS  36  36.624   3.272  -2.560
  222    HD2  LYS  36           HD2      LYS  36  38.674   3.033  -3.924
  223    HD3  LYS  36           HD1      LYS  36  39.054   4.731  -3.633
  224    HE2  LYS  36           HE2      LYS  36  39.194   4.318  -1.224
  225    HE3  LYS  36           HE1      LYS  36  38.739   2.631  -1.469
  226    HZ1  LYS  36           HZ1      LYS  36  41.270   3.565  -1.421
  227    HZ2  LYS  36           HZ2      LYS  36  40.957   3.490  -3.089
  228    HZ3  LYS  36           HZ3      LYS  36  40.789   2.100  -2.126
  229    H    HIS  37           HN       HIS  37  34.730   6.606  -5.854
  230    HA   HIS  37           HA       HIS  37  35.738   6.280  -8.618
  231    HB2  HIS  37           HB2      HIS  37  32.957   5.870  -7.508
  232    HB3  HIS  37           HB1      HIS  37  33.331   5.909  -9.233
  233    HD2  HIS  37           HD2      HIS  37  33.639   3.471  -6.210
  234    HE1  HIS  37           HE1      HIS  37  35.413   1.585  -9.545
  235    HE2  HIS  37           HE2      HIS  37  34.634   1.248  -7.152
  236    H    CYS  38           HN       CYS  38  33.182   8.038  -6.826
  237    HA   CYS  38           HA       CYS  38  33.335  10.203  -8.779
  238    HB2  CYS  38           HB2      CYS  38  31.253  10.854  -8.016
  239    HB3  CYS  38           HB1      CYS  38  31.188   9.116  -7.726
  Start of MODEL   11
    1    H1   ABA   1           HT1      ABU   1   8.510 -15.962  -8.177
    2    H2   ABA   1           HT2      ABU   1   9.910 -16.116  -9.127
    3    H3   ABA   1           HT3      ABU   1   8.746 -14.939  -9.510
    4    HA   ABA   1           HA       ABU   1   9.205 -13.992  -7.203
    5    HB2  ABA   1           HB2      ABU   1  11.950 -15.070  -7.486
    6    HG1  ABA   1           HG1      ABU   1  11.353 -17.158  -6.257
    7    HG3  ABA   1           HG3      ABU   1   9.647 -16.785  -6.500
    8    HG2  ABA   1           HG2      ABU   1  10.682 -17.125  -7.888
    9    H    DBU   2           HN       DHB   2  11.860 -14.759  -9.480
   10    HB   DBU   2           HB       DHB   2  13.429 -12.417 -12.077
   11    HG1  DBU   2           HG1      DHB   2  13.567 -15.256 -11.528
   12    HG2  DBU   2           HG2      DHB   2  13.535 -14.520 -13.131
   13    HG3  DBU   2           HG3      DHB   2  12.025 -14.979 -12.339
   14    HA   PRO   3           HA       PRO   3  12.587  -8.730 -10.095
   15    HB2  PRO   3           HB2      PRO   3   9.724  -8.540 -10.910
   16    HB3  PRO   3           HB1      PRO   3  11.097  -7.553 -11.412
   17    HG2  PRO   3           HG2      PRO   3  10.079  -9.337 -13.043
   18    HG3  PRO   3           HG1      PRO   3  11.840  -9.133 -12.923
   19    HD2  PRO   3           HD2      PRO   3  10.109 -11.265 -11.735
   20    HD3  PRO   3           HD1      PRO   3  11.715 -11.407 -12.465
   21    H    VAL   4           HN       VAL   4   9.590 -10.427  -9.210
   22    HA   VAL   4           HA       VAL   4   8.843  -8.734  -7.073
   23    HB   VAL   4           HB       VAL   4   8.222 -11.640  -7.638
   24   HG11  VAL   4          HG11      VAL   4   7.524  -9.852  -5.359
   25   HG12  VAL   4          HG12      VAL   4   7.688 -11.607  -5.401
   26   HG13  VAL   4          HG13      VAL   4   6.224 -10.843  -6.019
   27   HG21  VAL   4          HG21      VAL   4   6.476  -9.174  -7.865
   28   HG22  VAL   4          HG22      VAL   4   6.140 -10.789  -8.487
   29   HG23  VAL   4          HG23      VAL   4   7.415  -9.811  -9.215
   30    H    CYS   5           HN       CYS   5  10.697 -11.766  -7.151
   31    HA   CYS   5           HA       CYS   5  11.114 -11.940  -4.356
   32    HB2  CYS   5           HB2      CYS   5  12.455 -13.141  -6.762
   33    HB3  CYS   5           HB1      CYS   5  13.148 -13.363  -5.152
   34    H    ALA   6           HN       ALA   6  12.932 -10.405  -6.968
   35    HA   ALA   6           HA       ALA   6  15.244  -9.747  -5.492
   36    HB1  ALA   6           HB1      ALA   6  15.786  -9.207  -7.603
   37    HB2  ALA   6           HB2      ALA   6  14.911  -7.699  -7.348
   38    HB3  ALA   6           HB3      ALA   6  14.093  -9.080  -8.079
   39    H    VAL   7           HN       VAL   7  12.167  -8.049  -5.943
   40    HA   VAL   7           HA       VAL   7  12.902  -5.635  -4.690
   41    HB   VAL   7           HB       VAL   7  10.239  -7.010  -5.063
   42   HG11  VAL   7          HG11      VAL   7   9.640  -4.398  -4.625
   43   HG12  VAL   7          HG12      VAL   7  11.003  -4.600  -3.525
   44   HG13  VAL   7          HG13      VAL   7   9.584  -5.635  -3.369
   45   HG21  VAL   7          HG21      VAL   7  11.288  -6.244  -7.124
   46   HG22  VAL   7          HG22      VAL   7  11.634  -4.672  -6.403
   47   HG23  VAL   7          HG23      VAL   7   9.966  -5.147  -6.723
   48    H    ALA   8           HN       ALA   8  11.383  -8.593  -3.431
   49    HA   ALA   8           HA       ALA   8  11.061  -7.679  -0.771
   50    HB1  ALA   8           HB1      ALA   8   9.794  -9.569  -1.236
   51    HB2  ALA   8           HB2      ALA   8  11.140 -10.265  -0.331
   52    HB3  ALA   8           HB3      ALA   8  11.113 -10.368  -2.092
   53    H    ALA   9           HN       ALA   9  13.702  -9.328  -2.442
   54    HA   ALA   9           HA       ALA   9  15.283  -9.894  -0.167
   55    HB1  ALA   9           HB1      ALA   9  16.312 -11.002  -1.830
   56    HB2  ALA   9           HB2      ALA   9  17.070  -9.467  -2.254
   57    HB3  ALA   9           HB3      ALA   9  15.587  -9.972  -3.063
   58    H    DBU  10           HN       DHB  10  15.033  -7.051  -2.262
   59    HB   DBU  10           HB       DHB  10  17.327  -3.899  -1.789
   60    HG1  DBU  10           HG1      DHB  10  18.547  -5.603  -3.396
   61    HG2  DBU  10           HG2      DHB  10  17.403  -4.509  -4.176
   62    HG3  DBU  10           HG3      DHB  10  16.928  -6.167  -3.809
   63    H    ALA  11           HN       ALA  11  13.834  -5.575  -0.374
   64    HA   ALA  11           HA       ALA  11  14.068  -3.643   1.648
   65    HB1  ALA  11           HB1      ALA  11  12.126  -5.879   1.996
   66    HB2  ALA  11           HB2      ALA  11  11.974  -4.876   0.554
   67    HB3  ALA  11           HB3      ALA  11  11.880  -4.140   2.154
   68    H    ALA  12           HN       ALA  12  14.239  -7.194   1.826
   69    HA   ALA  12           HA       ALA  12  14.810  -7.182   4.652
   70    HB1  ALA  12           HB1      ALA  12  15.564  -9.603   3.204
   71    HB2  ALA  12           HB2      ALA  12  13.918  -9.080   2.843
   72    HB3  ALA  12           HB3      ALA  12  14.399  -9.391   4.510
   73    H    ALA  13           HN       ALA  13  16.636  -6.853   1.759
   74    HA   ALA  13           HA       ALA  13  19.130  -7.880   2.624
   75    HB1  ALA  13           HB1      ALA  13  18.957  -7.511   0.312
   76    HB2  ALA  13           HB2      ALA  13  20.006  -6.202   0.855
   77    HB3  ALA  13           HB3      ALA  13  18.302  -5.888   0.527
   78    H    ALA  14           HN       ALA  14  17.592  -4.716   2.931
   79    HA   ALA  14           HA       ALA  14  19.827  -3.310   3.929
   80    HB2  ALA  14           HB2      ALA  14  17.282  -2.614   3.247
   81    HB3  ALA  14           HB3      ALA  14  17.200  -2.524   5.007
   82    H    DHA  15           HN       DHA  15  17.405  -5.352   5.504
   83    HB1  DHA  15           HB1      DHA  15  16.063  -6.170   7.745
   84    HB2  DHA  15           HB2      DHA  15  17.195  -6.391   9.199
   85    H    ALA  16           HN       ALA  16  20.239  -6.498   6.610
   86    HA   ALA  16           HA       ALA  16  21.827  -5.749   8.946
   87    HB1  ALA  16           HB1      ALA  16  23.522  -6.970   7.113
   88    HB2  ALA  16           HB2      ALA  16  21.977  -7.784   6.869
   89    HB3  ALA  16           HB3      ALA  16  22.716  -7.756   8.471
   90    H    ALA  17           HN       ALA  17  21.956  -5.303   5.399
   91    HA   ALA  17           HA       ALA  17  24.208  -3.617   5.353
   92    HB1  ALA  17           HB1      ALA  17  23.184  -2.827   3.142
   93    HB2  ALA  17           HB2      ALA  17  21.872  -3.956   3.478
   94    HB3  ALA  17           HB3      ALA  17  23.523  -4.550   3.291
   95    H    CYS  18           HN       CYS  18  20.744  -2.786   5.366
   96    HA   CYS  18           HA       CYS  18  21.080   0.013   5.397
   97    HB2  CYS  18           HB2      CYS  18  18.833  -1.765   6.364
   98    HB3  CYS  18           HB1      CYS  18  18.732  -0.007   6.327
   99    H    GLY  19           HN       GLY  19  20.806  -2.382   7.989
  100    HA2  GLY  19           HA2      GLY  19  20.748  -0.525  10.142
  101    HA3  GLY  19           HA1      GLY  19  21.164  -2.232  10.264
  102    H    TRP  20           HN       TRP  20  23.359  -2.252   8.488
  103    HA   TRP  20           HA       TRP  20  25.469  -1.502  10.203
  104    HB2  TRP  20           HB2      TRP  20  25.354  -2.335   7.312
  105    HB3  TRP  20           HB1      TRP  20  26.876  -1.900   8.087
  106    HD1  TRP  20           HD1      TRP  20  24.053  -3.710   9.920
  107    HE1  TRP  20           HE1      TRP  20  24.902  -6.056  10.609
  108    HE3  TRP  20           HE3      TRP  20  28.589  -3.802   7.550
  109    HZ2  TRP  20           HZ2      TRP  20  27.131  -7.720  10.233
  110    HZ3  TRP  20           HZ3      TRP  20  30.049  -5.802   7.745
  111    HH2  TRP  20           HH2      TRP  20  29.303  -7.751   9.091
  112    H    VAL  21           HN       VAL  21  23.992   0.093   7.437
  113    HA   VAL  21           HA       VAL  21  25.701   2.010   6.664
  114    HB   VAL  21           HB       VAL  21  23.879   3.449   6.202
  115   HG11  VAL  21          HG11      VAL  21  22.276   1.951   5.181
  116   HG12  VAL  21          HG12      VAL  21  22.707   0.657   6.298
  117   HG13  VAL  21          HG13      VAL  21  23.864   1.192   5.079
  118   HG21  VAL  21          HG21      VAL  21  21.610   2.857   7.369
  119   HG22  VAL  21          HG22      VAL  21  22.804   3.809   8.253
  120   HG23  VAL  21          HG23      VAL  21  22.638   2.083   8.575
  121    H    GLY  22           HN       GLY  22  24.377   1.690   9.851
  122    HA2  GLY  22           HA2      GLY  22  24.734   4.289  10.840
  123    HA3  GLY  22           HA1      GLY  22  24.797   2.821  11.811
  124    H    GLY  23           HN       GLY  23  27.030   2.370   9.463
  125    HA2  GLY  23           HA2      GLY  23  29.195   3.964  10.550
  126    HA3  GLY  23           HA1      GLY  23  29.288   2.248  10.940
  127    H    GLY  24           HN       GLY  24  28.107   1.320   8.484
  128    HA2  GLY  24           HA2      GLY  24  30.423   1.098   6.875
  129    HA3  GLY  24           HA1      GLY  24  28.800   0.594   6.414
  130    H    ILE  25           HN       ILE  25  27.561   3.165   6.677
  131    HA   ILE  25           HA       ILE  25  28.064   4.219   4.095
  132    HB   ILE  25           HB       ILE  25  25.961   4.348   5.714
  133   HG12  ILE  25          HG12      ILE  25  26.173   5.068   3.299
  134   HG13  ILE  25          HG11      ILE  25  25.063   6.052   4.258
  135   HG21  ILE  25          HG21      ILE  25  25.763   6.669   6.620
  136   HG22  ILE  25          HG22      ILE  25  27.459   6.936   6.218
  137   HG23  ILE  25          HG23      ILE  25  27.019   5.727   7.424
  138   HD11  ILE  25          HD11      ILE  25  27.352   6.919   2.805
  139   HD12  ILE  25          HD12      ILE  25  27.702   7.140   4.520
  140   HD13  ILE  25          HD13      ILE  25  26.274   7.890   3.807
  141    H    PHE  26           HN       PHE  26  28.951   5.303   7.343
  142    HA   PHE  26           HA       PHE  26  30.142   7.755   6.626
  143    HB2  PHE  26           HB2      PHE  26  29.594   7.181   8.947
  144    HB3  PHE  26           HB1      PHE  26  30.810   5.903   8.930
  145    HD1  PHE  26           HD1      PHE  26  30.335   9.585   8.568
  146    HD2  PHE  26           HD2      PHE  26  33.102   6.384   9.314
  147    HE1  PHE  26           HE1      PHE  26  32.085  11.237   9.168
  148    HE2  PHE  26           HE2      PHE  26  34.850   8.036   9.915
  149    HZ   PHE  26           HZ       PHE  26  34.343  10.462   9.841
  150    H    THR  27           HN       THR  27  31.521   4.495   6.966
  151    HA   THR  27           HA       THR  27  34.206   5.185   6.474
  152    HB   THR  27           HB       THR  27  32.734   2.609   5.860
  153    HG1  THR  27           HG1      THR  27  32.815   2.392   7.926
  154   HG21  THR  27          HG21      THR  27  35.702   3.083   6.233
  155   HG22  THR  27          HG22      THR  27  34.924   2.915   4.659
  156   HG23  THR  27          HG23      THR  27  34.915   1.566   5.795
  157    H    GLY  28           HN       GLY  28  31.627   4.138   4.251
  158    HA2  GLY  28           HA2      GLY  28  33.226   4.227   1.904
  159    HA3  GLY  28           HA1      GLY  28  31.465   4.260   1.953
  160    H    VAL  29           HN       VAL  29  31.075   6.581   3.462
  161    HA   VAL  29           HA       VAL  29  31.264   8.582   1.480
  162    HB   VAL  29           HB       VAL  29  30.555   8.610   4.408
  163   HG11  VAL  29          HG11      VAL  29  31.468  10.816   2.840
  164   HG12  VAL  29          HG12      VAL  29  30.812  10.836   4.478
  165   HG13  VAL  29          HG13      VAL  29  29.733  11.003   3.091
  166   HG21  VAL  29          HG21      VAL  29  28.881   9.308   1.990
  167   HG22  VAL  29          HG22      VAL  29  28.330   8.863   3.605
  168   HG23  VAL  29          HG23      VAL  29  29.051   7.645   2.552
  169    H    DBU  30           HN       DHB  30  33.102   8.014   4.482
  170    HB   DBU  30           HB       DHB  30  36.062  10.458   5.432
  171    HG1  DBU  30           HG1      DHB  30  34.505  11.382   6.923
  172    HG2  DBU  30           HG2      DHB  30  33.513   9.934   6.749
  173    HG3  DBU  30           HG3      DHB  30  33.289  11.295   5.648
  174    H    VAL  31           HN       VAL  31  35.060   6.857   3.467
  175    HA   VAL  31           HA       VAL  31  37.765   6.936   2.669
  176    HB   VAL  31           HB       VAL  31  35.483   5.054   2.101
  177   HG11  VAL  31          HG11      VAL  31  37.579   3.613   1.313
  178   HG12  VAL  31          HG12      VAL  31  38.216   5.205   0.900
  179   HG13  VAL  31          HG13      VAL  31  36.707   4.646   0.181
  180   HG21  VAL  31          HG21      VAL  31  36.586   3.645   3.658
  181   HG22  VAL  31          HG22      VAL  31  36.710   5.255   4.368
  182   HG23  VAL  31          HG23      VAL  31  38.095   4.552   3.533
  183    H    VAL  32           HN       VAL  32  34.737   7.203   0.821
  184    HA   VAL  32           HA       VAL  32  35.920   7.369  -1.731
  185    HB   VAL  32           HB       VAL  32  33.274   8.246  -0.603
  186   HG11  VAL  32          HG11      VAL  32  32.989   9.632  -2.351
  187   HG12  VAL  32          HG12      VAL  32  33.178   8.248  -3.426
  188   HG13  VAL  32          HG13      VAL  32  34.581   9.218  -2.982
  189   HG21  VAL  32          HG21      VAL  32  32.537   6.460  -2.242
  190   HG22  VAL  32          HG22      VAL  32  33.532   5.868  -0.912
  191   HG23  VAL  32          HG23      VAL  32  34.244   6.102  -2.510
  192    H    VAL  33           HN       VAL  33  34.930   9.885   0.573
  193    HA   VAL  33           HA       VAL  33  35.589  12.089  -1.060
  194    HB   VAL  33           HB       VAL  33  35.636  13.355   1.076
  195   HG11  VAL  33          HG11      VAL  33  33.479  11.736   0.026
  196   HG12  VAL  33          HG12      VAL  33  33.412  13.364   0.701
  197   HG13  VAL  33          HG13      VAL  33  33.286  11.963   1.765
  198   HG21  VAL  33          HG21      VAL  33  35.223  10.621   2.320
  199   HG22  VAL  33          HG22      VAL  33  35.218  12.162   3.178
  200   HG23  VAL  33          HG23      VAL  33  36.704  11.570   2.437
  201    H    DAL  34           HN       DAL  34  37.441  10.268   1.348
  202    HA   DAL  34           HA       DAL  34  39.706  10.089   1.680
  203    HB1  DAL  34           HB2      DAL  34  39.984  12.918   0.824
  204    HB2  DAL  34           HB3      DAL  34  39.162  12.531   2.322
  205    H    LEU  35           HN       LEU  35  39.061   8.959  -0.604
  206    HA   LEU  35           HA       LEU  35  41.392   9.032  -2.153
  207    HB2  LEU  35           HB2      LEU  35  39.894   7.077  -2.013
  208    HB3  LEU  35           HB1      LEU  35  38.640   7.975  -2.868
  209    HG   LEU  35           HG       LEU  35  40.094   8.192  -4.824
  210   HD11  LEU  35          HD11      LEU  35  42.322   8.100  -4.487
  211   HD12  LEU  35          HD12      LEU  35  42.169   6.363  -4.210
  212   HD13  LEU  35          HD13      LEU  35  42.071   7.486  -2.851
  213   HD21  LEU  35          HD21      LEU  35  38.836   6.230  -5.045
  214   HD22  LEU  35          HD22      LEU  35  39.602   5.465  -3.652
  215   HD23  LEU  35          HD23      LEU  35  40.479   5.603  -5.176
  216    H    LYS  36           HN       LYS  36  38.195  10.481  -2.644
  217    HA   LYS  36           HA       LYS  36  38.666  11.509  -5.224
  218    HB2  LYS  36           HB2      LYS  36  36.808  12.360  -3.022
  219    HB3  LYS  36           HB1      LYS  36  36.850  13.157  -4.596
  220    HG2  LYS  36           HG2      LYS  36  36.451  10.971  -5.696
  221    HG3  LYS  36           HG1      LYS  36  36.352  10.209  -4.106
  222    HD2  LYS  36           HD2      LYS  36  34.449  11.596  -3.514
  223    HD3  LYS  36           HD1      LYS  36  34.582  12.470  -5.039
  224    HE2  LYS  36           HE2      LYS  36  34.094  10.428  -6.291
  225    HE3  LYS  36           HE1      LYS  36  34.038   9.497  -4.797
  226    HZ1  LYS  36           HZ1      LYS  36  32.261  11.799  -5.392
  227    HZ2  LYS  36           HZ2      LYS  36  32.151  10.738  -4.069
  228    HZ3  LYS  36           HZ3      LYS  36  31.829  10.179  -5.641
  229    H    HIS  37           HN       HIS  37  39.280  12.827  -1.996
  230    HA   HIS  37           HA       HIS  37  40.768  15.035  -3.293
  231    HB2  HIS  37           HB2      HIS  37  39.398  15.087  -0.595
  232    HB3  HIS  37           HB1      HIS  37  40.222  16.435  -1.385
  233    HD2  HIS  37           HD2      HIS  37  36.850  14.435  -1.705
  234    HE1  HIS  37           HE1      HIS  37  36.694  17.710  -4.364
  235    HE2  HIS  37           HE2      HIS  37  35.354  15.809  -3.346
  236    H    CYS  38           HN       CYS  38  40.674  14.114   0.104
  237    HA   CYS  38           HA       CYS  38  43.461  14.305   0.456
  238    HB2  CYS  38           HB2      CYS  38  43.053  13.760   2.669
  239    HB3  CYS  38           HB1      CYS  38  41.463  14.344   2.174
  Start of MODEL   12
    1    H1   ABA   1           HT1      ABU   1   6.082 -16.852  -4.581
    2    H2   ABA   1           HT2      ABU   1   6.901 -17.151  -6.039
    3    H3   ABA   1           HT3      ABU   1   5.310 -16.558  -6.062
    4    HA   ABA   1           HA       ABU   1   5.940 -14.449  -5.795
    5    HB2  ABA   1           HB2      ABU   1   6.982 -15.593  -3.479
    6    HG1  ABA   1           HG1      ABU   1   5.730 -13.329  -4.193
    7    HG3  ABA   1           HG3      ABU   1   6.512 -13.520  -2.625
    8    HG2  ABA   1           HG2      ABU   1   7.346 -12.675  -3.929
    9    H    DBU   2           HN       DHB   2   8.551 -16.821  -6.108
   10    HB   DBU   2           HB       DHB   2  11.062 -16.940  -9.026
   11    HG1  DBU   2           HG1      DHB   2   9.029 -18.607  -9.325
   12    HG2  DBU   2           HG2      DHB   2   8.883 -18.553  -7.567
   13    HG3  DBU   2           HG3      DHB   2  10.335 -19.226  -8.312
   14    HA   PRO   3           HA       PRO   3  12.187 -12.779  -8.680
   15    HB2  PRO   3           HB2      PRO   3   9.981 -11.776 -10.426
   16    HB3  PRO   3           HB1      PRO   3  11.720 -11.836 -10.740
   17    HG2  PRO   3           HG2      PRO   3  10.137 -13.543 -11.921
   18    HG3  PRO   3           HG1      PRO   3  11.674 -14.105 -11.229
   19    HD2  PRO   3           HD2      PRO   3   8.909 -14.337 -10.087
   20    HD3  PRO   3           HD1      PRO   3  10.192 -15.559 -10.160
   21    H    VAL   4           HN       VAL   4   8.706 -12.546  -8.138
   22    HA   VAL   4           HA       VAL   4   8.582  -9.877  -7.264
   23    HB   VAL   4           HB       VAL   4   6.875 -12.276  -6.588
   24   HG11  VAL   4          HG11      VAL   4   5.260 -10.188  -6.095
   25   HG12  VAL   4          HG12      VAL   4   6.798  -9.443  -5.656
   26   HG13  VAL   4          HG13      VAL   4   6.263 -10.912  -4.837
   27   HG21  VAL   4          HG21      VAL   4   5.622 -11.706  -8.419
   28   HG22  VAL   4          HG22      VAL   4   7.142 -10.994  -8.962
   29   HG23  VAL   4          HG23      VAL   4   5.912  -9.979  -8.209
   30    H    CYS   5           HN       CYS   5   8.976 -12.890  -5.382
   31    HA   CYS   5           HA       CYS   5   9.263 -11.423  -2.899
   32    HB2  CYS   5           HB2      CYS   5  10.209 -13.890  -2.294
   33    HB3  CYS   5           HB1      CYS   5   8.500 -13.476  -2.298
   34    H    ALA   6           HN       ALA   6  11.441 -13.632  -4.623
   35    HA   ALA   6           HA       ALA   6  13.781 -13.259  -3.316
   36    HB1  ALA   6           HB1      ALA   6  13.179 -14.479  -5.614
   37    HB2  ALA   6           HB2      ALA   6  14.844 -14.108  -5.163
   38    HB3  ALA   6           HB3      ALA   6  13.976 -13.054  -6.280
   39    H    VAL   7           HN       VAL   7  12.538 -11.095  -5.860
   40    HA   VAL   7           HA       VAL   7  14.666  -9.247  -5.748
   41    HB   VAL   7           HB       VAL   7  11.799  -9.006  -6.659
   42   HG11  VAL   7          HG11      VAL   7  14.029  -6.996  -6.555
   43   HG12  VAL   7          HG12      VAL   7  12.331  -6.787  -6.134
   44   HG13  VAL   7          HG13      VAL   7  12.811  -6.914  -7.826
   45   HG21  VAL   7          HG21      VAL   7  14.484  -9.357  -8.013
   46   HG22  VAL   7          HG22      VAL   7  13.040  -8.857  -8.893
   47   HG23  VAL   7          HG23      VAL   7  13.086 -10.429  -8.094
   48    H    ALA   8           HN       ALA   8  11.492  -9.328  -4.139
   49    HA   ALA   8           HA       ALA   8  11.733  -6.849  -2.806
   50    HB1  ALA   8           HB1      ALA   8   9.591  -8.028  -3.029
   51    HB2  ALA   8           HB2      ALA   8   9.951  -7.703  -1.333
   52    HB3  ALA   8           HB3      ALA   8  10.188  -9.322  -1.991
   53    H    ALA   9           HN       ALA   9  12.739 -10.124  -1.936
   54    HA   ALA   9           HA       ALA   9  13.457  -9.589   0.746
   55    HB1  ALA   9           HB1      ALA   9  13.578 -11.793  -1.048
   56    HB2  ALA   9           HB2      ALA   9  13.797 -11.800   0.702
   57    HB3  ALA   9           HB3      ALA   9  15.187 -11.576  -0.361
   58    H    DBU  10           HN       DHB  10  15.225  -9.304  -2.310
   59    HB   DBU  10           HB       DHB  10  18.983  -8.195  -2.470
   60    HG1  DBU  10           HG1      DHB  10  19.016 -10.238  -3.703
   61    HG2  DBU  10           HG2      DHB  10  17.317 -10.550  -3.349
   62    HG3  DBU  10           HG3      DHB  10  18.549 -10.906  -2.139
   63    H    ALA  11           HN       ALA  11  15.512  -6.450  -2.580
   64    HA   ALA  11           HA       ALA  11  16.889  -4.229  -1.507
   65    HB1  ALA  11           HB1      ALA  11  14.090  -3.660  -1.816
   66    HB2  ALA  11           HB2      ALA  11  14.635  -4.667  -3.159
   67    HB3  ALA  11           HB3      ALA  11  15.441  -3.135  -2.820
   68    H    ALA  12           HN       ALA  12  14.201  -6.178  -0.303
   69    HA   ALA  12           HA       ALA  12  13.536  -4.550   1.913
   70    HB1  ALA  12           HB1      ALA  12  12.376  -6.520   2.770
   71    HB2  ALA  12           HB2      ALA  12  13.232  -7.548   1.619
   72    HB3  ALA  12           HB3      ALA  12  12.075  -6.349   1.040
   73    H    ALA  13           HN       ALA  13  15.871  -7.168   1.479
   74    HA   ALA  13           HA       ALA  13  16.577  -7.521   4.185
   75    HB1  ALA  13           HB1      ALA  13  18.646  -8.527   3.302
   76    HB2  ALA  13           HB2      ALA  13  18.276  -7.879   1.703
   77    HB3  ALA  13           HB3      ALA  13  17.230  -9.103   2.423
   78    H    ALA  14           HN       ALA  14  17.889  -5.378   1.675
   79    HA   ALA  14           HA       ALA  14  19.970  -4.288   3.261
   80    HB2  ALA  14           HB2      ALA  14  19.318  -4.102   0.639
   81    HB3  ALA  14           HB3      ALA  14  18.749  -2.535   1.216
   82    H    DHA  15           HN       DHA  15  16.573  -3.413   2.803
   83    HB1  DHA  15           HB1      DHA  15  14.613  -1.459   2.920
   84    HB2  DHA  15           HB2      DHA  15  14.613  -0.591   4.558
   85    H    ALA  16           HN       ALA  16  17.070  -3.660   5.847
   86    HA   ALA  16           HA       ALA  16  17.631  -1.777   8.009
   87    HB1  ALA  16           HB1      ALA  16  17.946  -4.783   8.036
   88    HB2  ALA  16           HB2      ALA  16  16.422  -3.965   8.383
   89    HB3  ALA  16           HB3      ALA  16  17.822  -3.700   9.423
   90    H    ALA  17           HN       ALA  17  19.384  -4.445   6.382
   91    HA   ALA  17           HA       ALA  17  21.903  -3.856   7.503
   92    HB1  ALA  17           HB1      ALA  17  22.652  -5.069   5.259
   93    HB2  ALA  17           HB2      ALA  17  20.932  -5.451   5.179
   94    HB3  ALA  17           HB3      ALA  17  21.884  -5.957   6.574
   95    H    CYS  18           HN       CYS  18  20.507  -2.940   4.360
   96    HA   CYS  18           HA       CYS  18  22.734  -1.491   3.415
   97    HB2  CYS  18           HB2      CYS  18  19.783  -1.273   2.790
   98    HB3  CYS  18           HB1      CYS  18  21.040  -0.404   1.910
   99    H    GLY  19           HN       GLY  19  19.888  -0.531   5.284
  100    HA2  GLY  19           HA2      GLY  19  20.365   2.255   5.285
  101    HA3  GLY  19           HA1      GLY  19  19.400   1.381   6.470
  102    H    TRP  20           HN       TRP  20  21.414  -0.345   7.454
  103    HA   TRP  20           HA       TRP  20  22.670   1.381   9.355
  104    HB2  TRP  20           HB2      TRP  20  23.040  -1.569   8.787
  105    HB3  TRP  20           HB1      TRP  20  23.738  -0.719  10.166
  106    HD1  TRP  20           HD1      TRP  20  20.299   0.323   9.016
  107    HE1  TRP  20           HE1      TRP  20  18.560  -0.416  10.781
  108    HE3  TRP  20           HE3      TRP  20  23.211  -2.619  12.027
  109    HZ2  TRP  20           HZ2      TRP  20  18.401  -1.991  13.096
  110    HZ3  TRP  20           HZ3      TRP  20  22.213  -3.725  14.015
  111    HH2  TRP  20           HH2      TRP  20  19.805  -3.399  14.532
  112    H    VAL  21           HN       VAL  21  24.291  -1.086   7.385
  113    HA   VAL  21           HA       VAL  21  26.620  -1.076   6.928
  114    HB   VAL  21           HB       VAL  21  25.875   1.083   5.024
  115   HG11  VAL  21          HG11      VAL  21  27.964  -0.075   4.694
  116   HG12  VAL  21          HG12      VAL  21  26.847  -0.644   3.453
  117   HG13  VAL  21          HG13      VAL  21  27.178  -1.645   4.867
  118   HG21  VAL  21          HG21      VAL  21  24.367  -0.344   3.791
  119   HG22  VAL  21          HG22      VAL  21  23.780  -0.273   5.452
  120   HG23  VAL  21          HG23      VAL  21  24.664  -1.691   4.891
  121    H    GLY  22           HN       GLY  22  26.441   0.460   9.187
  122    HA2  GLY  22           HA2      GLY  22  27.495   3.108   8.770
  123    HA3  GLY  22           HA1      GLY  22  27.324   2.279  10.315
  124    H    GLY  23           HN       GLY  23  28.860   0.159   8.331
  125    HA2  GLY  23           HA2      GLY  23  31.479   0.854   9.475
  126    HA3  GLY  23           HA1      GLY  23  31.018  -0.716   8.825
  127    H    GLY  24           HN       GLY  24  30.456  -0.657   6.406
  128    HA2  GLY  24           HA2      GLY  24  32.742   0.182   4.968
  129    HA3  GLY  24           HA1      GLY  24  31.245  -0.411   4.256
  130    H    ILE  25           HN       ILE  25  29.513   1.580   5.340
  131    HA   ILE  25           HA       ILE  25  29.786   3.603   3.376
  132    HB   ILE  25           HB       ILE  25  27.699   2.711   4.741
  133   HG12  ILE  25          HG12      ILE  25  27.655   4.278   2.822
  134   HG13  ILE  25          HG11      ILE  25  26.502   4.752   4.072
  135   HG21  ILE  25          HG21      ILE  25  28.531   5.182   6.291
  136   HG22  ILE  25          HG22      ILE  25  28.570   3.534   6.918
  137   HG23  ILE  25          HG23      ILE  25  27.029   4.282   6.500
  138   HD11  ILE  25          HD11      ILE  25  29.063   6.060   3.261
  139   HD12  ILE  25          HD12      ILE  25  28.596   6.147   4.959
  140   HD13  ILE  25          HD13      ILE  25  27.525   6.792   3.715
  141    H    PHE  26           HN       PHE  26  30.445   3.514   6.849
  142    HA   PHE  26           HA       PHE  26  31.080   6.233   7.199
  143    HB2  PHE  26           HB2      PHE  26  30.712   4.690   9.080
  144    HB3  PHE  26           HB1      PHE  26  32.191   3.825   8.662
  145    HD1  PHE  26           HD1      PHE  26  30.916   7.227   9.556
  146    HD2  PHE  26           HD2      PHE  26  34.266   4.539   9.508
  147    HE1  PHE  26           HE1      PHE  26  32.244   8.859  10.869
  148    HE2  PHE  26           HE2      PHE  26  35.594   6.171  10.820
  149    HZ   PHE  26           HZ       PHE  26  34.583   8.331  11.501
  150    H    THR  27           HN       THR  27  33.144   3.446   6.404
  151    HA   THR  27           HA       THR  27  35.573   4.913   6.295
  152    HB   THR  27           HB       THR  27  36.417   2.925   5.060
  153    HG1  THR  27           HG1      THR  27  34.607   1.207   5.169
  154   HG21  THR  27          HG21      THR  27  35.172   2.975   7.688
  155   HG22  THR  27          HG22      THR  27  36.698   2.246   7.190
  156   HG23  THR  27          HG23      THR  27  35.191   1.347   7.009
  157    H    GLY  28           HN       GLY  28  33.043   4.226   3.956
  158    HA2  GLY  28           HA2      GLY  28  34.452   5.005   1.625
  159    HA3  GLY  28           HA1      GLY  28  32.701   4.963   1.800
  160    H    VAL  29           HN       VAL  29  32.299   6.819   3.815
  161    HA   VAL  29           HA       VAL  29  32.385   9.255   2.392
  162    HB   VAL  29           HB       VAL  29  30.910   8.393   4.439
  163   HG11  VAL  29          HG11      VAL  29  32.990  10.172   5.746
  164   HG12  VAL  29          HG12      VAL  29  32.834   8.436   6.015
  165   HG13  VAL  29          HG13      VAL  29  31.540   9.524   6.514
  166   HG21  VAL  29          HG21      VAL  29  30.119  10.281   3.355
  167   HG22  VAL  29          HG22      VAL  29  31.654  11.137   3.505
  168   HG23  VAL  29          HG23      VAL  29  30.587  10.985   4.902
  169    H    DBU  30           HN       DHB  30  34.361   7.997   5.067
  170    HB   DBU  30           HB       DHB  30  37.307  10.242   6.493
  171    HG1  DBU  30           HG1      DHB  30  34.691   9.427   7.608
  172    HG2  DBU  30           HG2      DHB  30  34.619  11.078   6.991
  173    HG3  DBU  30           HG3      DHB  30  35.783  10.655   8.247
  174    H    VAL  31           HN       VAL  31  36.179   7.225   3.666
  175    HA   VAL  31           HA       VAL  31  38.896   7.450   2.897
  176    HB   VAL  31           HB       VAL  31  36.568   5.807   1.928
  177   HG11  VAL  31          HG11      VAL  31  38.075   6.370   0.007
  178   HG12  VAL  31          HG12      VAL  31  38.085   4.655   0.413
  179   HG13  VAL  31          HG13      VAL  31  39.424   5.687   0.914
  180   HG21  VAL  31          HG21      VAL  31  38.030   5.479   4.115
  181   HG22  VAL  31          HG22      VAL  31  39.188   4.790   2.978
  182   HG23  VAL  31          HG23      VAL  31  37.577   4.089   3.130
  183    H    VAL  32           HN       VAL  32  35.855   8.150   1.160
  184    HA   VAL  32           HA       VAL  32  37.095   9.033  -1.235
  185    HB   VAL  32           HB       VAL  32  34.927   9.851  -1.844
  186   HG11  VAL  32          HG11      VAL  32  34.572   7.605  -1.999
  187   HG12  VAL  32          HG12      VAL  32  33.521   7.869  -0.606
  188   HG13  VAL  32          HG13      VAL  32  35.174   7.304  -0.368
  189   HG21  VAL  32          HG21      VAL  32  33.126   9.919  -0.021
  190   HG22  VAL  32          HG22      VAL  32  34.343  11.194   0.039
  191   HG23  VAL  32          HG23      VAL  32  34.451   9.822   1.139
  192    H    VAL  33           HN       VAL  33  35.800  10.820   1.565
  193    HA   VAL  33           HA       VAL  33  36.211  13.404   0.714
  194    HB   VAL  33           HB       VAL  33  35.207  13.228   2.820
  195   HG11  VAL  33          HG11      VAL  33  35.749  11.714   4.450
  196   HG12  VAL  33          HG12      VAL  33  37.482  11.919   4.203
  197   HG13  VAL  33          HG13      VAL  33  36.548  10.903   3.108
  198   HG21  VAL  33          HG21      VAL  33  37.122  14.959   2.569
  199   HG22  VAL  33          HG22      VAL  33  38.024  13.889   3.643
  200   HG23  VAL  33          HG23      VAL  33  36.521  14.628   4.196
  201    H    DAL  34           HN       DAL  34  38.540  11.731   2.839
  202    HA   DAL  34           HA       DAL  34  40.863  11.614   2.623
  203    HB1  DAL  34           HB2      DAL  34  40.397  14.558   2.372
  204    HB2  DAL  34           HB3      DAL  34  40.434  13.671   3.890
  205    H    LEU  35           HN       LEU  35  39.719  10.932   0.274
  206    HA   LEU  35           HA       LEU  35  41.749  11.389  -1.621
  207    HB2  LEU  35           HB2      LEU  35  39.030  10.152  -1.620
  208    HB3  LEU  35           HB1      LEU  35  39.770  10.514  -3.176
  209    HG   LEU  35           HG       LEU  35  40.364   8.247  -2.536
  210   HD11  LEU  35          HD11      LEU  35  42.815   9.882  -1.913
  211   HD12  LEU  35          HD12      LEU  35  42.088   9.933  -3.518
  212   HD13  LEU  35          HD13      LEU  35  42.689   8.406  -2.870
  213   HD21  LEU  35          HD21      LEU  35  40.454   7.791  -0.322
  214   HD22  LEU  35          HD22      LEU  35  40.663   9.490   0.090
  215   HD23  LEU  35          HD23      LEU  35  42.063   8.510  -0.335
  216    H    LYS  36           HN       LYS  36  38.527  12.790  -1.182
  217    HA   LYS  36           HA       LYS  36  38.552  14.412  -3.501
  218    HB2  LYS  36           HB2      LYS  36  37.051  14.732  -0.894
  219    HB3  LYS  36           HB1      LYS  36  36.738  15.669  -2.355
  220    HG2  LYS  36           HG2      LYS  36  36.587  12.644  -2.183
  221    HG3  LYS  36           HG1      LYS  36  35.196  13.726  -2.131
  222    HD2  LYS  36           HD2      LYS  36  35.781  14.597  -4.361
  223    HD3  LYS  36           HD1      LYS  36  37.175  13.517  -4.418
  224    HE2  LYS  36           HE2      LYS  36  35.683  11.566  -4.250
  225    HE3  LYS  36           HE1      LYS  36  34.283  12.636  -4.173
  226    HZ1  LYS  36           HZ1      LYS  36  36.087  12.107  -6.442
  227    HZ2  LYS  36           HZ2      LYS  36  35.218  13.565  -6.364
  228    HZ3  LYS  36           HZ3      LYS  36  34.392  12.080  -6.396
  229    H    HIS  37           HN       HIS  37  39.464  15.051  -0.107
  230    HA   HIS  37           HA       HIS  37  41.582  16.723  -0.591
  231    HB2  HIS  37           HB2      HIS  37  40.193  18.959  -0.055
  232    HB3  HIS  37           HB1      HIS  37  40.595  18.446  -1.696
  233    HD2  HIS  37           HD2      HIS  37  37.725  16.531   0.160
  234    HE1  HIS  37           HE1      HIS  37  35.947  19.003  -2.764
  235    HE2  HIS  37           HE2      HIS  37  35.512  17.157  -1.077
  236    H    CYS  38           HN       CYS  38  42.083  15.638   1.433
  237    HA   CYS  38           HA       CYS  38  40.649  15.925   3.811
  238    HB2  CYS  38           HB2      CYS  38  43.659  15.863   3.654
  239    HB3  CYS  38           HB1      CYS  38  42.612  15.181   4.902
  Start of MODEL   13
    1    H1   ABA   1           HT1      ABU   1  15.271 -12.128 -11.589
    2    H2   ABA   1           HT2      ABU   1  13.718 -11.439 -11.587
    3    H3   ABA   1           HT3      ABU   1  14.047 -12.804 -10.630
    4    HA   ABA   1           HA       ABU   1  14.105 -11.115  -9.082
    5    HB2  ABA   1           HB2      ABU   1  16.965 -10.778  -9.741
    6    HG1  ABA   1           HG1      ABU   1  16.876 -12.887 -10.792
    7    HG3  ABA   1           HG3      ABU   1  17.288 -13.289  -9.124
    8    HG2  ABA   1           HG2      ABU   1  15.630 -13.482  -9.695
    9    H    DBU   2           HN       DHB   2  16.222 -10.063 -11.778
   10    HB   DBU   2           HB       DHB   2  16.039  -6.619 -13.512
   11    HG1  DBU   2           HG1      DHB   2  15.493  -9.553 -14.141
   12    HG2  DBU   2           HG2      DHB   2  16.992  -8.825 -14.716
   13    HG3  DBU   2           HG3      DHB   2  15.439  -8.195 -15.266
   14    HA   PRO   3           HA       PRO   3  15.866  -4.382  -9.874
   15    HB2  PRO   3           HB2      PRO   3  13.245  -3.536  -9.909
   16    HB3  PRO   3           HB1      PRO   3  14.434  -3.115 -11.135
   17    HG2  PRO   3           HG2      PRO   3  12.316  -5.185 -11.158
   18    HG3  PRO   3           HG1      PRO   3  12.843  -4.083 -12.446
   19    HD2  PRO   3           HD2      PRO   3  13.617  -6.627 -12.391
   20    HD3  PRO   3           HD1      PRO   3  14.699  -5.352 -12.961
   21    H    VAL   4           HN       VAL   4  13.368  -6.836  -9.531
   22    HA   VAL   4           HA       VAL   4  12.535  -6.219  -6.899
   23    HB   VAL   4           HB       VAL   4  12.535  -8.818  -8.445
   24   HG11  VAL   4          HG11      VAL   4  12.540  -9.066  -5.909
   25   HG12  VAL   4          HG12      VAL   4  11.137  -9.744  -6.733
   26   HG13  VAL   4          HG13      VAL   4  11.010  -8.191  -5.907
   27   HG21  VAL   4          HG21      VAL   4   9.947  -7.790  -7.873
   28   HG22  VAL   4          HG22      VAL   4  10.739  -7.895  -9.446
   29   HG23  VAL   4          HG23      VAL   4  10.914  -6.439  -8.465
   30    H    CYS   5           HN       CYS   5  15.019  -8.431  -8.151
   31    HA   CYS   5           HA       CYS   5  15.832  -9.454  -5.642
   32    HB2  CYS   5           HB2      CYS   5  17.109  -9.295  -8.358
   33    HB3  CYS   5           HB1      CYS   5  18.024  -9.895  -6.971
   34    H    ALA   6           HN       ALA   6  16.978  -6.718  -7.592
   35    HA   ALA   6           HA       ALA   6  19.161  -6.019  -5.931
   36    HB1  ALA   6           HB1      ALA   6  19.130  -3.885  -7.105
   37    HB2  ALA   6           HB2      ALA   6  17.502  -4.208  -7.701
   38    HB3  ALA   6           HB3      ALA   6  18.856  -5.193  -8.255
   39    H    VAL   7           HN       VAL   7  15.756  -5.044  -5.944
   40    HA   VAL   7           HA       VAL   7  15.951  -3.037  -3.971
   41    HB   VAL   7           HB       VAL   7  13.664  -4.790  -4.877
   42   HG11  VAL   7          HG11      VAL   7  12.196  -3.319  -3.617
   43   HG12  VAL   7          HG12      VAL   7  13.571  -2.354  -3.081
   44   HG13  VAL   7          HG13      VAL   7  13.386  -4.014  -2.517
   45   HG21  VAL   7          HG21      VAL   7  13.414  -1.957  -5.347
   46   HG22  VAL   7          HG22      VAL   7  13.476  -3.266  -6.527
   47   HG23  VAL   7          HG23      VAL   7  14.969  -2.515  -5.964
   48    H    ALA   8           HN       ALA   8  15.189  -6.504  -3.774
   49    HA   ALA   8           HA       ALA   8  14.719  -6.573  -0.985
   50    HB1  ALA   8           HB1      ALA   8  15.868  -9.032  -2.009
   51    HB2  ALA   8           HB2      ALA   8  14.633  -8.399  -3.098
   52    HB3  ALA   8           HB3      ALA   8  14.238  -8.723  -1.411
   53    H    ALA   9           HN       ALA   9  17.640  -6.935  -2.934
   54    HA   ALA   9           HA       ALA   9  19.362  -7.810  -0.870
   55    HB1  ALA   9           HB1      ALA   9  19.840  -7.867  -3.349
   56    HB2  ALA   9           HB2      ALA   9  21.162  -7.252  -2.355
   57    HB3  ALA   9           HB3      ALA   9  20.143  -6.131  -3.259
   58    H    DBU  10           HN       DHB  10  18.385  -4.588  -1.968
   59    HB   DBU  10           HB       DHB  10  20.017  -1.377  -0.314
   60    HG1  DBU  10           HG1      DHB  10  20.105  -2.283  -3.063
   61    HG2  DBU  10           HG2      DHB  10  21.459  -3.048  -2.231
   62    HG3  DBU  10           HG3      DHB  10  21.323  -1.289  -2.261
   63    H    ALA  11           HN       ALA  11  16.697  -3.683  -0.183
   64    HA   ALA  11           HA       ALA  11  16.365  -2.497   2.361
   65    HB1  ALA  11           HB1      ALA  11  14.166  -2.975   2.072
   66    HB2  ALA  11           HB2      ALA  11  14.485  -4.656   1.643
   67    HB3  ALA  11           HB3      ALA  11  14.664  -3.389   0.430
   68    H    ALA  12           HN       ALA  12  16.948  -5.835   1.343
   69    HA   ALA  12           HA       ALA  12  16.604  -7.039   3.884
   70    HB1  ALA  12           HB1      ALA  12  17.868  -8.929   2.913
   71    HB2  ALA  12           HB2      ALA  12  18.298  -7.919   1.533
   72    HB3  ALA  12           HB3      ALA  12  16.613  -8.352   1.818
   73    H    ALA  13           HN       ALA  13  19.385  -5.588   2.264
   74    HA   ALA  13           HA       ALA  13  21.362  -6.401   4.116
   75    HB1  ALA  13           HB1      ALA  13  22.244  -5.595   2.120
   76    HB2  ALA  13           HB2      ALA  13  22.507  -4.230   3.205
   77    HB3  ALA  13           HB3      ALA  13  21.151  -4.210   2.078
   78    H    ALA  14           HN       ALA  14  19.192  -3.615   4.004
   79    HA   ALA  14           HA       ALA  14  20.367  -2.151   6.116
   80    HB2  ALA  14           HB2      ALA  14  18.321  -1.689   4.365
   81    HB3  ALA  14           HB3      ALA  14  17.439  -1.953   5.870
   82    H    DHA  15           HN       DHA  15  17.963  -4.751   6.064
   83    HB1  DHA  15           HB1      DHA  15  15.958  -6.183   7.268
   84    HB2  DHA  15           HB2      DHA  15  16.331  -6.550   9.047
   85    H    ALA  16           HN       ALA  16  20.138  -5.830   8.286
   86    HA   ALA  16           HA       ALA  16  20.306  -5.310  11.157
   87    HB1  ALA  16           HB1      ALA  16  22.303  -6.467   9.201
   88    HB2  ALA  16           HB2      ALA  16  21.308  -7.368  10.346
   89    HB3  ALA  16           HB3      ALA  16  22.577  -6.294  10.935
   90    H    ALA  17           HN       ALA  17  21.963  -4.277   8.169
   91    HA   ALA  17           HA       ALA  17  23.685  -2.403   9.379
   92    HB1  ALA  17           HB1      ALA  17  23.285  -3.374   6.822
   93    HB2  ALA  17           HB2      ALA  17  24.437  -2.121   7.282
   94    HB3  ALA  17           HB3      ALA  17  22.839  -1.673   6.683
   95    H    CYS  18           HN       CYS  18  20.495  -1.952   7.860
   96    HA   CYS  18           HA       CYS  18  20.359   0.840   8.144
   97    HB2  CYS  18           HB2      CYS  18  18.263  -1.316   7.933
   98    HB3  CYS  18           HB1      CYS  18  17.821   0.379   8.128
   99    H    GLY  19           HN       GLY  19  19.460  -1.793  10.331
  100    HA2  GLY  19           HA2      GLY  19  18.381  -0.009  12.335
  101    HA3  GLY  19           HA1      GLY  19  18.627  -1.745  12.500
  102    H    TRP  20           HN       TRP  20  21.127  -2.302  12.379
  103    HA   TRP  20           HA       TRP  20  22.309  -1.275  14.721
  104    HB2  TRP  20           HB2      TRP  20  23.448  -2.843  12.405
  105    HB3  TRP  20           HB1      TRP  20  24.388  -2.429  13.838
  106    HD1  TRP  20           HD1      TRP  20  21.797  -4.810  12.568
  107    HE1  TRP  20           HE1      TRP  20  21.123  -6.440  14.462
  108    HE3  TRP  20           HE3      TRP  20  24.044  -2.567  16.576
  109    HZ2  TRP  20           HZ2      TRP  20  21.467  -6.763  17.229
  110    HZ3  TRP  20           HZ3      TRP  20  23.844  -3.576  18.834
  111    HH2  TRP  20           HH2      TRP  20  22.551  -5.674  19.143
  112    H    VAL  21           HN       VAL  21  22.831  -0.536  11.303
  113    HA   VAL  21           HA       VAL  21  24.518   0.888  10.424
  114    HB   VAL  21           HB       VAL  21  22.187   1.855  10.405
  115   HG11  VAL  21          HG11      VAL  21  22.703   2.374  13.062
  116   HG12  VAL  21          HG12      VAL  21  21.419   3.129  12.118
  117   HG13  VAL  21          HG13      VAL  21  22.967   3.950  12.312
  118   HG21  VAL  21          HG21      VAL  21  23.405   3.158   9.020
  119   HG22  VAL  21          HG22      VAL  21  24.771   3.206  10.131
  120   HG23  VAL  21          HG23      VAL  21  23.420   4.318  10.347
  121    H    GLY  22           HN       GLY  22  26.059   0.060  12.250
  122    HA2  GLY  22           HA2      GLY  22  26.626   1.787  14.439
  123    HA3  GLY  22           HA1      GLY  22  27.702   0.552  13.789
  124    H    GLY  23           HN       GLY  23  26.704   2.544  11.306
  125    HA2  GLY  23           HA2      GLY  23  27.560   4.636  10.532
  126    HA3  GLY  23           HA1      GLY  23  28.887   4.487  11.680
  127    H    GLY  24           HN       GLY  24  28.773   1.494  10.616
  128    HA2  GLY  24           HA2      GLY  24  31.056   1.686   8.954
  129    HA3  GLY  24           HA1      GLY  24  30.067   0.246   9.178
  130    H    ILE  25           HN       ILE  25  27.603   1.366   8.264
  131    HA   ILE  25           HA       ILE  25  27.768   0.844   5.506
  132    HB   ILE  25           HB       ILE  25  25.685   0.544   6.625
  133   HG12  ILE  25          HG12      ILE  25  24.205   1.634   5.151
  134   HG13  ILE  25          HG11      ILE  25  25.217   3.076   5.061
  135   HG21  ILE  25          HG21      ILE  25  26.358   2.540   8.251
  136   HG22  ILE  25          HG22      ILE  25  24.676   2.062   8.033
  137   HG23  ILE  25          HG23      ILE  25  25.317   3.453   7.159
  138   HD11  ILE  25          HD11      ILE  25  26.642   2.149   3.517
  139   HD12  ILE  25          HD12      ILE  25  25.193   1.227   3.112
  140   HD13  ILE  25          HD13      ILE  25  26.433   0.514   4.145
  141    H    PHE  26           HN       PHE  26  27.236   3.899   7.211
  142    HA   PHE  26           HA       PHE  26  27.310   5.558   4.933
  143    HB2  PHE  26           HB2      PHE  26  26.438   6.246   7.169
  144    HB3  PHE  26           HB1      PHE  26  28.098   6.300   7.762
  145    HD1  PHE  26           HD1      PHE  26  25.883   7.660   5.072
  146    HD2  PHE  26           HD2      PHE  26  29.405   8.234   7.464
  147    HE1  PHE  26           HE1      PHE  26  26.140   9.946   4.146
  148    HE2  PHE  26           HE2      PHE  26  29.660  10.521   6.538
  149    HZ   PHE  26           HZ       PHE  26  28.028  11.376   4.879
  150    H    THR  27           HN       THR  27  29.856   4.561   7.204
  151    HA   THR  27           HA       THR  27  31.939   6.131   6.143
  152    HB   THR  27           HB       THR  27  32.057   3.430   7.508
  153    HG1  THR  27           HG1      THR  27  31.123   5.143   8.714
  154   HG21  THR  27          HG21      THR  27  34.094   4.164   6.142
  155   HG22  THR  27          HG22      THR  27  34.379   3.822   7.848
  156   HG23  THR  27          HG23      THR  27  34.254   5.491   7.293
  157    H    GLY  28           HN       GLY  28  30.913   2.804   5.380
  158    HA2  GLY  28           HA2      GLY  28  32.912   2.333   3.416
  159    HA3  GLY  28           HA1      GLY  28  31.401   1.443   3.581
  160    H    VAL  29           HN       VAL  29  29.583   3.534   3.258
  161    HA   VAL  29           HA       VAL  29  29.397   3.713   0.445
  162    HB   VAL  29           HB       VAL  29  27.940   5.029   2.729
  163   HG11  VAL  29          HG11      VAL  29  28.108   6.517   0.658
  164   HG12  VAL  29          HG12      VAL  29  26.478   6.108   1.190
  165   HG13  VAL  29          HG13      VAL  29  27.191   5.271  -0.188
  166   HG21  VAL  29          HG21      VAL  29  27.683   2.552   2.005
  167   HG22  VAL  29          HG22      VAL  29  26.877   3.199   0.576
  168   HG23  VAL  29          HG23      VAL  29  26.212   3.509   2.180
  169    H    DBU  30           HN       DHB  30  30.317   6.091   2.936
  170    HB   DBU  30           HB       DHB  30  31.381   9.739   1.866
  171    HG1  DBU  30           HG1      DHB  30  29.050   8.682   3.335
  172    HG2  DBU  30           HG2      DHB  30  28.627   8.978   1.649
  173    HG3  DBU  30           HG3      DHB  30  29.234  10.297   2.652
  174    H    VAL  31           HN       VAL  31  32.764   5.859   2.755
  175    HA   VAL  31           HA       VAL  31  35.249   6.890   1.917
  176    HB   VAL  31           HB       VAL  31  34.330   4.164   2.819
  177   HG11  VAL  31          HG11      VAL  31  36.150   3.401   1.675
  178   HG12  VAL  31          HG12      VAL  31  37.034   4.072   3.045
  179   HG13  VAL  31          HG13      VAL  31  36.875   5.003   1.556
  180   HG21  VAL  31          HG21      VAL  31  36.304   6.040   4.120
  181   HG22  VAL  31          HG22      VAL  31  35.355   4.755   4.866
  182   HG23  VAL  31          HG23      VAL  31  34.568   6.247   4.350
  183    H    VAL  32           HN       VAL  32  33.138   4.379   0.541
  184    HA   VAL  32           HA       VAL  32  34.829   3.681  -1.606
  185    HB   VAL  32           HB       VAL  32  31.976   3.260  -0.895
  186   HG11  VAL  32          HG11      VAL  32  31.351   3.624  -3.066
  187   HG12  VAL  32          HG12      VAL  32  32.046   2.023  -3.309
  188   HG13  VAL  32          HG13      VAL  32  32.997   3.462  -3.675
  189   HG21  VAL  32          HG21      VAL  32  34.385   1.627  -1.699
  190   HG22  VAL  32          HG22      VAL  32  32.772   0.911  -1.659
  191   HG23  VAL  32          HG23      VAL  32  33.477   1.576  -0.186
  192    H    VAL  33           HN       VAL  33  32.144   6.009  -1.390
  193    HA   VAL  33           HA       VAL  33  32.182   6.795  -4.094
  194    HB   VAL  33           HB       VAL  33  31.073   8.873  -3.254
  195   HG11  VAL  33          HG11      VAL  33  29.220   7.509  -1.976
  196   HG12  VAL  33          HG12      VAL  33  30.202   6.118  -2.436
  197   HG13  VAL  33          HG13      VAL  33  29.529   7.173  -3.679
  198   HG21  VAL  33          HG21      VAL  33  30.615   9.052  -0.846
  199   HG22  VAL  33          HG22      VAL  33  32.354   9.039  -1.136
  200   HG23  VAL  33          HG23      VAL  33  31.546   7.585  -0.550
  201    H    DAL  34           HN       DAL  34  33.901   8.014  -1.256
  202    HA   DAL  34           HA       DAL  34  35.887   9.138  -1.107
  203    HB1  DAL  34           HB2      DAL  34  34.672  10.835  -3.272
  204    HB2  DAL  34           HB3      DAL  34  34.343  11.000  -1.552
  205    H    LEU  35           HN       LEU  35  36.614   7.000  -2.160
  206    HA   LEU  35           HA       LEU  35  38.774   7.574  -3.844
  207    HB2  LEU  35           HB2      LEU  35  38.692   5.635  -2.324
  208    HB3  LEU  35           HB1      LEU  35  37.419   4.918  -3.313
  209    HG   LEU  35           HG       LEU  35  38.907   4.813  -5.234
  210   HD11  LEU  35          HD11      LEU  35  40.386   6.708  -3.587
  211   HD12  LEU  35          HD12      LEU  35  40.504   6.413  -5.324
  212   HD13  LEU  35          HD13      LEU  35  41.432   5.423  -4.196
  213   HD21  LEU  35          HD21      LEU  35  39.769   2.874  -4.452
  214   HD22  LEU  35          HD22      LEU  35  39.227   3.353  -2.843
  215   HD23  LEU  35          HD23      LEU  35  40.863   3.740  -3.375
  216    H    LYS  36           HN       LYS  36  35.573   6.212  -4.517
  217    HA   LYS  36           HA       LYS  36  36.000   5.619  -7.236
  218    HB2  LYS  36           HB2      LYS  36  33.495   6.235  -5.694
  219    HB3  LYS  36           HB1      LYS  36  33.492   5.775  -7.398
  220    HG2  LYS  36           HG2      LYS  36  34.761   3.711  -6.802
  221    HG3  LYS  36           HG1      LYS  36  34.619   4.158  -5.101
  222    HD2  LYS  36           HD2      LYS  36  32.189   4.101  -5.255
  223    HD3  LYS  36           HD1      LYS  36  32.293   3.742  -6.977
  224    HE2  LYS  36           HE2      LYS  36  33.461   1.630  -6.479
  225    HE3  LYS  36           HE1      LYS  36  33.374   1.983  -4.753
  226    HZ1  LYS  36           HZ1      LYS  36  30.807   2.265  -5.734
  227    HZ2  LYS  36           HZ2      LYS  36  31.398   1.013  -4.751
  228    HZ3  LYS  36           HZ3      LYS  36  31.407   0.845  -6.441
  229    H    HIS  37           HN       HIS  37  34.942   8.578  -5.612
  230    HA   HIS  37           HA       HIS  37  35.012   9.929  -8.243
  231    HB2  HIS  37           HB2      HIS  37  33.355  10.565  -5.796
  232    HB3  HIS  37           HB1      HIS  37  33.426  11.569  -7.248
  233    HD2  HIS  37           HD2      HIS  37  31.912   8.128  -6.104
  234    HE1  HIS  37           HE1      HIS  37  30.605   8.887 -10.046
  235    HE2  HIS  37           HE2      HIS  37  30.339   7.353  -8.040
  236    H    CYS  38           HN       CYS  38  35.400  10.686  -4.752
  237    HA   CYS  38           HA       CYS  38  37.198  12.870  -5.477
  238    HB2  CYS  38           HB2      CYS  38  36.832  13.709  -3.347
  239    HB3  CYS  38           HB1      CYS  38  35.295  12.919  -3.692
  Start of MODEL   14
    1    H1   ABA   1           HT1      ABU   1   6.416 -14.340  -8.223
    2    H2   ABA   1           HT2      ABU   1   5.622 -12.843  -8.359
    3    H3   ABA   1           HT3      ABU   1   5.306 -13.859  -7.034
    4    HA   ABA   1           HA       ABU   1   6.751 -12.005  -6.420
    5    HB2  ABA   1           HB2      ABU   1   8.604 -14.314  -6.299
    6    HG1  ABA   1           HG1      ABU   1   7.081 -15.613  -4.841
    7    HG3  ABA   1           HG3      ABU   1   5.779 -14.479  -5.198
    8    HG2  ABA   1           HG2      ABU   1   6.444 -15.491  -6.480
    9    H    DBU   2           HN       DHB   2   8.669 -14.359  -8.320
   10    HB   DBU   2           HB       DHB   2  11.165 -13.570 -11.123
   11    HG1  DBU   2           HG1      DHB   2   8.725 -15.310 -10.539
   12    HG2  DBU   2           HG2      DHB   2  10.325 -16.053 -10.546
   13    HG3  DBU   2           HG3      DHB   2   9.698 -15.298 -12.011
   14    HA   PRO   3           HA       PRO   3  12.328  -9.690  -9.785
   15    HB2  PRO   3           HB2      PRO   3   9.961  -8.241 -10.880
   16    HB3  PRO   3           HB1      PRO   3  11.648  -8.179 -11.396
   17    HG2  PRO   3           HG2      PRO   3   9.869  -9.469 -12.827
   18    HG3  PRO   3           HG1      PRO   3  11.489 -10.153 -12.580
   19    HD2  PRO   3           HD2      PRO   3   8.914 -10.894 -11.255
   20    HD3  PRO   3           HD1      PRO   3  10.235 -11.939 -11.804
   21    H    VAL   4           HN       VAL   4   8.882  -9.480  -8.935
   22    HA   VAL   4           HA       VAL   4   9.085  -7.291  -7.158
   23    HB   VAL   4           HB       VAL   4   7.087  -9.553  -7.341
   24   HG11  VAL   4          HG11      VAL   4   6.524  -8.914  -5.229
   25   HG12  VAL   4          HG12      VAL   4   5.821  -7.509  -6.031
   26   HG13  VAL   4          HG13      VAL   4   7.440  -7.411  -5.339
   27   HG21  VAL   4          HG21      VAL   4   7.479  -7.580  -9.107
   28   HG22  VAL   4          HG22      VAL   4   6.506  -6.684  -7.940
   29   HG23  VAL   4          HG23      VAL   4   5.858  -8.140  -8.695
   30    H    CYS   5           HN       CYS   5   9.155 -10.800  -6.596
   31    HA   CYS   5           HA       CYS   5   9.410 -10.667  -3.784
   32    HB2  CYS   5           HB2      CYS   5   9.992 -12.760  -5.854
   33    HB3  CYS   5           HB1      CYS   5  10.503 -13.010  -4.183
   34    H    ALA   6           HN       ALA   6  11.769 -10.629  -6.405
   35    HA   ALA   6           HA       ALA   6  14.099 -10.965  -4.858
   36    HB1  ALA   6           HB1      ALA   6  13.796  -9.356  -7.402
   37    HB2  ALA   6           HB2      ALA   6  14.004 -11.105  -7.344
   38    HB3  ALA   6           HB3      ALA   6  15.288 -10.045  -6.764
   39    H    VAL   7           HN       VAL   7  12.242  -8.071  -5.711
   40    HA   VAL   7           HA       VAL   7  14.056  -6.171  -4.683
   41    HB   VAL   7           HB       VAL   7  11.067  -6.111  -5.110
   42   HG11  VAL   7          HG11      VAL   7  12.980  -3.950  -4.205
   43   HG12  VAL   7          HG12      VAL   7  11.531  -4.516  -3.376
   44   HG13  VAL   7          HG13      VAL   7  11.388  -3.610  -4.883
   45   HG21  VAL   7          HG21      VAL   7  11.581  -4.986  -7.122
   46   HG22  VAL   7          HG22      VAL   7  12.815  -6.243  -7.034
   47   HG23  VAL   7          HG23      VAL   7  13.212  -4.584  -6.584
   48    H    ALA   8           HN       ALA   8  11.275  -7.837  -3.232
   49    HA   ALA   8           HA       ALA   8  11.340  -6.520  -0.737
   50    HB1  ALA   8           HB1      ALA   8   9.622  -8.245  -1.853
   51    HB2  ALA   8           HB2      ALA   8   9.698  -7.989  -0.110
   52    HB3  ALA   8           HB3      ALA   8  10.512  -9.375  -0.834
   53    H    ALA   9           HN       ALA   9  13.083  -9.304  -1.996
   54    HA   ALA   9           HA       ALA   9  14.125 -10.300   0.418
   55    HB1  ALA   9           HB1      ALA   9  14.543 -11.760  -1.306
   56    HB2  ALA   9           HB2      ALA   9  16.097 -10.928  -1.270
   57    HB3  ALA   9           HB3      ALA   9  14.878 -10.468  -2.459
   58    H    DBU  10           HN       DHB  10  15.248  -7.716  -1.736
   59    HB   DBU  10           HB       DHB  10  18.620  -5.801  -0.959
   60    HG1  DBU  10           HG1      DHB  10  18.590  -6.792  -3.329
   61    HG2  DBU  10           HG2      DHB  10  17.807  -8.227  -2.664
   62    HG3  DBU  10           HG3      DHB  10  19.465  -7.834  -2.206
   63    H    ALA  11           HN       ALA  11  14.433  -6.050  -0.099
   64    HA   ALA  11           HA       ALA  11  14.991  -3.880   1.618
   65    HB1  ALA  11           HB1      ALA  11  12.452  -5.483   1.779
   66    HB2  ALA  11           HB2      ALA  11  12.802  -4.491   0.364
   67    HB3  ALA  11           HB3      ALA  11  12.676  -3.743   1.956
   68    H    ALA  12           HN       ALA  12  14.381  -7.303   2.227
   69    HA   ALA  12           HA       ALA  12  14.430  -6.949   5.109
   70    HB1  ALA  12           HB1      ALA  12  13.058  -8.726   4.692
   71    HB2  ALA  12           HB2      ALA  12  14.576  -9.617   4.798
   72    HB3  ALA  12           HB3      ALA  12  13.917  -9.181   3.221
   73    H    ALA  13           HN       ALA  13  16.586  -8.034   2.552
   74    HA   ALA  13           HA       ALA  13  18.588  -9.211   4.146
   75    HB1  ALA  13           HB1      ALA  13  19.880  -8.004   1.967
   76    HB2  ALA  13           HB2      ALA  13  18.263  -8.403   1.389
   77    HB3  ALA  13           HB3      ALA  13  19.293  -9.663   2.066
   78    H    ALA  14           HN       ALA  14  17.788  -5.889   3.484
   79    HA   ALA  14           HA       ALA  14  20.253  -4.692   4.166
   80    HB2  ALA  14           HB2      ALA  14  17.912  -3.744   3.202
   81    HB3  ALA  14           HB3      ALA  14  17.778  -3.240   4.887
   82    H    DHA  15           HN       DHA  15  17.476  -5.720   6.120
   83    HB1  DHA  15           HB1      DHA  15  16.054  -5.456   8.482
   84    HB2  DHA  15           HB2      DHA  15  17.158  -5.608   9.967
   85    H    ALA  16           HN       ALA  16  20.027  -6.999   7.295
   86    HA   ALA  16           HA       ALA  16  21.803  -6.427   9.544
   87    HB1  ALA  16           HB1      ALA  16  21.871  -8.701   9.138
   88    HB2  ALA  16           HB2      ALA  16  23.239  -8.163   8.163
   89    HB3  ALA  16           HB3      ALA  16  21.689  -8.503   7.395
   90    H    ALA  17           HN       ALA  17  22.121  -6.526   5.977
   91    HA   ALA  17           HA       ALA  17  24.607  -5.202   5.880
   92    HB1  ALA  17           HB1      ALA  17  23.278  -6.525   4.048
   93    HB2  ALA  17           HB2      ALA  17  24.357  -5.213   3.573
   94    HB3  ALA  17           HB3      ALA  17  22.617  -4.938   3.657
   95    H    CYS  18           HN       CYS  18  21.308  -3.944   5.463
   96    HA   CYS  18           HA       CYS  18  22.010  -1.259   4.980
   97    HB2  CYS  18           HB2      CYS  18  19.523  -2.513   6.160
   98    HB3  CYS  18           HB1      CYS  18  19.657  -0.802   5.760
   99    H    GLY  19           HN       GLY  19  21.365  -3.042   7.962
  100    HA2  GLY  19           HA2      GLY  19  21.364  -0.865   9.744
  101    HA3  GLY  19           HA1      GLY  19  21.765  -2.527  10.171
  102    H    TRP  20           HN       TRP  20  24.010  -2.889   8.508
  103    HA   TRP  20           HA       TRP  20  26.053  -1.753  10.114
  104    HB2  TRP  20           HB2      TRP  20  26.043  -3.910   8.610
  105    HB3  TRP  20           HB1      TRP  20  26.600  -2.798   7.367
  106    HD1  TRP  20           HD1      TRP  20  28.646  -4.874   8.130
  107    HE1  TRP  20           HE1      TRP  20  30.794  -4.266   9.450
  108    HE3  TRP  20           HE3      TRP  20  27.202  -0.478  10.253
  109    HZ2  TRP  20           HZ2      TRP  20  31.757  -2.233  11.139
  110    HZ3  TRP  20           HZ3      TRP  20  28.763   0.783  11.721
  111    HH2  TRP  20           HH2      TRP  20  31.041  -0.115  12.150
  112    H    VAL  21           HN       VAL  21  25.958  -1.427   6.579
  113    HA   VAL  21           HA       VAL  21  27.461   0.846   6.324
  114    HB   VAL  21           HB       VAL  21  25.701   1.278   4.330
  115   HG11  VAL  21          HG11      VAL  21  28.116   0.655   4.178
  116   HG12  VAL  21          HG12      VAL  21  27.121  -0.169   2.976
  117   HG13  VAL  21          HG13      VAL  21  27.662  -1.033   4.415
  118   HG21  VAL  21          HG21      VAL  21  25.486  -1.687   4.536
  119   HG22  VAL  21          HG22      VAL  21  24.372  -0.526   3.815
  120   HG23  VAL  21          HG23      VAL  21  24.413  -0.737   5.565
  121    H    GLY  22           HN       GLY  22  27.139   2.431   7.863
  122    HA2  GLY  22           HA2      GLY  22  24.528   3.518   8.423
  123    HA3  GLY  22           HA1      GLY  22  26.065   4.130   9.027
  124    H    GLY  23           HN       GLY  23  25.678   3.613   5.623
  125    HA2  GLY  23           HA2      GLY  23  24.522   5.806   4.557
  126    HA3  GLY  23           HA1      GLY  23  26.076   6.441   5.092
  127    H    GLY  24           HN       GLY  24  25.086   3.350   3.607
  128    HA2  GLY  24           HA2      GLY  24  26.014   2.181   1.851
  129    HA3  GLY  24           HA1      GLY  24  26.080   3.753   1.052
  130    H    ILE  25           HN       ILE  25  27.916   1.218   2.244
  131    HA   ILE  25           HA       ILE  25  30.175   2.056   3.380
  132    HB   ILE  25           HB       ILE  25  30.128  -0.154   2.703
  133   HG12  ILE  25          HG12      ILE  25  32.144  -0.519   1.485
  134   HG13  ILE  25          HG11      ILE  25  31.965   0.998   0.604
  135   HG21  ILE  25          HG21      ILE  25  29.521   0.902  -0.049
  136   HG22  ILE  25          HG22      ILE  25  28.492  -0.095   0.981
  137   HG23  ILE  25          HG23      ILE  25  29.943  -0.785   0.250
  138   HD11  ILE  25          HD11      ILE  25  31.956   1.566   3.413
  139   HD12  ILE  25          HD12      ILE  25  33.117   2.081   2.191
  140   HD13  ILE  25          HD13      ILE  25  33.353   0.557   3.047
  141    H    PHE  26           HN       PHE  26  29.129   2.868   0.185
  142    HA   PHE  26           HA       PHE  26  31.480   3.917  -0.897
  143    HB2  PHE  26           HB2      PHE  26  29.386   3.637  -2.189
  144    HB3  PHE  26           HB1      PHE  26  28.661   4.970  -1.290
  145    HD1  PHE  26           HD1      PHE  26  31.617   4.130  -3.432
  146    HD2  PHE  26           HD2      PHE  26  28.943   7.188  -2.031
  147    HE1  PHE  26           HE1      PHE  26  32.640   5.749  -5.009
  148    HE2  PHE  26           HE2      PHE  26  29.968   8.805  -3.608
  149    HZ   PHE  26           HZ       PHE  26  31.815   8.086  -5.098
  150    H    THR  27           HN       THR  27  29.064   5.496   1.216
  151    HA   THR  27           HA       THR  27  30.151   8.079   1.156
  152    HB   THR  27           HB       THR  27  28.769   6.644   3.437
  153    HG1  THR  27           HG1      THR  27  27.591   6.777   1.472
  154   HG21  THR  27          HG21      THR  27  29.644   9.465   2.996
  155   HG22  THR  27          HG22      THR  27  29.589   8.527   4.489
  156   HG23  THR  27          HG23      THR  27  28.102   9.189   3.807
  157    H    GLY  28           HN       GLY  28  30.875   5.327   3.295
  158    HA2  GLY  28           HA2      GLY  28  32.782   6.695   4.895
  159    HA3  GLY  28           HA1      GLY  28  32.635   4.945   4.736
  160    H    VAL  29           HN       VAL  29  33.091   4.644   2.006
  161    HA   VAL  29           HA       VAL  29  35.913   4.670   1.887
  162    HB   VAL  29           HB       VAL  29  33.738   4.144  -0.128
  163   HG11  VAL  29          HG11      VAL  29  36.236   3.242  -1.110
  164   HG12  VAL  29          HG12      VAL  29  36.450   4.934  -0.662
  165   HG13  VAL  29          HG13      VAL  29  35.188   4.478  -1.805
  166   HG21  VAL  29          HG21      VAL  29  34.900   2.619   1.870
  167   HG22  VAL  29          HG22      VAL  29  35.814   2.145   0.439
  168   HG23  VAL  29          HG23      VAL  29  34.059   1.975   0.460
  169    H    DBU  30           HN       DHB  30  33.434   6.721   0.355
  170    HB   DBU  30           HB       DHB  30  34.546   9.713  -1.976
  171    HG1  DBU  30           HG1      DHB  30  34.094   8.227  -3.737
  172    HG2  DBU  30           HG2      DHB  30  33.076   7.310  -2.625
  173    HG3  DBU  30           HG3      DHB  30  34.787   6.910  -2.789
  174    H    VAL  31           HN       VAL  31  33.560   8.531   1.997
  175    HA   VAL  31           HA       VAL  31  34.277  11.202   2.594
  176    HB   VAL  31           HB       VAL  31  33.372   8.873   4.280
  177   HG11  VAL  31          HG11      VAL  31  33.102  10.628   6.085
  178   HG12  VAL  31          HG12      VAL  31  34.100  11.696   5.097
  179   HG13  VAL  31          HG13      VAL  31  34.773  10.193   5.727
  180   HG21  VAL  31          HG21      VAL  31  31.285   9.798   4.060
  181   HG22  VAL  31          HG22      VAL  31  31.983  10.484   2.593
  182   HG23  VAL  31          HG23      VAL  31  31.906  11.448   4.067
  183    H    VAL  32           HN       VAL  32  35.725   8.073   3.457
  184    HA   VAL  32           HA       VAL  32  37.773   9.097   5.103
  185    HB   VAL  32           HB       VAL  32  37.421   6.539   3.557
  186   HG11  VAL  32          HG11      VAL  32  39.486   5.715   4.477
  187   HG12  VAL  32          HG12      VAL  32  39.720   7.188   5.416
  188   HG13  VAL  32          HG13      VAL  32  39.855   7.232   3.658
  189   HG21  VAL  32          HG21      VAL  32  37.604   5.775   6.060
  190   HG22  VAL  32          HG22      VAL  32  36.104   6.514   5.496
  191   HG23  VAL  32          HG23      VAL  32  37.271   7.470   6.414
  192    H    VAL  33           HN       VAL  33  37.688   8.325   1.638
  193    HA   VAL  33           HA       VAL  33  40.397   8.877   1.116
  194    HB   VAL  33           HB       VAL  33  39.584   9.259  -1.246
  195   HG11  VAL  33          HG11      VAL  33  38.728   6.810   0.308
  196   HG12  VAL  33          HG12      VAL  33  40.214   7.033  -0.614
  197   HG13  VAL  33          HG13      VAL  33  38.669   6.895  -1.453
  198   HG21  VAL  33          HG21      VAL  33  36.912   8.701   0.076
  199   HG22  VAL  33          HG22      VAL  33  37.187   8.743  -1.664
  200   HG23  VAL  33          HG23      VAL  33  37.390  10.208  -0.705
  201    H    DAL  34           HN       DAL  34  37.530  10.939   1.134
  202    HA   DAL  34           HA       DAL  34  37.328  13.209   1.286
  203    HB1  DAL  34           HB2      DAL  34  39.724  13.177  -0.544
  204    HB2  DAL  34           HB3      DAL  34  38.044  13.079  -1.050
  205    H    LEU  35           HN       LEU  35  38.049  12.625   3.565
  206    HA   LEU  35           HA       LEU  35  39.706  14.650   4.549
  207    HB2  LEU  35           HB2      LEU  35  37.942  13.557   5.879
  208    HB3  LEU  35           HB1      LEU  35  38.863  12.053   5.869
  209    HG   LEU  35           HG       LEU  35  40.695  13.120   7.067
  210   HD11  LEU  35          HD11      LEU  35  39.308  15.487   6.128
  211   HD12  LEU  35          HD12      LEU  35  40.953  15.343   6.750
  212   HD13  LEU  35          HD13      LEU  35  39.608  15.588   7.864
  213   HD21  LEU  35          HD21      LEU  35  39.527  13.649   9.191
  214   HD22  LEU  35          HD22      LEU  35  38.839  12.216   8.426
  215   HD23  LEU  35          HD23      LEU  35  38.001  13.764   8.316
  216    H    LYS  36           HN       LYS  36  40.334  11.217   3.924
  217    HA   LYS  36           HA       LYS  36  42.940  11.150   5.011
  218    HB2  LYS  36           HB2      LYS  36  41.596   9.474   2.885
  219    HB3  LYS  36           HB1      LYS  36  43.209   9.133   3.512
  220    HG2  LYS  36           HG2      LYS  36  40.734   9.377   5.245
  221    HG3  LYS  36           HG1      LYS  36  41.396   7.845   4.675
  222    HD2  LYS  36           HD2      LYS  36  43.534   8.353   5.798
  223    HD3  LYS  36           HD1      LYS  36  42.867   9.880   6.374
  224    HE2  LYS  36           HE2      LYS  36  41.118   8.659   7.608
  225    HE3  LYS  36           HE1      LYS  36  41.773   7.129   7.028
  226    HZ1  LYS  36           HZ1      LYS  36  42.622   7.552   9.204
  227    HZ2  LYS  36           HZ2      LYS  36  43.142   9.109   8.764
  228    HZ3  LYS  36           HZ3      LYS  36  43.896   7.739   8.101
  229    H    HIS  37           HN       HIS  37  41.726  11.929   1.779
  230    HA   HIS  37           HA       HIS  37  44.487  12.650   1.006
  231    HB2  HIS  37           HB2      HIS  37  42.136  11.887  -0.739
  232    HB3  HIS  37           HB1      HIS  37  43.727  12.368  -1.332
  233    HD2  HIS  37           HD2      HIS  37  41.956   9.220   0.072
  234    HE1  HIS  37           HE1      HIS  37  46.056   8.277  -0.287
  235    HE2  HIS  37           HE2      HIS  37  43.745   7.319   0.151
  236    H    CYS  38           HN       CYS  38  41.137  13.612   0.187
  237    HA   CYS  38           HA       CYS  38  42.070  16.320  -0.374
  238    HB2  CYS  38           HB2      CYS  38  40.092  16.608  -1.550
  239    HB3  CYS  38           HB1      CYS  38  40.393  14.885  -1.778
  Start of MODEL   15
    1    H1   ABA   1           HT1      ABU   1  12.800 -12.319 -10.446
    2    H2   ABA   1           HT2      ABU   1  14.390 -12.821 -10.770
    3    H3   ABA   1           HT3      ABU   1  13.781 -11.404 -11.483
    4    HA   ABA   1           HA       ABU   1  13.427 -10.693  -9.004
    5    HB2  ABA   1           HB2      ABU   1  15.985 -12.129  -8.585
    6    HG1  ABA   1           HG1      ABU   1  14.475 -14.114  -7.727
    7    HG3  ABA   1           HG3      ABU   1  13.349 -13.523  -8.948
    8    HG2  ABA   1           HG2      ABU   1  14.962 -14.053  -9.421
    9    H    DBU   2           HN       DHB   2  16.559 -11.625 -10.475
   10    HB   DBU   2           HB       DHB   2  19.100  -9.293 -12.161
   11    HG1  DBU   2           HG1      DHB   2  17.540 -11.832 -12.743
   12    HG2  DBU   2           HG2      DHB   2  19.199 -12.014 -12.173
   13    HG3  DBU   2           HG3      DHB   2  18.872 -11.153 -13.677
   14    HA   PRO   3           HA       PRO   3  18.118  -5.744 -10.002
   15    HB2  PRO   3           HB2      PRO   3  15.709  -4.983 -11.575
   16    HB3  PRO   3           HB1      PRO   3  17.302  -4.229 -11.526
   17    HG2  PRO   3           HG2      PRO   3  16.542  -5.668 -13.607
   18    HG3  PRO   3           HG1      PRO   3  18.211  -5.726 -13.009
   19    HD2  PRO   3           HD2      PRO   3  16.018  -7.727 -12.655
   20    HD3  PRO   3           HD1      PRO   3  17.751  -7.995 -12.879
   21    H    VAL   4           HN       VAL   4  14.820  -7.047 -10.290
   22    HA   VAL   4           HA       VAL   4  13.639  -5.479  -8.256
   23    HB   VAL   4           HB       VAL   4  12.916  -8.195  -9.371
   24   HG11  VAL   4          HG11      VAL   4  12.050  -7.064  -6.947
   25   HG12  VAL   4          HG12      VAL   4  11.286  -8.388  -7.825
   26   HG13  VAL   4          HG13      VAL   4  10.759  -6.728  -8.099
   27   HG21  VAL   4          HG21      VAL   4  11.877  -5.379  -9.812
   28   HG22  VAL   4          HG22      VAL   4  11.108  -6.829 -10.457
   29   HG23  VAL   4          HG23      VAL   4  12.731  -6.384 -10.983
   30    H    CYS   5           HN       CYS   5  15.084  -8.729  -8.193
   31    HA   CYS   5           HA       CYS   5  14.603  -9.214  -5.440
   32    HB2  CYS   5           HB2      CYS   5  16.464 -10.388  -7.487
   33    HB3  CYS   5           HB1      CYS   5  16.579 -10.867  -5.792
   34    H    ALA   6           HN       ALA   6  17.318  -7.789  -7.204
   35    HA   ALA   6           HA       ALA   6  19.134  -7.616  -5.056
   36    HB1  ALA   6           HB1      ALA   6  18.956  -5.577  -7.269
   37    HB2  ALA   6           HB2      ALA   6  19.551  -7.211  -7.563
   38    HB3  ALA   6           HB3      ALA   6  20.390  -6.159  -6.425
   39    H    VAL   7           HN       VAL   7  16.674  -5.332  -6.234
   40    HA   VAL   7           HA       VAL   7  17.269  -3.235  -4.445
   41    HB   VAL   7           HB       VAL   7  14.714  -3.990  -5.876
   42   HG11  VAL   7          HG11      VAL   7  13.827  -1.848  -5.245
   43   HG12  VAL   7          HG12      VAL   7  15.352  -1.370  -4.500
   44   HG13  VAL   7          HG13      VAL   7  14.368  -2.632  -3.762
   45   HG21  VAL   7          HG21      VAL   7  17.175  -2.631  -6.597
   46   HG22  VAL   7          HG22      VAL   7  15.794  -1.550  -6.775
   47   HG23  VAL   7          HG23      VAL   7  15.820  -3.093  -7.627
   48    H    ALA   8           HN       ALA   8  14.964  -5.935  -4.237
   49    HA   ALA   8           HA       ALA   8  13.829  -5.207  -1.753
   50    HB1  ALA   8           HB1      ALA   8  14.116  -8.074  -2.580
   51    HB2  ALA   8           HB2      ALA   8  13.088  -6.995  -3.521
   52    HB3  ALA   8           HB3      ALA   8  12.750  -7.265  -1.812
   53    H    ALA   9           HN       ALA   9  16.630  -7.188  -2.611
   54    HA   ALA   9           HA       ALA   9  17.179  -8.170  -0.011
   55    HB1  ALA   9           HB1      ALA   9  19.485  -7.678  -1.792
   56    HB2  ALA   9           HB2      ALA   9  18.196  -8.667  -2.479
   57    HB3  ALA   9           HB3      ALA   9  18.980  -9.160  -0.979
   58    H    DBU  10           HN       DHB  10  18.149  -5.228  -1.729
   59    HB   DBU  10           HB       DHB  10  20.539  -2.537  -0.206
   60    HG1  DBU  10           HG1      DHB  10  20.729  -4.793  -2.271
   61    HG2  DBU  10           HG2      DHB  10  22.046  -3.745  -1.745
   62    HG3  DBU  10           HG3      DHB  10  20.764  -3.102  -2.773
   63    H    ALA  11           HN       ALA  11  16.641  -3.512  -0.062
   64    HA   ALA  11           HA       ALA  11  16.623  -1.991   2.295
   65    HB1  ALA  11           HB1      ALA  11  14.759  -2.681   0.395
   66    HB2  ALA  11           HB2      ALA  11  14.409  -1.803   1.885
   67    HB3  ALA  11           HB3      ALA  11  14.181  -3.550   1.818
   68    H    ALA  12           HN       ALA  12  16.002  -5.454   1.781
   69    HA   ALA  12           HA       ALA  12  15.379  -6.078   4.467
   70    HB1  ALA  12           HB1      ALA  12  15.945  -7.540   1.997
   71    HB2  ALA  12           HB2      ALA  12  14.818  -7.923   3.300
   72    HB3  ALA  12           HB3      ALA  12  16.516  -8.378   3.440
   73    H    ALA  13           HN       ALA  13  18.428  -5.916   2.699
   74    HA   ALA  13           HA       ALA  13  20.082  -7.126   4.636
   75    HB1  ALA  13           HB1      ALA  13  21.816  -6.517   3.277
   76    HB2  ALA  13           HB2      ALA  13  21.194  -4.883   3.038
   77    HB3  ALA  13           HB3      ALA  13  20.503  -6.230   2.135
   78    H    ALA  14           HN       ALA  14  19.016  -3.780   4.196
   79    HA   ALA  14           HA       ALA  14  20.657  -2.618   6.185
   80    HB2  ALA  14           HB2      ALA  14  18.925  -1.642   4.322
   81    HB3  ALA  14           HB3      ALA  14  17.987  -1.422   5.799
   82    H    DHA  15           HN       DHA  15  17.473  -4.177   6.326
   83    HB1  DHA  15           HB1      DHA  15  15.109  -4.688   7.599
   84    HB2  DHA  15           HB2      DHA  15  15.334  -4.961   9.419
   85    H    ALA  16           HN       ALA  16  19.221  -5.609   8.690
   86    HA   ALA  16           HA       ALA  16  19.513  -4.928  11.520
   87    HB1  ALA  16           HB1      ALA  16  19.814  -7.278  10.764
   88    HB2  ALA  16           HB2      ALA  16  21.251  -6.630  11.553
   89    HB3  ALA  16           HB3      ALA  16  21.194  -6.761   9.794
   90    H    ALA  17           HN       ALA  17  21.434  -4.771   8.520
   91    HA   ALA  17           HA       ALA  17  23.641  -3.402   9.601
   92    HB1  ALA  17           HB1      ALA  17  22.663  -4.132   6.967
   93    HB2  ALA  17           HB2      ALA  17  24.323  -3.920   7.524
   94    HB3  ALA  17           HB3      ALA  17  23.399  -2.530   6.953
   95    H    CYS  18           HN       CYS  18  20.784  -2.132   7.883
   96    HA   CYS  18           HA       CYS  18  21.473   0.594   8.108
   97    HB2  CYS  18           HB2      CYS  18  18.797  -0.781   7.791
   98    HB3  CYS  18           HB1      CYS  18  19.009   0.968   7.726
   99    H    GLY  19           HN       GLY  19  19.575  -1.553  10.187
  100    HA2  GLY  19           HA2      GLY  19  18.713   0.440  12.018
  101    HA3  GLY  19           HA1      GLY  19  18.757  -1.293  12.327
  102    H    TRP  20           HN       TRP  20  21.343  -1.969  12.228
  103    HA   TRP  20           HA       TRP  20  22.390  -0.962  14.677
  104    HB2  TRP  20           HB2      TRP  20  23.507  -2.768  12.533
  105    HB3  TRP  20           HB1      TRP  20  24.440  -2.314  13.957
  106    HD1  TRP  20           HD1      TRP  20  21.504  -4.425  12.842
  107    HE1  TRP  20           HE1      TRP  20  20.730  -5.903  14.817
  108    HE3  TRP  20           HE3      TRP  20  24.298  -2.424  16.616
  109    HZ2  TRP  20           HZ2      TRP  20  21.223  -6.200  17.605
  110    HZ3  TRP  20           HZ3      TRP  20  24.127  -3.322  18.920
  111    HH2  TRP  20           HH2      TRP  20  22.588  -5.209  19.403
  112    H    VAL  21           HN       VAL  21  23.213  -0.428  11.270
  113    HA   VAL  21           HA       VAL  21  25.016   0.861  10.430
  114    HB   VAL  21           HB       VAL  21  22.925   2.623  11.699
  115   HG11  VAL  21          HG11      VAL  21  24.417   4.319  11.547
  116   HG12  VAL  21          HG12      VAL  21  24.208   4.169   9.804
  117   HG13  VAL  21          HG13      VAL  21  25.547   3.348  10.605
  118   HG21  VAL  21          HG21      VAL  21  21.965   2.643   9.587
  119   HG22  VAL  21          HG22      VAL  21  22.699   1.040   9.569
  120   HG23  VAL  21          HG23      VAL  21  23.505   2.388   8.770
  121    H    GLY  22           HN       GLY  22  26.584  -0.017  12.078
  122    HA2  GLY  22           HA2      GLY  22  27.202   1.716  14.328
  123    HA3  GLY  22           HA1      GLY  22  28.057   0.246  13.872
  124    H    GLY  23           HN       GLY  23  27.447   2.554  11.388
  125    HA2  GLY  23           HA2      GLY  23  28.821   4.369  10.663
  126    HA3  GLY  23           HA1      GLY  23  30.124   3.747  11.672
  127    H    GLY  24           HN       GLY  24  29.312   0.974  10.574
  128    HA2  GLY  24           HA2      GLY  24  31.341   0.750   8.630
  129    HA3  GLY  24           HA1      GLY  24  30.096  -0.454   8.947
  130    H    ILE  25           HN       ILE  25  27.811   1.059   8.324
  131    HA   ILE  25           HA       ILE  25  27.701   0.752   5.515
  132    HB   ILE  25           HB       ILE  25  25.665   0.511   6.684
  133   HG12  ILE  25          HG12      ILE  25  24.215   2.014   5.554
  134   HG13  ILE  25          HG11      ILE  25  25.420   3.302   5.569
  135   HG21  ILE  25          HG21      ILE  25  26.744   2.497   8.362
  136   HG22  ILE  25          HG22      ILE  25  25.240   1.609   8.594
  137   HG23  ILE  25          HG23      ILE  25  25.231   3.152   7.738
  138   HD11  ILE  25          HD11      ILE  25  26.402   2.547   3.679
  139   HD12  ILE  25          HD12      ILE  25  24.960   1.550   3.465
  140   HD13  ILE  25          HD13      ILE  25  26.387   0.877   4.249
  141    H    PHE  26           HN       PHE  26  27.813   3.636   7.576
  142    HA   PHE  26           HA       PHE  26  27.738   5.559   5.518
  143    HB2  PHE  26           HB2      PHE  26  27.531   5.891   8.073
  144    HB3  PHE  26           HB1      PHE  26  29.294   5.946   8.070
  145    HD1  PHE  26           HD1      PHE  26  26.328   7.429   6.316
  146    HD2  PHE  26           HD2      PHE  26  30.384   7.970   7.628
  147    HE1  PHE  26           HE1      PHE  26  26.256   9.792   5.567
  148    HE2  PHE  26           HE2      PHE  26  30.310  10.334   6.879
  149    HZ   PHE  26           HZ       PHE  26  28.247  11.245   5.848
  150    H    THR  27           HN       THR  27  30.370   3.656   6.854
  151    HA   THR  27           HA       THR  27  32.537   5.106   5.774
  152    HB   THR  27           HB       THR  27  32.426   2.111   6.190
  153    HG1  THR  27           HG1      THR  27  32.556   2.468   8.271
  154   HG21  THR  27          HG21      THR  27  34.655   2.172   5.862
  155   HG22  THR  27          HG22      THR  27  34.838   3.548   6.949
  156   HG23  THR  27          HG23      THR  27  34.436   3.812   5.253
  157    H    GLY  28           HN       GLY  28  30.679   2.359   4.481
  158    HA2  GLY  28           HA2      GLY  28  32.140   2.105   2.065
  159    HA3  GLY  28           HA1      GLY  28  30.514   1.495   2.353
  160    H    VAL  29           HN       VAL  29  29.186   3.895   2.907
  161    HA   VAL  29           HA       VAL  29  28.619   4.837   0.298
  162    HB   VAL  29           HB       VAL  29  27.791   5.587   3.067
  163   HG11  VAL  29          HG11      VAL  29  26.331   7.314   1.517
  164   HG12  VAL  29          HG12      VAL  29  27.918   7.418   0.756
  165   HG13  VAL  29          HG13      VAL  29  27.737   7.781   2.472
  166   HG21  VAL  29          HG21      VAL  29  25.960   4.434   2.431
  167   HG22  VAL  29          HG22      VAL  29  26.787   4.045   0.923
  168   HG23  VAL  29          HG23      VAL  29  25.752   5.469   1.019
  169    H    DBU  30           HN       DHB  30  30.454   6.244   3.009
  170    HB   DBU  30           HB       DHB  30  32.186   9.777   2.529
  171    HG1  DBU  30           HG1      DHB  30  29.725   8.778   3.966
  172    HG2  DBU  30           HG2      DHB  30  29.440   9.972   2.697
  173    HG3  DBU  30           HG3      DHB  30  30.463  10.376   4.075
  174    H    VAL  31           HN       VAL  31  32.687   5.571   2.246
  175    HA   VAL  31           HA       VAL  31  35.194   6.314   1.145
  176    HB   VAL  31           HB       VAL  31  33.881   3.647   1.663
  177   HG11  VAL  31          HG11      VAL  31  36.524   3.075   1.342
  178   HG12  VAL  31          HG12      VAL  31  36.314   4.328   0.119
  179   HG13  VAL  31          HG13      VAL  31  35.321   2.873   0.070
  180   HG21  VAL  31          HG21      VAL  31  36.360   4.830   2.917
  181   HG22  VAL  31          HG22      VAL  31  35.313   3.559   3.547
  182   HG23  VAL  31          HG23      VAL  31  34.751   5.231   3.518
  183    H    VAL  32           HN       VAL  32  32.369   4.620  -0.198
  184    HA   VAL  32           HA       VAL  32  33.471   4.091  -2.737
  185    HB   VAL  32           HB       VAL  32  31.452   2.968  -1.919
  186   HG11  VAL  32          HG11      VAL  32  29.894   5.490  -2.441
  187   HG12  VAL  32          HG12      VAL  32  30.632   5.219  -0.863
  188   HG13  VAL  32          HG13      VAL  32  29.436   4.082  -1.482
  189   HG21  VAL  32          HG21      VAL  32  30.399   4.517  -4.232
  190   HG22  VAL  32          HG22      VAL  32  30.528   2.772  -4.014
  191   HG23  VAL  32          HG23      VAL  32  31.950   3.712  -4.464
  192    H    VAL  33           HN       VAL  33  31.478   6.787  -1.559
  193    HA   VAL  33           HA       VAL  33  31.220   8.169  -3.984
  194    HB   VAL  33           HB       VAL  33  29.859   8.864  -2.162
  195   HG11  VAL  33          HG11      VAL  33  30.629   9.419  -0.008
  196   HG12  VAL  33          HG12      VAL  33  32.275   9.693  -0.574
  197   HG13  VAL  33          HG13      VAL  33  31.640   8.055  -0.463
  198   HG21  VAL  33          HG21      VAL  33  31.949  11.032  -2.294
  199   HG22  VAL  33          HG22      VAL  33  30.197  11.214  -2.168
  200   HG23  VAL  33          HG23      VAL  33  30.920  10.662  -3.678
  201    H    DAL  34           HN       DAL  34  33.520   8.826  -1.336
  202    HA   DAL  34           HA       DAL  34  35.635   9.709  -1.360
  203    HB1  DAL  34           HB2      DAL  34  35.171  11.232  -3.850
  204    HB2  DAL  34           HB3      DAL  34  34.051  11.539  -2.555
  205    H    LEU  35           HN       LEU  35  34.963   7.248  -2.831
  206    HA   LEU  35           HA       LEU  35  37.459   6.694  -4.000
  207    HB2  LEU  35           HB2      LEU  35  35.652   5.072  -3.091
  208    HB3  LEU  35           HB1      LEU  35  34.955   5.181  -4.706
  209    HG   LEU  35           HG       LEU  35  37.107   4.473  -5.685
  210   HD11  LEU  35          HD11      LEU  35  38.044   5.131  -3.046
  211   HD12  LEU  35          HD12      LEU  35  38.990   4.722  -4.478
  212   HD13  LEU  35          HD13      LEU  35  38.435   3.446  -3.394
  213   HD21  LEU  35          HD21      LEU  35  36.476   2.516  -3.480
  214   HD22  LEU  35          HD22      LEU  35  36.876   2.187  -5.166
  215   HD23  LEU  35          HD23      LEU  35  35.294   2.845  -4.747
  216    H    LYS  36           HN       LYS  36  34.601   8.165  -5.276
  217    HA   LYS  36           HA       LYS  36  35.425   7.732  -8.051
  218    HB2  LYS  36           HB2      LYS  36  32.999   9.057  -6.841
  219    HB3  LYS  36           HB1      LYS  36  33.303   8.941  -8.575
  220    HG2  LYS  36           HG2      LYS  36  33.421   6.462  -8.360
  221    HG3  LYS  36           HG1      LYS  36  33.022   6.616  -6.648
  222    HD2  LYS  36           HD2      LYS  36  30.907   7.763  -7.272
  223    HD3  LYS  36           HD1      LYS  36  31.299   7.507  -8.971
  224    HE2  LYS  36           HE2      LYS  36  31.029   5.276  -6.937
  225    HE3  LYS  36           HE1      LYS  36  29.745   5.766  -8.041
  226    HZ1  LYS  36           HZ1      LYS  36  31.102   5.206  -9.903
  227    HZ2  LYS  36           HZ2      LYS  36  31.101   3.876  -8.846
  228    HZ3  LYS  36           HZ3      LYS  36  32.448   4.909  -8.915
  229    H    HIS  37           HN       HIS  37  34.786  10.431  -5.823
  230    HA   HIS  37           HA       HIS  37  36.148  12.249  -7.700
  231    HB2  HIS  37           HB2      HIS  37  34.641  13.083  -5.227
  232    HB3  HIS  37           HB1      HIS  37  34.992  14.030  -6.676
  233    HD2  HIS  37           HD2      HIS  37  32.546  11.108  -5.586
  234    HE1  HIS  37           HE1      HIS  37  31.177  12.736  -9.237
  235    HE2  HIS  37           HE2      HIS  37  30.641  11.096  -7.373
  236    H    CYS  38           HN       CYS  38  36.429  10.766  -4.584
  237    HA   CYS  38           HA       CYS  38  38.585  12.543  -3.752
  238    HB2  CYS  38           HB2      CYS  38  37.453  10.149  -2.299
  239    HB3  CYS  38           HB1      CYS  38  38.496  11.378  -1.638
  Start of MODEL   16
    1    H1   ABA   1           HT1      ABU   1  15.128 -12.416 -10.403
    2    H2   ABA   1           HT2      ABU   1  16.666 -12.030 -11.014
    3    H3   ABA   1           HT3      ABU   1  15.306 -11.136 -11.502
    4    HA   ABA   1           HA       ABU   1  15.033 -10.209  -9.336
    5    HB2  ABA   1           HB2      ABU   1  17.283 -12.115  -8.646
    6    HG1  ABA   1           HG1      ABU   1  14.380 -11.956  -8.155
    7    HG3  ABA   1           HG3      ABU   1  15.453 -13.355  -8.117
    8    HG2  ABA   1           HG2      ABU   1  15.341 -12.291  -6.715
    9    H    DBU   2           HN       DHB   2  18.481 -10.990  -9.800
   10    HB   DBU   2           HB       DHB   2  21.015  -8.590 -11.521
   11    HG1  DBU   2           HG1      DHB   2  19.390 -10.981 -12.433
   12    HG2  DBU   2           HG2      DHB   2  21.035 -11.285 -11.871
   13    HG3  DBU   2           HG3      DHB   2  20.755 -10.229 -13.257
   14    HA   PRO   3           HA       PRO   3  20.258  -5.540  -8.586
   15    HB2  PRO   3           HB2      PRO   3  19.335  -3.605 -10.294
   16    HB3  PRO   3           HB1      PRO   3  20.943  -4.317 -10.401
   17    HG2  PRO   3           HG2      PRO   3  18.503  -4.863 -11.967
   18    HG3  PRO   3           HG1      PRO   3  20.197  -4.765 -12.488
   19    HD2  PRO   3           HD2      PRO   3  18.937  -7.095 -12.091
   20    HD3  PRO   3           HD1      PRO   3  20.672  -6.892 -11.814
   21    H    VAL   4           HN       VAL   4  17.192  -6.068 -10.271
   22    HA   VAL   4           HA       VAL   4  15.613  -4.246  -8.794
   23    HB   VAL   4           HB       VAL   4  14.913  -6.801 -10.252
   24   HG11  VAL   4          HG11      VAL   4  12.656  -6.427  -9.858
   25   HG12  VAL   4          HG12      VAL   4  12.892  -4.710  -9.530
   26   HG13  VAL   4          HG13      VAL   4  13.340  -5.909  -8.317
   27   HG21  VAL   4          HG21      VAL   4  14.082  -5.243 -11.959
   28   HG22  VAL   4          HG22      VAL   4  15.779  -4.908 -11.613
   29   HG23  VAL   4          HG23      VAL   4  14.520  -3.871 -10.942
   30    H    CYS   5           HN       CYS   5  16.151  -7.747  -8.375
   31    HA   CYS   5           HA       CYS   5  14.703  -7.757  -5.857
   32    HB2  CYS   5           HB2      CYS   5  14.954 -10.096  -5.893
   33    HB3  CYS   5           HB1      CYS   5  14.785  -9.653  -7.591
   34    H    ALA   6           HN       ALA   6  18.041  -8.105  -6.968
   35    HA   ALA   6           HA       ALA   6  19.253  -8.647  -4.499
   36    HB1  ALA   6           HB1      ALA   6  20.409  -7.034  -6.786
   37    HB2  ALA   6           HB2      ALA   6  20.411  -8.795  -6.692
   38    HB3  ALA   6           HB3      ALA   6  21.321  -7.848  -5.514
   39    H    VAL   7           HN       VAL   7  18.653  -5.502  -6.089
   40    HA   VAL   7           HA       VAL   7  19.755  -3.917  -4.024
   41    HB   VAL   7           HB       VAL   7  17.694  -3.297  -6.149
   42   HG11  VAL   7          HG11      VAL   7  19.153  -1.496  -4.206
   43   HG12  VAL   7          HG12      VAL   7  17.410  -1.722  -4.344
   44   HG13  VAL   7          HG13      VAL   7  18.300  -0.916  -5.636
   45   HG21  VAL   7          HG21      VAL   7  20.409  -2.118  -6.179
   46   HG22  VAL   7          HG22      VAL   7  19.459  -2.786  -7.506
   47   HG23  VAL   7          HG23      VAL   7  20.353  -3.862  -6.432
   48    H    ALA   8           HN       ALA   8  16.424  -4.974  -4.725
   49    HA   ALA   8           HA       ALA   8  15.178  -3.577  -2.612
   50    HB1  ALA   8           HB1      ALA   8  13.932  -4.587  -4.480
   51    HB2  ALA   8           HB2      ALA   8  13.324  -5.161  -2.926
   52    HB3  ALA   8           HB3      ALA   8  14.370  -6.194  -3.901
   53    H    ALA   9           HN       ALA   9  16.562  -6.843  -2.782
   54    HA   ALA   9           HA       ALA   9  15.806  -7.662  -0.181
   55    HB1  ALA   9           HB1      ALA   9  18.128  -9.038  -0.682
   56    HB2  ALA   9           HB2      ALA   9  17.587  -8.624  -2.308
   57    HB3  ALA   9           HB3      ALA   9  16.526  -9.529  -1.230
   58    H    DBU  10           HN       DHB  10  18.642  -5.948  -1.430
   59    HB   DBU  10           HB       DHB  10  21.644  -4.849   0.825
   60    HG1  DBU  10           HG1      DHB  10  22.590  -6.820  -0.283
   61    HG2  DBU  10           HG2      DHB  10  22.114  -5.777  -1.625
   62    HG3  DBU  10           HG3      DHB  10  21.080  -7.122  -1.142
   63    H    ALA  11           HN       ALA  11  17.697  -3.791  -0.111
   64    HA   ALA  11           HA       ALA  11  17.989  -2.012   2.052
   65    HB1  ALA  11           HB1      ALA  11  15.233  -2.209   1.324
   66    HB2  ALA  11           HB2      ALA  11  16.207  -2.364  -0.138
   67    HB3  ALA  11           HB3      ALA  11  16.391  -0.949   0.899
   68    H    ALA  12           HN       ALA  12  15.957  -4.904   1.663
   69    HA   ALA  12           HA       ALA  12  14.664  -4.724   4.176
   70    HB1  ALA  12           HB1      ALA  12  15.231  -7.374   2.904
   71    HB2  ALA  12           HB2      ALA  12  14.180  -6.230   2.068
   72    HB3  ALA  12           HB3      ALA  12  13.758  -6.799   3.685
   73    H    ALA  13           HN       ALA  13  17.657  -6.288   3.125
   74    HA   ALA  13           HA       ALA  13  18.205  -7.678   5.527
   75    HB1  ALA  13           HB1      ALA  13  20.560  -7.703   4.682
   76    HB2  ALA  13           HB2      ALA  13  20.057  -6.631   3.375
   77    HB3  ALA  13           HB3      ALA  13  19.378  -8.255   3.495
   78    H    ALA  14           HN       ALA  14  18.553  -4.353   4.600
   79    HA   ALA  14           HA       ALA  14  20.523  -3.541   6.445
   80    HB2  ALA  14           HB2      ALA  14  19.167  -2.291   4.463
   81    HB3  ALA  14           HB3      ALA  14  18.329  -1.637   5.871
   82    H    DHA  15           HN       DHA  15  17.018  -3.953   6.756
   83    HB1  DHA  15           HB1      DHA  15  14.681  -3.335   8.096
   84    HB2  DHA  15           HB2      DHA  15  14.864  -3.541   9.931
   85    H    ALA  16           HN       ALA  16  18.365  -5.560   9.076
   86    HA   ALA  16           HA       ALA  16  18.889  -5.026  11.904
   87    HB1  ALA  16           HB1      ALA  16  19.354  -7.304  10.044
   88    HB2  ALA  16           HB2      ALA  16  18.734  -7.303  11.695
   89    HB3  ALA  16           HB3      ALA  16  20.463  -7.118  11.403
   90    H    ALA  17           HN       ALA  17  20.824  -5.536   8.939
   91    HA   ALA  17           HA       ALA  17  23.279  -4.699  10.045
   92    HB1  ALA  17           HB1      ALA  17  24.102  -5.153   7.992
   93    HB2  ALA  17           HB2      ALA  17  22.916  -4.127   7.186
   94    HB3  ALA  17           HB3      ALA  17  22.487  -5.774   7.654
   95    H    CYS  18           HN       CYS  18  20.906  -2.903   8.085
   96    HA   CYS  18           HA       CYS  18  22.278  -0.447   8.059
   97    HB2  CYS  18           HB2      CYS  18  19.335  -1.105   7.844
   98    HB3  CYS  18           HB1      CYS  18  19.996   0.510   7.595
   99    H    GLY  19           HN       GLY  19  19.916  -1.807  10.318
  100    HA2  GLY  19           HA2      GLY  19  19.543   0.491  11.916
  101    HA3  GLY  19           HA1      GLY  19  19.284  -1.171  12.442
  102    H    TRP  20           HN       TRP  20  21.879  -2.177  12.129
  103    HA   TRP  20           HA       TRP  20  23.087  -1.408  14.558
  104    HB2  TRP  20           HB2      TRP  20  24.054  -3.012  12.197
  105    HB3  TRP  20           HB1      TRP  20  25.083  -2.707  13.595
  106    HD1  TRP  20           HD1      TRP  20  21.304  -3.551  13.480
  107    HE1  TRP  20           HE1      TRP  20  20.920  -5.626  14.982
  108    HE3  TRP  20           HE3      TRP  20  26.107  -4.605  14.865
  109    HZ2  TRP  20           HZ2      TRP  20  22.391  -7.446  16.527
  110    HZ3  TRP  20           HZ3      TRP  20  26.572  -6.528  16.361
  111    HH2  TRP  20           HH2      TRP  20  24.701  -7.938  17.183
  112    H    VAL  21           HN       VAL  21  23.726  -0.472  11.204
  113    HA   VAL  21           HA       VAL  21  25.425   0.909  10.369
  114    HB   VAL  21           HB       VAL  21  23.293   2.199  11.007
  115   HG11  VAL  21          HG11      VAL  21  23.177   3.155  13.039
  116   HG12  VAL  21          HG12      VAL  21  24.737   3.941  12.797
  117   HG13  VAL  21          HG13      VAL  21  24.666   2.312  13.466
  118   HG21  VAL  21          HG21      VAL  21  24.546   4.407  10.612
  119   HG22  VAL  21          HG22      VAL  21  24.743   3.140   9.399
  120   HG23  VAL  21          HG23      VAL  21  26.011   3.424  10.590
  121    H    GLY  22           HN       GLY  22  26.700  -0.660  12.183
  122    HA2  GLY  22           HA2      GLY  22  27.967   0.798  14.289
  123    HA3  GLY  22           HA1      GLY  22  28.484  -0.759  13.644
  124    H    GLY  23           HN       GLY  23  28.067   1.733  11.317
  125    HA2  GLY  23           HA2      GLY  23  30.048   3.396  11.095
  126    HA3  GLY  23           HA1      GLY  23  30.995   1.913  11.015
  127    H    GLY  24           HN       GLY  24  28.247   0.966   9.667
  128    HA2  GLY  24           HA2      GLY  24  29.229   0.894   7.024
  129    HA3  GLY  24           HA1      GLY  24  27.574   0.538   7.509
  130    H    ILE  25           HN       ILE  25  27.060   3.138   8.687
  131    HA   ILE  25           HA       ILE  25  25.977   4.500   6.527
  132    HB   ILE  25           HB       ILE  25  25.170   5.016   8.686
  133   HG12  ILE  25          HG12      ILE  25  25.242   7.388   8.715
  134   HG13  ILE  25          HG11      ILE  25  26.859   7.426   8.011
  135   HG21  ILE  25          HG21      ILE  25  27.674   6.276   9.660
  136   HG22  ILE  25          HG22      ILE  25  27.652   4.513   9.599
  137   HG23  ILE  25          HG23      ILE  25  26.444   5.379  10.548
  138   HD11  ILE  25          HD11      ILE  25  24.567   7.760   6.566
  139   HD12  ILE  25          HD12      ILE  25  24.820   6.023   6.390
  140   HD13  ILE  25          HD13      ILE  25  26.078   7.152   5.887
  141    H    PHE  26           HN       PHE  26  28.846   5.473   8.383
  142    HA   PHE  26           HA       PHE  26  29.665   7.534   6.654
  143    HB2  PHE  26           HB2      PHE  26  30.563   7.265   8.937
  144    HB3  PHE  26           HB1      PHE  26  31.388   5.789   8.439
  145    HD1  PHE  26           HD1      PHE  26  31.136   9.443   7.702
  146    HD2  PHE  26           HD2      PHE  26  33.510   5.876   7.403
  147    HE1  PHE  26           HE1      PHE  26  33.050  10.786   6.878
  148    HE2  PHE  26           HE2      PHE  26  35.425   7.220   6.579
  149    HZ   PHE  26           HZ       PHE  26  35.195   9.674   6.316
  150    H    THR  27           HN       THR  27  30.571   4.093   6.737
  151    HA   THR  27           HA       THR  27  32.478   4.152   4.660
  152    HB   THR  27           HB       THR  27  32.054   1.740   4.487
  153    HG1  THR  27           HG1      THR  27  30.310   0.845   5.391
  154   HG21  THR  27          HG21      THR  27  32.156   1.293   7.077
  155   HG22  THR  27          HG22      THR  27  32.250   3.052   7.175
  156   HG23  THR  27          HG23      THR  27  33.475   2.150   6.280
  157    H    GLY  28           HN       GLY  28  29.766   2.129   3.955
  158    HA2  GLY  28           HA2      GLY  28  29.441   2.224   1.391
  159    HA3  GLY  28           HA1      GLY  28  28.011   2.512   2.375
  160    H    VAL  29           HN       VAL  29  28.201   5.012   3.284
  161    HA   VAL  29           HA       VAL  29  27.693   6.623   0.998
  162    HB   VAL  29           HB       VAL  29  27.928   7.150   3.944
  163   HG11  VAL  29          HG11      VAL  29  28.277   9.047   1.770
  164   HG12  VAL  29          HG12      VAL  29  28.465   9.285   3.508
  165   HG13  VAL  29          HG13      VAL  29  26.874   9.444   2.763
  166   HG21  VAL  29          HG21      VAL  29  25.794   6.889   1.873
  167   HG22  VAL  29          HG22      VAL  29  25.512   8.031   3.186
  168   HG23  VAL  29          HG23      VAL  29  25.807   6.330   3.546
  169    H    DBU  30           HN       DHB  30  30.362   6.616   3.359
  170    HB   DBU  30           HB       DHB  30  33.438   9.031   2.848
  171    HG1  DBU  30           HG1      DHB  30  30.749   9.852   3.779
  172    HG2  DBU  30           HG2      DHB  30  32.308  10.435   4.360
  173    HG3  DBU  30           HG3      DHB  30  31.614   8.958   5.029
  174    H    VAL  31           HN       VAL  31  32.060   5.163   2.124
  175    HA   VAL  31           HA       VAL  31  34.361   4.986   0.515
  176    HB   VAL  31           HB       VAL  31  33.921   2.686   0.416
  177   HG11  VAL  31          HG11      VAL  31  34.100   2.514   2.634
  178   HG12  VAL  31          HG12      VAL  31  32.346   2.636   2.762
  179   HG13  VAL  31          HG13      VAL  31  33.340   4.092   2.844
  180   HG21  VAL  31          HG21      VAL  31  31.009   3.470   0.675
  181   HG22  VAL  31          HG22      VAL  31  31.566   1.806   0.849
  182   HG23  VAL  31          HG23      VAL  31  31.790   2.654  -0.681
  183    H    VAL  32           HN       VAL  32  30.895   5.027  -0.271
  184    HA   VAL  32           HA       VAL  32  31.163   4.500  -3.030
  185    HB   VAL  32           HB       VAL  32  29.051   5.639  -1.265
  186   HG11  VAL  32          HG11      VAL  32  28.972   5.842  -4.287
  187   HG12  VAL  32          HG12      VAL  32  29.108   7.205  -3.176
  188   HG13  VAL  32          HG13      VAL  32  27.646   6.220  -3.186
  189   HG21  VAL  32          HG21      VAL  32  28.614   3.708  -3.503
  190   HG22  VAL  32          HG22      VAL  32  27.909   3.726  -1.886
  191   HG23  VAL  32          HG23      VAL  32  29.562   3.159  -2.121
  192    H    VAL  33           HN       VAL  33  30.947   7.573  -1.243
  193    HA   VAL  33           HA       VAL  33  31.055   9.269  -3.480
  194    HB   VAL  33           HB       VAL  33  31.883  10.975  -1.829
  195   HG11  VAL  33          HG11      VAL  33  29.689  11.235  -1.396
  196   HG12  VAL  33          HG12      VAL  33  29.757   9.921  -0.223
  197   HG13  VAL  33          HG13      VAL  33  29.402   9.575  -1.916
  198   HG21  VAL  33          HG21      VAL  33  31.674   8.656   0.112
  199   HG22  VAL  33          HG22      VAL  33  32.102  10.322   0.505
  200   HG23  VAL  33          HG23      VAL  33  33.195   9.337  -0.466
  201    H    DAL  34           HN       DAL  34  33.625   7.901  -1.464
  202    HA   DAL  34           HA       DAL  34  35.850   7.598  -1.901
  203    HB1  DAL  34           HB2      DAL  34  35.597  10.299  -3.219
  204    HB2  DAL  34           HB3      DAL  34  35.871  10.028  -1.504
  205    H    LEU  35           HN       LEU  35  34.831   5.897  -3.362
  206    HA   LEU  35           HA       LEU  35  36.303   5.729  -5.741
  207    HB2  LEU  35           HB2      LEU  35  35.424   3.772  -4.482
  208    HB3  LEU  35           HB1      LEU  35  33.792   4.218  -4.975
  209    HG   LEU  35           HG       LEU  35  34.394   3.957  -7.330
  210   HD11  LEU  35          HD11      LEU  35  37.046   4.127  -6.226
  211   HD12  LEU  35          HD12      LEU  35  36.560   4.170  -7.922
  212   HD13  LEU  35          HD13      LEU  35  36.897   2.625  -7.139
  213   HD21  LEU  35          HD21      LEU  35  33.580   1.928  -6.443
  214   HD22  LEU  35          HD22      LEU  35  35.013   1.685  -5.444
  215   HD23  LEU  35          HD23      LEU  35  35.106   1.454  -7.191
  216    H    LYS  36           HN       LYS  36  32.944   6.725  -5.114
  217    HA   LYS  36           HA       LYS  36  32.103   6.856  -7.791
  218    HB2  LYS  36           HB2      LYS  36  30.587   6.867  -5.819
  219    HB3  LYS  36           HB1      LYS  36  31.149   8.494  -5.433
  220    HG2  LYS  36           HG2      LYS  36  29.114   8.714  -6.669
  221    HG3  LYS  36           HG1      LYS  36  30.438   9.189  -7.731
  222    HD2  LYS  36           HD2      LYS  36  30.371   7.125  -8.920
  223    HD3  LYS  36           HD1      LYS  36  29.349   6.371  -7.696
  224    HE2  LYS  36           HE2      LYS  36  27.488   7.835  -8.293
  225    HE3  LYS  36           HE1      LYS  36  28.504   8.700  -9.443
  226    HZ1  LYS  36           HZ1      LYS  36  26.948   6.714 -10.170
  227    HZ2  LYS  36           HZ2      LYS  36  28.311   5.799  -9.730
  228    HZ3  LYS  36           HZ3      LYS  36  28.441   7.001 -10.924
  229    H    HIS  37           HN       HIS  37  33.772   9.140  -5.682
  230    HA   HIS  37           HA       HIS  37  33.997  10.985  -7.986
  231    HB2  HIS  37           HB2      HIS  37  33.892  11.643  -5.038
  232    HB3  HIS  37           HB1      HIS  37  34.188  12.813  -6.325
  233    HD2  HIS  37           HD2      HIS  37  31.201  11.226  -4.528
  234    HE1  HIS  37           HE1      HIS  37  29.666  12.927  -8.074
  235    HE2  HIS  37           HE2      HIS  37  29.043  11.897  -5.838
  236    H    CYS  38           HN       CYS  38  35.626  10.303  -4.864
  237    HA   CYS  38           HA       CYS  38  38.189  11.034  -6.057
  238    HB2  CYS  38           HB2      CYS  38  38.977  11.256  -3.894
  239    HB3  CYS  38           HB1      CYS  38  37.270  11.640  -3.668
  Start of MODEL   17
    1    H1   ABA   1           HT1      ABU   1   5.242 -17.900  -3.227
    2    H2   ABA   1           HT2      ABU   1   4.325 -16.990  -4.330
    3    H3   ABA   1           HT3      ABU   1   4.022 -16.867  -2.662
    4    HA   ABA   1           HA       ABU   1   5.231 -14.965  -3.035
    5    HB2  ABA   1           HB2      ABU   1   7.676 -16.584  -2.652
    6    HG1  ABA   1           HG1      ABU   1   5.129 -17.135  -1.180
    7    HG3  ABA   1           HG3      ABU   1   6.434 -18.240  -1.609
    8    HG2  ABA   1           HG2      ABU   1   6.635 -17.123  -0.260
    9    H    DBU   2           HN       DHB   2   6.654 -17.700  -4.818
   10    HB   DBU   2           HB       DHB   2   7.999 -17.563  -8.420
   11    HG1  DBU   2           HG1      DHB   2   7.101 -19.761  -6.949
   12    HG2  DBU   2           HG2      DHB   2   6.421 -19.334  -8.519
   13    HG3  DBU   2           HG3      DHB   2   5.632 -18.789  -7.040
   14    HA   PRO   3           HA       PRO   3  10.097 -13.860  -7.898
   15    HB2  PRO   3           HB2      PRO   3   8.540 -12.183  -9.416
   16    HB3  PRO   3           HB1      PRO   3   9.374 -13.596 -10.055
   17    HG2  PRO   3           HG2      PRO   3   6.545 -13.219  -9.307
   18    HG3  PRO   3           HG1      PRO   3   7.256 -14.114 -10.665
   19    HD2  PRO   3           HD2      PRO   3   6.356 -15.324  -8.449
   20    HD3  PRO   3           HD1      PRO   3   7.714 -15.958  -9.388
   21    H    VAL   4           HN       VAL   4   6.904 -13.317  -6.600
   22    HA   VAL   4           HA       VAL   4   7.175 -10.602  -5.843
   23    HB   VAL   4           HB       VAL   4   5.472 -12.859  -4.785
   24   HG11  VAL   4          HG11      VAL   4   5.258 -11.589  -2.915
   25   HG12  VAL   4          HG12      VAL   4   4.292 -10.522  -3.935
   26   HG13  VAL   4          HG13      VAL   4   6.003 -10.183  -3.676
   27   HG21  VAL   4          HG21      VAL   4   3.874 -12.083  -6.237
   28   HG22  VAL   4          HG22      VAL   4   5.281 -11.481  -7.112
   29   HG23  VAL   4          HG23      VAL   4   4.375 -10.403  -6.050
   30    H    CYS   5           HN       CYS   5   7.757 -13.626  -4.056
   31    HA   CYS   5           HA       CYS   5   8.635 -12.337  -1.669
   32    HB2  CYS   5           HB2      CYS   5   9.017 -15.147  -2.716
   33    HB3  CYS   5           HB1      CYS   5   9.552 -14.619  -1.120
   34    H    ALA   6           HN       ALA   6  10.320 -13.732  -4.459
   35    HA   ALA   6           HA       ALA   6  12.951 -13.411  -3.515
   36    HB1  ALA   6           HB1      ALA   6  12.424 -14.775  -5.477
   37    HB2  ALA   6           HB2      ALA   6  13.602 -13.532  -5.896
   38    HB3  ALA   6           HB3      ALA   6  11.911 -13.336  -6.358
   39    H    VAL   7           HN       VAL   7  10.932 -11.248  -5.517
   40    HA   VAL   7           HA       VAL   7  12.856  -9.199  -5.780
   41    HB   VAL   7           HB       VAL   7   9.840  -9.195  -5.959
   42   HG11  VAL   7          HG11      VAL   7  10.764  -6.973  -7.318
   43   HG12  VAL   7          HG12      VAL   7  11.758  -6.981  -5.861
   44   HG13  VAL   7          HG13      VAL   7  10.001  -6.952  -5.729
   45   HG21  VAL   7          HG21      VAL   7  11.170  -8.540  -8.384
   46   HG22  VAL   7          HG22      VAL   7  10.267 -10.010  -8.016
   47   HG23  VAL   7          HG23      VAL   7  12.002  -9.941  -7.707
   48    H    ALA   8           HN       ALA   8  10.180  -9.665  -3.482
   49    HA   ALA   8           HA       ALA   8  10.529  -7.250  -2.064
   50    HB1  ALA   8           HB1      ALA   8   8.496  -8.566  -1.832
   51    HB2  ALA   8           HB2      ALA   8   9.263  -8.395  -0.253
   52    HB3  ALA   8           HB3      ALA   8   9.410  -9.909  -1.146
   53    H    ALA   9           HN       ALA   9  11.981 -10.449  -1.698
   54    HA   ALA   9           HA       ALA   9  13.277 -10.007   0.770
   55    HB1  ALA   9           HB1      ALA   9  14.840 -11.837  -0.066
   56    HB2  ALA   9           HB2      ALA   9  13.887 -11.840  -1.550
   57    HB3  ALA   9           HB3      ALA   9  13.127 -12.251  -0.012
   58    H    DBU  10           HN       DHB  10  14.209  -9.296  -2.569
   59    HB   DBU  10           HB       DHB  10  17.677  -7.747  -3.526
   60    HG1  DBU  10           HG1      DHB  10  18.066 -10.139  -4.007
   61    HG2  DBU  10           HG2      DHB  10  16.726  -9.671  -5.054
   62    HG3  DBU  10           HG3      DHB  10  16.409 -10.537  -3.550
   63    H    ALA  11           HN       ALA  11  14.074  -6.480  -2.423
   64    HA   ALA  11           HA       ALA  11  15.443  -4.153  -1.618
   65    HB1  ALA  11           HB1      ALA  11  12.849  -4.805  -2.453
   66    HB2  ALA  11           HB2      ALA  11  13.474  -3.192  -2.106
   67    HB3  ALA  11           HB3      ALA  11  12.653  -4.110  -0.844
   68    H    ALA  12           HN       ALA  12  13.567  -6.532   0.224
   69    HA   ALA  12           HA       ALA  12  13.705  -5.180   2.718
   70    HB1  ALA  12           HB1      ALA  12  12.187  -6.791   3.088
   71    HB2  ALA  12           HB2      ALA  12  13.543  -7.899   3.299
   72    HB3  ALA  12           HB3      ALA  12  12.766  -7.746   1.723
   73    H    ALA  13           HN       ALA  13  15.814  -7.482   1.089
   74    HA   ALA  13           HA       ALA  13  17.488  -8.145   3.247
   75    HB1  ALA  13           HB1      ALA  13  18.252  -7.888   0.328
   76    HB2  ALA  13           HB2      ALA  13  17.491  -9.307   1.048
   77    HB3  ALA  13           HB3      ALA  13  19.108  -8.820   1.557
   78    H    ALA  14           HN       ALA  14  17.550  -5.433   0.979
   79    HA   ALA  14           HA       ALA  14  20.049  -4.354   1.668
   80    HB2  ALA  14           HB2      ALA  14  19.112  -3.382  -0.226
   81    HB3  ALA  14           HB3      ALA  14  17.524  -3.215   0.525
   82    H    DHA  15           HN       DHA  15  16.803  -3.659   2.978
   83    HB1  DHA  15           HB1      DHA  15  15.186  -2.006   4.450
   84    HB2  DHA  15           HB2      DHA  15  15.901  -1.653   6.123
   85    H    ALA  16           HN       ALA  16  18.615  -4.741   5.238
   86    HA   ALA  16           HA       ALA  16  19.962  -3.634   7.571
   87    HB1  ALA  16           HB1      ALA  16  21.140  -5.994   7.328
   88    HB2  ALA  16           HB2      ALA  16  19.750  -6.326   6.295
   89    HB3  ALA  16           HB3      ALA  16  19.506  -5.860   7.977
   90    H    ALA  17           HN       ALA  17  20.840  -4.854   4.341
   91    HA   ALA  17           HA       ALA  17  23.607  -4.037   4.681
   92    HB1  ALA  17           HB1      ALA  17  22.944  -4.617   1.949
   93    HB2  ALA  17           HB2      ALA  17  22.188  -5.824   2.990
   94    HB3  ALA  17           HB3      ALA  17  23.930  -5.562   3.064
   95    H    CYS  18           HN       CYS  18  21.348  -3.306   2.022
   96    HA   CYS  18           HA       CYS  18  22.645  -0.972   1.188
   97    HB2  CYS  18           HB2      CYS  18  20.752  -0.577  -0.161
   98    HB3  CYS  18           HB1      CYS  18  20.861  -2.329  -0.026
   99    H    GLY  19           HN       GLY  19  19.984  -1.443   3.435
  100    HA2  GLY  19           HA2      GLY  19  19.392   1.273   3.946
  101    HA3  GLY  19           HA1      GLY  19  19.051  -0.061   5.046
  102    H    TRP  20           HN       TRP  20  21.692  -0.978   5.479
  103    HA   TRP  20           HA       TRP  20  22.587   1.005   7.388
  104    HB2  TRP  20           HB2      TRP  20  23.589  -1.746   6.647
  105    HB3  TRP  20           HB1      TRP  20  24.327  -0.750   7.896
  106    HD1  TRP  20           HD1      TRP  20  20.576  -1.333   7.135
  107    HE1  TRP  20           HE1      TRP  20  19.450  -2.156   9.318
  108    HE3  TRP  20           HE3      TRP  20  24.634  -1.626  10.224
  109    HZ2  TRP  20           HZ2      TRP  20  20.143  -2.837  11.962
  110    HZ3  TRP  20           HZ3      TRP  20  24.360  -2.368  12.574
  111    HH2  TRP  20           HH2      TRP  20  22.107  -2.969  13.427
  112    H    VAL  21           HN       VAL  21  24.553  -0.884   5.084
  113    HA   VAL  21           HA       VAL  21  26.535  -0.315   4.057
  114    HB   VAL  21           HB       VAL  21  25.138   2.182   3.203
  115   HG11  VAL  21          HG11      VAL  21  26.066   1.357   0.987
  116   HG12  VAL  21          HG12      VAL  21  26.871   0.077   1.896
  117   HG13  VAL  21          HG13      VAL  21  27.282   1.765   2.199
  118   HG21  VAL  21          HG21      VAL  21  23.693   0.942   1.724
  119   HG22  VAL  21          HG22      VAL  21  23.465   0.284   3.344
  120   HG23  VAL  21          HG23      VAL  21  24.456  -0.583   2.173
  121    H    GLY  22           HN       GLY  22  25.939   0.931   6.810
  122    HA2  GLY  22           HA2      GLY  22  27.220   3.490   6.827
  123    HA3  GLY  22           HA1      GLY  22  26.870   2.490   8.234
  124    H    GLY  23           HN       GLY  23  28.485   0.618   6.025
  125    HA2  GLY  23           HA2      GLY  23  31.038   1.010   7.462
  126    HA3  GLY  23           HA1      GLY  23  30.546  -0.472   6.647
  127    H    GLY  24           HN       GLY  24  30.047  -0.059   4.198
  128    HA2  GLY  24           HA2      GLY  24  32.474   0.659   2.945
  129    HA3  GLY  24           HA1      GLY  24  30.946   0.361   2.122
  130    H    ILE  25           HN       ILE  25  29.402   2.394   3.353
  131    HA   ILE  25           HA       ILE  25  30.082   4.616   1.720
  132    HB   ILE  25           HB       ILE  25  27.782   3.813   2.764
  133   HG12  ILE  25          HG12      ILE  25  28.150   5.641   1.099
  134   HG13  ILE  25          HG11      ILE  25  26.881   6.029   2.263
  135   HG21  ILE  25          HG21      ILE  25  27.118   5.135   4.689
  136   HG22  ILE  25          HG22      ILE  25  28.673   5.968   4.700
  137   HG23  ILE  25          HG23      ILE  25  28.590   4.254   5.100
  138   HD11  ILE  25          HD11      ILE  25  29.702   7.084   2.142
  139   HD12  ILE  25          HD12      ILE  25  28.764   7.160   3.634
  140   HD13  ILE  25          HD13      ILE  25  28.192   7.993   2.188
  141    H    PHE  26           HN       PHE  26  30.375   3.984   5.188
  142    HA   PHE  26           HA       PHE  26  31.275   6.541   5.970
  143    HB2  PHE  26           HB2      PHE  26  30.517   4.816   7.571
  144    HB3  PHE  26           HB1      PHE  26  31.947   3.853   7.199
  145    HD1  PHE  26           HD1      PHE  26  30.868   7.198   8.463
  146    HD2  PHE  26           HD2      PHE  26  34.000   4.265   8.290
  147    HE1  PHE  26           HE1      PHE  26  32.177   8.499  10.119
  148    HE2  PHE  26           HE2      PHE  26  35.310   5.566   9.946
  149    HZ   PHE  26           HZ       PHE  26  34.399   7.683  10.861
  150    H    THR  27           HN       THR  27  33.062   3.631   4.965
  151    HA   THR  27           HA       THR  27  35.658   4.630   5.365
  152    HB   THR  27           HB       THR  27  34.814   2.722   3.173
  153    HG1  THR  27           HG1      THR  27  34.213   1.473   4.725
  154   HG21  THR  27          HG21      THR  27  37.040   2.746   2.808
  155   HG22  THR  27          HG22      THR  27  37.193   1.894   4.345
  156   HG23  THR  27          HG23      THR  27  37.346   3.650   4.291
  157    H    GLY  28           HN       GLY  28  33.580   4.708   2.474
  158    HA2  GLY  28           HA2      GLY  28  35.434   6.068   0.809
  159    HA3  GLY  28           HA1      GLY  28  33.694   5.978   0.553
  160    H    VAL  29           HN       VAL  29  32.814   7.199   2.934
  161    HA   VAL  29           HA       VAL  29  33.003   9.941   2.251
  162    HB   VAL  29           HB       VAL  29  31.886   8.454   4.622
  163   HG11  VAL  29          HG11      VAL  29  32.665  11.248   4.451
  164   HG12  VAL  29          HG12      VAL  29  32.049  10.340   5.831
  165   HG13  VAL  29          HG13      VAL  29  30.926  11.081   4.690
  166   HG21  VAL  29          HG21      VAL  29  30.798   8.568   2.274
  167   HG22  VAL  29          HG22      VAL  29  30.485  10.263   2.649
  168   HG23  VAL  29          HG23      VAL  29  29.790   8.993   3.657
  169    H    DBU  30           HN       DHB  30  34.457   8.005   4.865
  170    HB   DBU  30           HB       DHB  30  36.929   9.755   7.416
  171    HG1  DBU  30           HG1      DHB  30  33.920   9.915   7.298
  172    HG2  DBU  30           HG2      DHB  30  34.963  10.178   8.697
  173    HG3  DBU  30           HG3      DHB  30  34.568   8.535   8.187
  174    H    VAL  31           HN       VAL  31  36.604   7.645   3.725
  175    HA   VAL  31           HA       VAL  31  39.388   8.129   3.606
  176    HB   VAL  31           HB       VAL  31  37.423   6.803   1.748
  177   HG11  VAL  31          HG11      VAL  31  40.309   7.522   1.317
  178   HG12  VAL  31          HG12      VAL  31  38.970   7.561   0.170
  179   HG13  VAL  31          HG13      VAL  31  39.679   6.018   0.647
  180   HG21  VAL  31          HG21      VAL  31  38.149   4.865   2.719
  181   HG22  VAL  31          HG22      VAL  31  38.607   5.937   4.043
  182   HG23  VAL  31          HG23      VAL  31  39.812   5.438   2.855
  183    H    VAL  32           HN       VAL  32  36.669   9.297   1.633
  184    HA   VAL  32           HA       VAL  32  38.202  10.776  -0.209
  185    HB   VAL  32           HB       VAL  32  35.347  10.713   0.640
  186   HG11  VAL  32          HG11      VAL  32  36.611  12.990  -0.912
  187   HG12  VAL  32          HG12      VAL  32  35.761  13.110   0.627
  188   HG13  VAL  32          HG13      VAL  32  34.876  12.681  -0.837
  189   HG21  VAL  32          HG21      VAL  32  35.620   9.344  -1.184
  190   HG22  VAL  32          HG22      VAL  32  37.027  10.233  -1.768
  191   HG23  VAL  32          HG23      VAL  32  35.404  10.860  -2.060
  192    H    VAL  33           HN       VAL  33  36.641  11.735   2.838
  193    HA   VAL  33           HA       VAL  33  37.306  14.468   2.733
  194    HB   VAL  33           HB       VAL  33  37.041  14.348   5.240
  195   HG11  VAL  33          HG11      VAL  33  34.621  13.278   4.964
  196   HG12  VAL  33          HG12      VAL  33  35.042  13.353   3.252
  197   HG13  VAL  33          HG13      VAL  33  35.019  14.827   4.221
  198   HG21  VAL  33          HG21      VAL  33  36.566  11.419   4.613
  199   HG22  VAL  33          HG22      VAL  33  36.279  12.188   6.173
  200   HG23  VAL  33          HG23      VAL  33  37.920  12.066   5.539
  201    H    DAL  34           HN       DAL  34  39.051  11.672   4.057
  202    HA   DAL  34           HA       DAL  34  41.290  11.407   4.491
  203    HB1  DAL  34           HB2      DAL  34  41.002  14.194   5.608
  204    HB2  DAL  34           HB3      DAL  34  40.639  12.709   6.475
  205    H    LEU  35           HN       LEU  35  41.348  11.512   2.040
  206    HA   LEU  35           HA       LEU  35  43.619  12.941   1.205
  207    HB2  LEU  35           HB2      LEU  35  42.771  10.840   0.148
  208    HB3  LEU  35           HB1      LEU  35  41.426  11.765  -0.521
  209    HG   LEU  35           HG       LEU  35  42.965  13.201  -1.750
  210   HD11  LEU  35          HD11      LEU  35  45.437  11.889  -1.543
  211   HD12  LEU  35          HD12      LEU  35  44.854  12.015   0.119
  212   HD13  LEU  35          HD13      LEU  35  45.031  13.469  -0.866
  213   HD21  LEU  35          HD21      LEU  35  44.291  10.926  -2.750
  214   HD22  LEU  35          HD22      LEU  35  42.768  11.600  -3.331
  215   HD23  LEU  35          HD23      LEU  35  42.761  10.328  -2.110
  216    H    LYS  36           HN       LYS  36  40.146  13.604   0.869
  217    HA   LYS  36           HA       LYS  36  40.329  15.800  -0.872
  218    HB2  LYS  36           HB2      LYS  36  38.238  14.576  -0.397
  219    HB3  LYS  36           HB1      LYS  36  38.235  15.249   1.234
  220    HG2  LYS  36           HG2      LYS  36  38.035  17.471   0.411
  221    HG3  LYS  36           HG1      LYS  36  38.333  16.959  -1.249
  222    HD2  LYS  36           HD2      LYS  36  36.250  15.656  -1.220
  223    HD3  LYS  36           HD1      LYS  36  35.945  16.168   0.438
  224    HE2  LYS  36           HE2      LYS  36  34.649  17.580  -1.078
  225    HE3  LYS  36           HE1      LYS  36  35.931  18.547  -0.348
  226    HZ1  LYS  36           HZ1      LYS  36  36.597  17.191  -2.830
  227    HZ2  LYS  36           HZ2      LYS  36  37.021  18.745  -2.290
  228    HZ3  LYS  36           HZ3      LYS  36  35.483  18.463  -2.957
  229    H    HIS  37           HN       HIS  37  40.638  15.500   2.614
  230    HA   HIS  37           HA       HIS  37  41.288  18.381   2.736
  231    HB2  HIS  37           HB2      HIS  37  39.889  16.684   4.813
  232    HB3  HIS  37           HB1      HIS  37  40.414  18.351   5.061
  233    HD2  HIS  37           HD2      HIS  37  37.334  16.519   3.774
  234    HE1  HIS  37           HE1      HIS  37  37.076  20.425   2.194
  235    HE2  HIS  37           HE2      HIS  37  35.805  18.259   2.568
  236    H    CYS  38           HN       CYS  38  41.663  15.407   4.704
  237    HA   CYS  38           HA       CYS  38  44.265  16.353   5.622
  238    HB2  CYS  38           HB2      CYS  38  44.081  14.789   7.316
  239    HB3  CYS  38           HB1      CYS  38  42.382  15.145   7.009
  Start of MODEL   18
    1    H1   ABA   1           HT1      ABU   1   4.241 -13.245  -8.223
    2    H2   ABA   1           HT2      ABU   1   3.766 -14.081  -6.822
    3    H3   ABA   1           HT3      ABU   1   4.991 -14.712  -7.817
    4    HA   ABA   1           HA       ABU   1   5.164 -12.179  -6.277
    5    HB2  ABA   1           HB2      ABU   1   6.986 -14.446  -5.711
    6    HG1  ABA   1           HG1      ABU   1   4.033 -14.527  -5.020
    7    HG3  ABA   1           HG3      ABU   1   4.942 -15.731  -5.933
    8    HG2  ABA   1           HG2      ABU   1   5.256 -15.508  -4.211
    9    H    DBU   2           HN       DHB   2   6.738 -14.619  -8.337
   10    HB   DBU   2           HB       DHB   2   9.364 -13.864 -11.048
   11    HG1  DBU   2           HG1      DHB   2   7.907 -15.357 -12.133
   12    HG2  DBU   2           HG2      DHB   2   6.580 -14.411 -11.459
   13    HG3  DBU   2           HG3      DHB   2   7.198 -15.812 -10.584
   14    HA   PRO   3           HA       PRO   3  11.758 -11.354  -8.527
   15    HB2  PRO   3           HB2      PRO   3  11.341  -8.942  -9.773
   16    HB3  PRO   3           HB1      PRO   3  12.064 -10.338 -10.558
   17    HG2  PRO   3           HG2      PRO   3   9.304  -9.291 -10.690
   18    HG3  PRO   3           HG1      PRO   3  10.329  -9.965 -11.971
   19    HD2  PRO   3           HD2      PRO   3   8.392 -11.385 -10.795
   20    HD3  PRO   3           HD1      PRO   3   9.882 -12.134 -11.375
   21    H    VAL   4           HN       VAL   4   8.483 -10.150  -8.280
   22    HA   VAL   4           HA       VAL   4   8.928  -7.955  -6.557
   23    HB   VAL   4           HB       VAL   4   6.544  -9.769  -6.954
   24   HG11  VAL   4          HG11      VAL   4   5.821  -7.264  -5.799
   25   HG12  VAL   4          HG12      VAL   4   7.086  -7.965  -4.791
   26   HG13  VAL   4          HG13      VAL   4   5.610  -8.875  -5.112
   27   HG21  VAL   4          HG21      VAL   4   7.122  -8.352  -8.863
   28   HG22  VAL   4          HG22      VAL   4   7.217  -6.937  -7.815
   29   HG23  VAL   4          HG23      VAL   4   5.664  -7.727  -8.093
   30    H    CYS   5           HN       CYS   5   8.153 -11.364  -5.876
   31    HA   CYS   5           HA       CYS   5   8.197 -11.072  -3.044
   32    HB2  CYS   5           HB2      CYS   5   8.470 -13.488  -4.838
   33    HB3  CYS   5           HB1      CYS   5   8.398 -13.584  -3.078
   34    H    ALA   6           HN       ALA   6  10.602 -12.087  -5.434
   35    HA   ALA   6           HA       ALA   6  12.627 -12.825  -3.604
   36    HB1  ALA   6           HB1      ALA   6  12.772 -11.852  -6.463
   37    HB2  ALA   6           HB2      ALA   6  12.802 -13.522  -5.897
   38    HB3  ALA   6           HB3      ALA   6  14.164 -12.453  -5.563
   39    H    VAL   7           HN       VAL   7  11.790  -9.732  -5.108
   40    HA   VAL   7           HA       VAL   7  14.057  -8.287  -4.259
   41    HB   VAL   7           HB       VAL   7  11.243  -7.443  -4.955
   42   HG11  VAL   7          HG11      VAL   7  13.680  -5.727  -4.413
   43   HG12  VAL   7          HG12      VAL   7  12.244  -5.822  -3.396
   44   HG13  VAL   7          HG13      VAL   7  12.130  -5.145  -5.020
   45   HG21  VAL   7          HG21      VAL   7  13.568  -6.603  -6.565
   46   HG22  VAL   7          HG22      VAL   7  12.022  -7.272  -7.088
   47   HG23  VAL   7          HG23      VAL   7  13.307  -8.347  -6.534
   48    H    ALA   8           HN       ALA   8  10.852  -8.753  -2.793
   49    HA   ALA   8           HA       ALA   8  11.264  -7.075  -0.557
   50    HB1  ALA   8           HB1      ALA   8   9.069  -7.554  -0.478
   51    HB2  ALA   8           HB2      ALA   8   9.527  -9.068   0.300
   52    HB3  ALA   8           HB3      ALA   8   9.279  -9.012  -1.446
   53    H    ALA   9           HN       ALA   9  11.948 -10.490  -1.137
   54    HA   ALA   9           HA       ALA   9  12.610 -11.202   1.516
   55    HB1  ALA   9           HB1      ALA   9  13.755 -13.119   0.506
   56    HB2  ALA   9           HB2      ALA   9  13.679 -12.346  -1.076
   57    HB3  ALA   9           HB3      ALA   9  12.195 -12.853  -0.271
   58    H    DBU  10           HN       DHB  10  14.522  -9.841  -1.142
   59    HB   DBU  10           HB       DHB  10  18.406  -9.219  -0.632
   60    HG1  DBU  10           HG1      DHB  10  17.573 -11.911  -0.955
   61    HG2  DBU  10           HG2      DHB  10  18.599 -11.052  -2.104
   62    HG3  DBU  10           HG3      DHB  10  16.852 -11.092  -2.340
   63    H    ALA  11           HN       ALA  11  14.438  -7.643  -0.126
   64    HA   ALA  11           HA       ALA  11  15.810  -5.410   0.920
   65    HB1  ALA  11           HB1      ALA  11  13.155  -5.092   1.681
   66    HB2  ALA  11           HB2      ALA  11  13.065  -6.120   0.250
   67    HB3  ALA  11           HB3      ALA  11  13.873  -4.554   0.163
   68    H    ALA  12           HN       ALA  12  13.821  -7.905   2.489
   69    HA   ALA  12           HA       ALA  12  13.903  -6.811   5.093
   70    HB1  ALA  12           HB1      ALA  12  13.773  -9.763   4.506
   71    HB2  ALA  12           HB2      ALA  12  12.407  -8.694   4.180
   72    HB3  ALA  12           HB3      ALA  12  13.016  -8.871   5.826
   73    H    ALA  13           HN       ALA  13  15.967  -9.195   3.458
   74    HA   ALA  13           HA       ALA  13  17.646  -9.734   5.677
   75    HB1  ALA  13           HB1      ALA  13  17.372 -10.822   3.212
   76    HB2  ALA  13           HB2      ALA  13  18.775 -11.095   4.245
   77    HB3  ALA  13           HB3      ALA  13  18.841  -9.874   2.973
   78    H    ALA  14           HN       ALA  14  17.752  -7.319   3.106
   79    HA   ALA  14           HA       ALA  14  20.348  -6.346   3.580
   80    HB2  ALA  14           HB2      ALA  14  19.469  -5.531   1.604
   81    HB3  ALA  14           HB3      ALA  14  17.880  -5.233   2.311
   82    H    DHA  15           HN       DHA  15  17.201  -5.413   4.953
   83    HB1  DHA  15           HB1      DHA  15  15.643  -3.600   6.287
   84    HB2  DHA  15           HB2      DHA  15  16.446  -3.023   7.855
   85    H    ALA  16           HN       ALA  16  19.083  -6.195   7.280
   86    HA   ALA  16           HA       ALA  16  20.609  -4.744   9.292
   87    HB1  ALA  16           HB1      ALA  16  19.802  -7.431   8.935
   88    HB2  ALA  16           HB2      ALA  16  20.744  -6.755  10.265
   89    HB3  ALA  16           HB3      ALA  16  21.564  -7.416   8.850
   90    H    ALA  17           HN       ALA  17  21.263  -6.593   6.309
   91    HA   ALA  17           HA       ALA  17  24.055  -5.878   6.316
   92    HB1  ALA  17           HB1      ALA  17  23.899  -6.825   3.922
   93    HB2  ALA  17           HB2      ALA  17  22.237  -7.245   4.338
   94    HB3  ALA  17           HB3      ALA  17  23.577  -7.931   5.258
   95    H    CYS  18           HN       CYS  18  21.659  -5.265   3.750
   96    HA   CYS  18           HA       CYS  18  23.067  -3.128   2.598
   97    HB2  CYS  18           HB2      CYS  18  21.124  -2.760   1.286
   98    HB3  CYS  18           HB1      CYS  18  21.185  -4.495   1.580
   99    H    GLY  19           HN       GLY  19  20.357  -3.162   4.861
  100    HA2  GLY  19           HA2      GLY  19  19.916  -0.419   5.091
  101    HA3  GLY  19           HA1      GLY  19  19.612  -1.586   6.376
  102    H    TRP  20           HN       TRP  20  22.198  -2.499   6.885
  103    HA   TRP  20           HA       TRP  20  23.208  -0.447   8.565
  104    HB2  TRP  20           HB2      TRP  20  24.227  -3.137   7.703
  105    HB3  TRP  20           HB1      TRP  20  25.237  -2.067   8.667
  106    HD1  TRP  20           HD1      TRP  20  21.429  -2.540   8.957
  107    HE1  TRP  20           HE1      TRP  20  20.899  -3.329  11.366
  108    HE3  TRP  20           HE3      TRP  20  26.158  -3.070  10.825
  109    HZ2  TRP  20           HZ2      TRP  20  22.249  -4.071  13.721
  110    HZ3  TRP  20           HZ3      TRP  20  26.493  -3.822  13.166
  111    HH2  TRP  20           HH2      TRP  20  24.528  -4.318  14.600
  112    H    VAL  21           HN       VAL  21  24.148  -1.627   5.378
  113    HA   VAL  21           HA       VAL  21  26.252   0.425   5.250
  114    HB   VAL  21           HB       VAL  21  25.680  -1.995   3.526
  115   HG11  VAL  21          HG11      VAL  21  26.990   0.422   2.857
  116   HG12  VAL  21          HG12      VAL  21  26.970  -1.082   1.935
  117   HG13  VAL  21          HG13      VAL  21  28.252  -0.783   3.109
  118   HG21  VAL  21          HG21      VAL  21  26.954  -1.802   5.975
  119   HG22  VAL  21          HG22      VAL  21  28.292  -1.672   4.834
  120   HG23  VAL  21          HG23      VAL  21  27.228  -3.077   4.788
  121    H    GLY  22           HN       GLY  22  24.918   2.229   4.902
  122    HA2  GLY  22           HA2      GLY  22  23.190   2.231   2.530
  123    HA3  GLY  22           HA1      GLY  22  23.264   3.488   3.762
  124    H    GLY  23           HN       GLY  23  26.333   2.440   2.893
  125    HA2  GLY  23           HA2      GLY  23  27.779   3.158   1.126
  126    HA3  GLY  23           HA1      GLY  23  26.632   4.440   0.748
  127    H    GLY  24           HN       GLY  24  26.669   4.532   3.962
  128    HA2  GLY  24           HA2      GLY  24  28.187   6.911   4.151
  129    HA3  GLY  24           HA1      GLY  24  27.583   5.969   5.511
  130    H    ILE  25           HN       ILE  25  28.947   3.529   4.807
  131    HA   ILE  25           HA       ILE  25  31.373   3.897   6.173
  132    HB   ILE  25           HB       ILE  25  30.467   1.739   6.256
  133   HG12  ILE  25          HG12      ILE  25  32.196   0.311   5.346
  134   HG13  ILE  25          HG11      ILE  25  32.650   1.543   4.167
  135   HG21  ILE  25          HG21      ILE  25  30.568   0.958   3.459
  136   HG22  ILE  25          HG22      ILE  25  29.486   2.329   3.711
  137   HG23  ILE  25          HG23      ILE  25  29.237   0.832   4.607
  138   HD11  ILE  25          HD11      ILE  25  32.671   2.626   6.861
  139   HD12  ILE  25          HD12      ILE  25  33.965   2.596   5.663
  140   HD13  ILE  25          HD13      ILE  25  33.726   1.218   6.737
  141    H    PHE  26           HN       PHE  26  31.043   2.803   2.807
  142    HA   PHE  26           HA       PHE  26  33.704   3.336   2.084
  143    HB2  PHE  26           HB2      PHE  26  32.237   1.855   0.781
  144    HB3  PHE  26           HB1      PHE  26  31.247   3.240   0.317
  145    HD1  PHE  26           HD1      PHE  26  34.753   1.942   0.194
  146    HD2  PHE  26           HD2      PHE  26  31.815   4.535  -1.563
  147    HE1  PHE  26           HE1      PHE  26  36.298   2.419  -1.686
  148    HE2  PHE  26           HE2      PHE  26  33.360   5.013  -3.442
  149    HZ   PHE  26           HZ       PHE  26  35.601   3.955  -3.505
  150    H    THR  27           HN       THR  27  30.751   5.272   1.662
  151    HA   THR  27           HA       THR  27  31.958   7.424   0.293
  152    HB   THR  27           HB       THR  27  29.524   7.403   2.093
  153    HG1  THR  27           HG1      THR  27  28.907   6.213   0.461
  154   HG21  THR  27          HG21      THR  27  28.928   9.425   0.666
  155   HG22  THR  27          HG22      THR  27  30.607   9.430   0.128
  156   HG23  THR  27          HG23      THR  27  30.227   9.674   1.833
  157    H    GLY  28           HN       GLY  28  31.325   6.891   3.752
  158    HA2  GLY  28           HA2      GLY  28  32.350   9.373   4.651
  159    HA3  GLY  28           HA1      GLY  28  32.151   7.928   5.634
  160    H    VAL  29           HN       VAL  29  33.841   6.148   4.379
  161    HA   VAL  29           HA       VAL  29  36.362   6.898   5.417
  162    HB   VAL  29           HB       VAL  29  35.265   4.540   4.910
  163   HG11  VAL  29          HG11      VAL  29  36.370   3.517   2.921
  164   HG12  VAL  29          HG12      VAL  29  36.939   5.119   2.451
  165   HG13  VAL  29          HG13      VAL  29  35.211   4.773   2.486
  166   HG21  VAL  29          HG21      VAL  29  38.238   4.935   4.529
  167   HG22  VAL  29          HG22      VAL  29  37.417   3.571   5.288
  168   HG23  VAL  29          HG23      VAL  29  37.443   5.142   6.089
  169    H    DBU  30           HN       DHB  30  35.033   6.801   2.141
  170    HB   DBU  30           HB       DHB  30  37.236   7.759  -0.979
  171    HG1  DBU  30           HG1      DHB  30  37.842   5.288  -0.399
  172    HG2  DBU  30           HG2      DHB  30  36.356   5.457  -1.334
  173    HG3  DBU  30           HG3      DHB  30  36.277   5.192   0.407
  174    H    VAL  31           HN       VAL  31  34.656   9.360   1.896
  175    HA   VAL  31           HA       VAL  31  35.584  11.812   0.847
  176    HB   VAL  31           HB       VAL  31  33.253  11.049   1.885
  177   HG11  VAL  31          HG11      VAL  31  32.885  11.940   4.096
  178   HG12  VAL  31          HG12      VAL  31  34.509  12.625   4.148
  179   HG13  VAL  31          HG13      VAL  31  34.289  10.877   4.184
  180   HG21  VAL  31          HG21      VAL  31  32.918  13.051   0.907
  181   HG22  VAL  31          HG22      VAL  31  34.553  13.588   1.292
  182   HG23  VAL  31          HG23      VAL  31  33.263  13.772   2.479
  183    H    VAL  32           HN       VAL  32  35.954  10.295   4.036
  184    HA   VAL  32           HA       VAL  32  37.294  12.430   5.300
  185    HB   VAL  32           HB       VAL  32  37.328   9.441   5.777
  186   HG11  VAL  32          HG11      VAL  32  39.019   9.747   7.216
  187   HG12  VAL  32          HG12      VAL  32  38.054  10.935   8.091
  188   HG13  VAL  32          HG13      VAL  32  39.100  11.450   6.769
  189   HG21  VAL  32          HG21      VAL  32  36.003  11.712   7.293
  190   HG22  VAL  32          HG22      VAL  32  35.816   9.986   7.605
  191   HG23  VAL  32          HG23      VAL  32  35.177  10.688   6.119
  192    H    VAL  33           HN       VAL  33  38.537   9.567   3.569
  193    HA   VAL  33           HA       VAL  33  41.268  10.122   4.000
  194    HB   VAL  33           HB       VAL  33  41.650   8.650   2.041
  195   HG11  VAL  33          HG11      VAL  33  39.920   6.805   3.047
  196   HG12  VAL  33          HG12      VAL  33  39.927   7.990   4.354
  197   HG13  VAL  33          HG13      VAL  33  41.438   7.247   3.830
  198   HG21  VAL  33          HG21      VAL  33  38.629   8.638   1.852
  199   HG22  VAL  33          HG22      VAL  33  39.741   7.705   0.853
  200   HG23  VAL  33          HG23      VAL  33  39.699   9.463   0.720
  201    H    DAL  34           HN       DAL  34  39.042  11.030   1.398
  202    HA   DAL  34           HA       DAL  34  39.199  12.652  -0.221
  203    HB1  DAL  34           HB2      DAL  34  42.144  12.643  -0.016
  204    HB2  DAL  34           HB3      DAL  34  41.341  11.223  -0.652
  205    H    LEU  35           HN       LEU  35  38.668  13.496   2.265
  206    HA   LEU  35           HA       LEU  35  39.356  16.222   2.227
  207    HB2  LEU  35           HB2      LEU  35  37.962  14.367   4.096
  208    HB3  LEU  35           HB1      LEU  35  38.482  15.915   4.742
  209    HG   LEU  35           HG       LEU  35  36.236  16.199   3.908
  210   HD11  LEU  35          HD11      LEU  35  36.564  18.045   2.503
  211   HD12  LEU  35          HD12      LEU  35  37.907  17.280   1.653
  212   HD13  LEU  35          HD13      LEU  35  38.133  17.888   3.293
  213   HD21  LEU  35          HD21      LEU  35  37.325  14.660   1.574
  214   HD22  LEU  35          HD22      LEU  35  36.010  15.801   1.298
  215   HD23  LEU  35          HD23      LEU  35  35.794  14.462   2.426
  216    H    LYS  36           HN       LYS  36  40.578  13.502   4.147
  217    HA   LYS  36           HA       LYS  36  42.326  15.022   5.774
  218    HB2  LYS  36           HB2      LYS  36  42.310  12.117   4.997
  219    HB3  LYS  36           HB1      LYS  36  43.502  12.808   6.100
  220    HG2  LYS  36           HG2      LYS  36  41.504  13.742   7.414
  221    HG3  LYS  36           HG1      LYS  36  40.510  12.645   6.460
  222    HD2  LYS  36           HD2      LYS  36  42.921  11.771   8.047
  223    HD3  LYS  36           HD1      LYS  36  41.269  11.688   8.656
  224    HE2  LYS  36           HE2      LYS  36  40.696  10.316   6.597
  225    HE3  LYS  36           HE1      LYS  36  42.426  10.231   6.269
  226    HZ1  LYS  36           HZ1      LYS  36  42.022   9.596   8.957
  227    HZ2  LYS  36           HZ2      LYS  36  42.581   8.584   7.713
  228    HZ3  LYS  36           HZ3      LYS  36  40.919   8.681   8.050
  229    H    HIS  37           HN       HIS  37  42.738  13.391   2.661
  230    HA   HIS  37           HA       HIS  37  45.407  14.660   2.457
  231    HB2  HIS  37           HB2      HIS  37  44.441  12.145   1.077
  232    HB3  HIS  37           HB1      HIS  37  46.072  12.821   1.018
  233    HD2  HIS  37           HD2      HIS  37  43.810  10.759   3.464
  234    HE1  HIS  37           HE1      HIS  37  47.597  11.217   5.280
  235    HE2  HIS  37           HE2      HIS  37  45.349  10.047   5.452
  236    H    CYS  38           HN       CYS  38  43.678  13.067  -0.132
  237    HA   CYS  38           HA       CYS  38  44.101  15.088  -2.010
  238    HB2  CYS  38           HB2      CYS  38  42.882  13.764  -3.472
  239    HB3  CYS  38           HB1      CYS  38  43.363  12.576  -2.259
  Start of MODEL   19
    1    H1   ABA   1           HT1      ABU   1  14.165 -12.419 -11.295
    2    H2   ABA   1           HT2      ABU   1  14.122 -13.680 -10.156
    3    H3   ABA   1           HT3      ABU   1  15.605 -13.177 -10.816
    4    HA   ABA   1           HA       ABU   1  13.850 -11.645  -8.978
    5    HB2  ABA   1           HB2      ABU   1  16.714 -12.067  -8.396
    6    HG1  ABA   1           HG1      ABU   1  14.762 -14.390  -8.318
    7    HG3  ABA   1           HG3      ABU   1  16.133 -14.250  -9.419
    8    HG2  ABA   1           HG2      ABU   1  16.409 -14.405  -7.684
    9    H    DBU   2           HN       DHB   2  16.964 -11.634 -10.752
   10    HB   DBU   2           HB       DHB   2  18.357  -8.606 -12.706
   11    HG1  DBU   2           HG1      DHB   2  17.913 -10.227 -14.447
   12    HG2  DBU   2           HG2      DHB   2  17.132 -11.325 -13.309
   13    HG3  DBU   2           HG3      DHB   2  18.889 -11.183 -13.332
   14    HA   PRO   3           HA       PRO   3  17.742  -5.847  -9.477
   15    HB2  PRO   3           HB2      PRO   3  15.662  -4.339 -10.438
   16    HB3  PRO   3           HB1      PRO   3  17.222  -4.467 -11.228
   17    HG2  PRO   3           HG2      PRO   3  14.659  -5.816 -11.825
   18    HG3  PRO   3           HG1      PRO   3  15.885  -5.170 -12.932
   19    HD2  PRO   3           HD2      PRO   3  15.676  -7.789 -12.379
   20    HD3  PRO   3           HD1      PRO   3  17.226  -7.032 -12.744
   21    H    VAL   4           HN       VAL   4  14.634  -7.451  -9.837
   22    HA   VAL   4           HA       VAL   4  13.239  -6.210  -7.726
   23    HB   VAL   4           HB       VAL   4  12.996  -8.982  -8.913
   24   HG11  VAL   4          HG11      VAL   4  10.930  -7.563  -7.225
   25   HG12  VAL   4          HG12      VAL   4  12.111  -8.665  -6.514
   26   HG13  VAL   4          HG13      VAL   4  10.964  -9.257  -7.716
   27   HG21  VAL   4          HG21      VAL   4  12.152  -6.313  -9.691
   28   HG22  VAL   4          HG22      VAL   4  10.760  -7.373  -9.472
   29   HG23  VAL   4          HG23      VAL   4  12.042  -7.821 -10.598
   30    H    CYS   5           HN       CYS   5  15.199  -9.184  -7.791
   31    HA   CYS   5           HA       CYS   5  14.877  -9.780  -5.031
   32    HB2  CYS   5           HB2      CYS   5  16.939 -10.620  -7.072
   33    HB3  CYS   5           HB1      CYS   5  16.921 -11.226  -5.414
   34    H    ALA   6           HN       ALA   6  17.314  -7.987  -6.860
   35    HA   ALA   6           HA       ALA   6  19.148  -7.586  -4.755
   36    HB1  ALA   6           HB1      ALA   6  18.901  -6.799  -7.460
   37    HB2  ALA   6           HB2      ALA   6  20.302  -6.605  -6.405
   38    HB3  ALA   6           HB3      ALA   6  19.101  -5.319  -6.521
   39    H    VAL   7           HN       VAL   7  16.327  -5.716  -5.818
   40    HA   VAL   7           HA       VAL   7  16.703  -3.521  -4.074
   41    HB   VAL   7           HB       VAL   7  14.256  -4.645  -5.443
   42   HG11  VAL   7          HG11      VAL   7  14.573  -2.170  -3.727
   43   HG12  VAL   7          HG12      VAL   7  13.466  -3.515  -3.464
   44   HG13  VAL   7          HG13      VAL   7  13.222  -2.428  -4.829
   45   HG21  VAL   7          HG21      VAL   7  15.811  -3.670  -6.991
   46   HG22  VAL   7          HG22      VAL   7  16.123  -2.307  -5.920
   47   HG23  VAL   7          HG23      VAL   7  14.561  -2.456  -6.724
   48    H    ALA   8           HN       ALA   8  14.816  -6.518  -3.773
   49    HA   ALA   8           HA       ALA   8  13.704  -5.929  -1.234
   50    HB1  ALA   8           HB1      ALA   8  14.026  -8.737  -1.484
   51    HB2  ALA   8           HB2      ALA   8  13.676  -8.108  -3.093
   52    HB3  ALA   8           HB3      ALA   8  12.568  -7.785  -1.760
   53    H    ALA   9           HN       ALA   9  16.679  -7.552  -2.242
   54    HA   ALA   9           HA       ALA   9  17.467  -8.486   0.309
   55    HB1  ALA   9           HB1      ALA   9  18.453  -8.703  -2.258
   56    HB2  ALA   9           HB2      ALA   9  19.255  -9.292  -0.802
   57    HB3  ALA   9           HB3      ALA   9  19.668  -7.707  -1.457
   58    H    DBU  10           HN       DHB  10  17.979  -5.418  -1.383
   59    HB   DBU  10           HB       DHB  10  20.125  -2.511   0.151
   60    HG1  DBU  10           HG1      DHB  10  20.215  -4.378  -2.253
   61    HG2  DBU  10           HG2      DHB  10  21.650  -4.259  -1.234
   62    HG3  DBU  10           HG3      DHB  10  21.041  -2.831  -2.071
   63    H    ALA  11           HN       ALA  11  16.335  -3.813   0.157
   64    HA   ALA  11           HA       ALA  11  16.089  -2.276   2.490
   65    HB1  ALA  11           HB1      ALA  11  13.684  -3.569   2.346
   66    HB2  ALA  11           HB2      ALA  11  14.277  -3.750   0.695
   67    HB3  ALA  11           HB3      ALA  11  14.107  -2.142   1.399
   68    H    ALA  12           HN       ALA  12  15.689  -5.784   2.005
   69    HA   ALA  12           HA       ALA  12  15.071  -6.396   4.699
   70    HB1  ALA  12           HB1      ALA  12  16.143  -8.013   2.395
   71    HB2  ALA  12           HB2      ALA  12  14.538  -8.066   3.125
   72    HB3  ALA  12           HB3      ALA  12  15.923  -8.724   3.994
   73    H    ALA  13           HN       ALA  13  18.124  -6.202   2.927
   74    HA   ALA  13           HA       ALA  13  19.784  -7.257   4.965
   75    HB1  ALA  13           HB1      ALA  13  20.813  -7.179   2.878
   76    HB2  ALA  13           HB2      ALA  13  21.552  -5.805   3.702
   77    HB3  ALA  13           HB3      ALA  13  20.245  -5.542   2.547
   78    H    ALA  14           HN       ALA  14  18.612  -4.006   4.264
   79    HA   ALA  14           HA       ALA  14  20.259  -2.590   6.064
   80    HB2  ALA  14           HB2      ALA  14  18.395  -1.869   4.226
   81    HB3  ALA  14           HB3      ALA  14  17.494  -1.607   5.721
   82    H    DHA  15           HN       DHA  15  17.184  -4.292   6.494
   83    HB1  DHA  15           HB1      DHA  15  14.884  -4.724   7.932
   84    HB2  DHA  15           HB2      DHA  15  15.222  -4.881   9.749
   85    H    ALA  16           HN       ALA  16  19.120  -5.437   8.777
   86    HA   ALA  16           HA       ALA  16  19.541  -4.666  11.566
   87    HB1  ALA  16           HB1      ALA  16  21.172  -6.468   9.761
   88    HB2  ALA  16           HB2      ALA  16  19.944  -7.006  10.906
   89    HB3  ALA  16           HB3      ALA  16  21.420  -6.241  11.492
   90    H    ALA  17           HN       ALA  17  21.330  -4.524   8.479
   91    HA   ALA  17           HA       ALA  17  23.463  -2.945   9.424
   92    HB1  ALA  17           HB1      ALA  17  23.661  -2.314   6.936
   93    HB2  ALA  17           HB2      ALA  17  22.286  -3.389   6.683
   94    HB3  ALA  17           HB3      ALA  17  23.790  -4.025   7.348
   95    H    CYS  18           HN       CYS  18  20.490  -1.987   7.701
   96    HA   CYS  18           HA       CYS  18  20.973   0.778   7.686
   97    HB2  CYS  18           HB2      CYS  18  18.408  -0.818   7.656
   98    HB3  CYS  18           HB1      CYS  18  18.451   0.936   7.484
   99    H    GLY  19           HN       GLY  19  19.421  -1.312  10.079
  100    HA2  GLY  19           HA2      GLY  19  18.730   0.896  11.821
  101    HA3  GLY  19           HA1      GLY  19  18.542  -0.818  12.179
  102    H    TRP  20           HN       TRP  20  20.768  -1.990  12.357
  103    HA   TRP  20           HA       TRP  20  22.122  -0.962  14.596
  104    HB2  TRP  20           HB2      TRP  20  22.805  -3.133  12.619
  105    HB3  TRP  20           HB1      TRP  20  23.856  -2.741  13.973
  106    HD1  TRP  20           HD1      TRP  20  20.151  -3.673  13.349
  107    HE1  TRP  20           HE1      TRP  20  19.331  -5.041  15.392
  108    HE3  TRP  20           HE3      TRP  20  24.309  -3.497  16.314
  109    HZ2  TRP  20           HZ2      TRP  20  20.282  -5.934  17.907
  110    HZ3  TRP  20           HZ3      TRP  20  24.322  -4.616  18.527
  111    HH2  TRP  20           HH2      TRP  20  22.300  -5.830  19.308
  112    H    VAL  21           HN       VAL  21  22.888  -0.839  11.140
  113    HA   VAL  21           HA       VAL  21  24.842   0.009  10.129
  114    HB   VAL  21           HB       VAL  21  22.969   1.674  10.065
  115   HG11  VAL  21          HG11      VAL  21  24.341   3.395  12.035
  116   HG12  VAL  21          HG12      VAL  21  23.492   2.010  12.721
  117   HG13  VAL  21          HG13      VAL  21  22.617   3.183  11.737
  118   HG21  VAL  21          HG21      VAL  21  24.344   3.444   9.256
  119   HG22  VAL  21          HG22      VAL  21  25.266   1.964   8.991
  120   HG23  VAL  21          HG23      VAL  21  25.659   3.015  10.351
  121    H    GLY  22           HN       GLY  22  26.409  -1.065  11.558
  122    HA2  GLY  22           HA2      GLY  22  27.456   0.342  13.842
  123    HA3  GLY  22           HA1      GLY  22  28.146  -1.094  13.093
  124    H    GLY  23           HN       GLY  23  27.405   1.770  11.233
  125    HA2  GLY  23           HA2      GLY  23  28.879   3.550  10.643
  126    HA3  GLY  23           HA1      GLY  23  30.233   2.591  11.232
  127    H    GLY  24           HN       GLY  24  28.220   0.592   9.503
  128    HA2  GLY  24           HA2      GLY  24  30.068   0.166   7.407
  129    HA3  GLY  24           HA1      GLY  24  28.423  -0.459   7.465
  130    H    ILE  25           HN       ILE  25  27.162   2.149   7.659
  131    HA   ILE  25           HA       ILE  25  26.867   2.724   4.902
  132    HB   ILE  25           HB       ILE  25  25.307   3.173   7.010
  133   HG12  ILE  25          HG12      ILE  25  24.669   3.405   4.629
  134   HG13  ILE  25          HG11      ILE  25  24.027   4.737   5.593
  135   HG21  ILE  25          HG21      ILE  25  25.300   5.581   7.570
  136   HG22  ILE  25          HG22      ILE  25  26.727   5.815   6.559
  137   HG23  ILE  25          HG23      ILE  25  26.831   4.828   8.018
  138   HD11  ILE  25          HD11      ILE  25  26.322   5.889   4.923
  139   HD12  ILE  25          HD12      ILE  25  24.944   5.921   3.821
  140   HD13  ILE  25          HD13      ILE  25  26.241   4.751   3.579
  141    H    PHE  26           HN       PHE  26  28.620   4.338   7.519
  142    HA   PHE  26           HA       PHE  26  29.434   6.627   6.085
  143    HB2  PHE  26           HB2      PHE  26  29.634   6.465   8.525
  144    HB3  PHE  26           HB1      PHE  26  30.837   5.187   8.355
  145    HD1  PHE  26           HD1      PHE  26  30.140   8.739   7.413
  146    HD2  PHE  26           HD2      PHE  26  33.116   5.715   8.084
  147    HE1  PHE  26           HE1      PHE  26  31.926  10.446   7.185
  148    HE2  PHE  26           HE2      PHE  26  34.902   7.422   7.855
  149    HZ   PHE  26           HZ       PHE  26  34.306   9.787   7.405
  150    H    THR  27           HN       THR  27  30.989   3.454   6.518
  151    HA   THR  27           HA       THR  27  33.380   4.016   5.147
  152    HB   THR  27           HB       THR  27  31.861   1.405   5.402
  153    HG1  THR  27           HG1      THR  27  32.443   1.985   7.392
  154   HG21  THR  27          HG21      THR  27  34.720   1.155   5.169
  155   HG22  THR  27          HG22      THR  27  34.090   2.054   3.790
  156   HG23  THR  27          HG23      THR  27  33.464   0.447   4.154
  157    H    GLY  28           HN       GLY  28  30.320   2.627   3.956
  158    HA2  GLY  28           HA2      GLY  28  31.143   2.367   1.252
  159    HA3  GLY  28           HA1      GLY  28  29.477   2.409   1.822
  160    H    VAL  29           HN       VAL  29  29.483   4.962   3.030
  161    HA   VAL  29           HA       VAL  29  28.984   6.624   0.792
  162    HB   VAL  29           HB       VAL  29  29.179   7.138   3.756
  163   HG11  VAL  29          HG11      VAL  29  28.566   9.413   3.406
  164   HG12  VAL  29          HG12      VAL  29  28.298   9.152   1.681
  165   HG13  VAL  29          HG13      VAL  29  29.934   9.120   2.336
  166   HG21  VAL  29          HG21      VAL  29  26.805   7.534   1.945
  167   HG22  VAL  29          HG22      VAL  29  26.832   7.191   3.674
  168   HG23  VAL  29          HG23      VAL  29  27.222   5.919   2.516
  169    H    DBU  30           HN       DHB  30  31.639   6.523   3.170
  170    HB   DBU  30           HB       DHB  30  34.662   9.053   2.788
  171    HG1  DBU  30           HG1      DHB  30  32.122  10.070   3.638
  172    HG2  DBU  30           HG2      DHB  30  33.615  10.172   4.571
  173    HG3  DBU  30           HG3      DHB  30  32.522   8.805   4.802
  174    H    VAL  31           HN       VAL  31  33.125   5.201   1.738
  175    HA   VAL  31           HA       VAL  31  35.522   5.087   0.209
  176    HB   VAL  31           HB       VAL  31  33.244   3.154   0.634
  177   HG11  VAL  31          HG11      VAL  31  35.749   2.880  -1.049
  178   HG12  VAL  31          HG12      VAL  31  34.079   2.661  -1.568
  179   HG13  VAL  31          HG13      VAL  31  34.821   1.495  -0.474
  180   HG21  VAL  31          HG21      VAL  31  36.152   2.895   1.410
  181   HG22  VAL  31          HG22      VAL  31  34.762   2.038   2.070
  182   HG23  VAL  31          HG23      VAL  31  34.998   3.746   2.437
  183    H    VAL  32           HN       VAL  32  32.070   5.106  -0.638
  184    HA   VAL  32           HA       VAL  32  32.378   4.764  -3.410
  185    HB   VAL  32           HB       VAL  32  30.242   4.784  -1.843
  186   HG11  VAL  32          HG11      VAL  32  30.377   7.601  -2.959
  187   HG12  VAL  32          HG12      VAL  32  30.370   7.148  -1.255
  188   HG13  VAL  32          HG13      VAL  32  28.936   6.878  -2.243
  189   HG21  VAL  32          HG21      VAL  32  30.737   4.769  -4.616
  190   HG22  VAL  32          HG22      VAL  32  29.397   5.891  -4.381
  191   HG23  VAL  32          HG23      VAL  32  29.271   4.232  -3.798
  192    H    VAL  33           HN       VAL  33  32.122   7.719  -1.456
  193    HA   VAL  33           HA       VAL  33  32.271   9.556  -3.593
  194    HB   VAL  33           HB       VAL  33  31.550  10.449  -1.536
  195   HG11  VAL  33          HG11      VAL  33  33.911  10.018   0.113
  196   HG12  VAL  33          HG12      VAL  33  33.196   8.503  -0.416
  197   HG13  VAL  33          HG13      VAL  33  32.221   9.667   0.471
  198   HG21  VAL  33          HG21      VAL  33  34.368  11.377  -1.283
  199   HG22  VAL  33          HG22      VAL  33  32.879  12.322  -1.381
  200   HG23  VAL  33          HG23      VAL  33  33.582  11.628  -2.843
  201    H    DAL  34           HN       DAL  34  34.855   8.982  -1.198
  202    HA   DAL  34           HA       DAL  34  37.144   8.708  -1.524
  203    HB1  DAL  34           HB2      DAL  34  37.833  10.591  -3.326
  204    HB2  DAL  34           HB3      DAL  34  36.263  11.182  -2.784
  205    H    LEU  35           HN       LEU  35  35.525   7.011  -3.221
  206    HA   LEU  35           HA       LEU  35  37.452   6.128  -5.074
  207    HB2  LEU  35           HB2      LEU  35  35.615   4.721  -4.104
  208    HB3  LEU  35           HB1      LEU  35  34.472   5.594  -5.125
  209    HG   LEU  35           HG       LEU  35  35.730   4.886  -7.135
  210   HD11  LEU  35          HD11      LEU  35  37.830   4.096  -6.952
  211   HD12  LEU  35          HD12      LEU  35  37.271   2.773  -5.928
  212   HD13  LEU  35          HD13      LEU  35  37.725   4.318  -5.203
  213   HD21  LEU  35          HD21      LEU  35  35.333   2.319  -6.737
  214   HD22  LEU  35          HD22      LEU  35  33.955   3.418  -6.695
  215   HD23  LEU  35          HD23      LEU  35  34.673   2.846  -5.189
  216    H    LYS  36           HN       LYS  36  34.561   8.161  -5.416
  217    HA   LYS  36           HA       LYS  36  34.890   8.450  -8.274
  218    HB2  LYS  36           HB2      LYS  36  33.081   9.854  -6.316
  219    HB3  LYS  36           HB1      LYS  36  33.040  10.086  -8.065
  220    HG2  LYS  36           HG2      LYS  36  32.664   7.620  -8.328
  221    HG3  LYS  36           HG1      LYS  36  32.557   7.493  -6.570
  222    HD2  LYS  36           HD2      LYS  36  30.671   9.076  -6.567
  223    HD3  LYS  36           HD1      LYS  36  30.781   9.199  -8.321
  224    HE2  LYS  36           HE2      LYS  36  30.319   6.782  -8.525
  225    HE3  LYS  36           HE1      LYS  36  30.207   6.657  -6.770
  226    HZ1  LYS  36           HZ1      LYS  36  28.263   7.576  -8.650
  227    HZ2  LYS  36           HZ2      LYS  36  28.528   8.710  -7.413
  228    HZ3  LYS  36           HZ3      LYS  36  28.064   7.122  -7.027
  229    H    HIS  37           HN       HIS  37  35.416  10.441  -5.387
  230    HA   HIS  37           HA       HIS  37  37.669  11.770  -6.122
  231    HB2  HIS  37           HB2      HIS  37  36.491  14.005  -6.923
  232    HB3  HIS  37           HB1      HIS  37  36.941  12.749  -8.081
  233    HD2  HIS  37           HD2      HIS  37  33.810  11.857  -5.991
  234    HE1  HIS  37           HE1      HIS  37  32.429  13.244  -9.737
  235    HE2  HIS  37           HE2      HIS  37  31.744  12.108  -7.571
  236    H    CYS  38           HN       CYS  38  38.136  12.185  -4.036
  237    HA   CYS  38           HA       CYS  38  36.206  13.061  -2.128
  238    HB2  CYS  38           HB2      CYS  38  39.211  12.815  -2.110
  239    HB3  CYS  38           HB1      CYS  38  38.331  13.503  -0.745
  Start of MODEL   20
    1    H1   ABA   1           HT1      ABU   1  10.305 -11.785 -10.873
    2    H2   ABA   1           HT2      ABU   1  11.489 -12.446  -9.852
    3    H3   ABA   1           HT3      ABU   1  10.569 -11.114  -9.339
    4    HA   ABA   1           HA       ABU   1   9.132 -13.522 -10.092
    5    HB2  ABA   1           HB2      ABU   1  10.382 -14.784  -8.780
    6    HG1  ABA   1           HG1      ABU   1   8.870 -15.041  -7.145
    7    HG3  ABA   1           HG3      ABU   1  10.021 -14.123  -6.181
    8    HG2  ABA   1           HG2      ABU   1   8.653 -13.314  -6.927
    9    H    DBU   2           HN       DHB   2   9.092 -10.504  -9.778
   10    HB   DBU   2           HB       DHB   2   5.826  -8.537  -9.289
   11    HG1  DBU   2           HG1      DHB   2   6.968  -8.445 -11.636
   12    HG2  DBU   2           HG2      DHB   2   5.544  -9.481 -11.547
   13    HG3  DBU   2           HG3      DHB   2   7.159 -10.195 -11.475
   14    HA   PRO   3           HA       PRO   3   6.041  -8.639  -5.043
   15    HB2  PRO   3           HB2      PRO   3   4.329 -11.069  -4.849
   16    HB3  PRO   3           HB1      PRO   3   3.951  -9.394  -4.438
   17    HG2  PRO   3           HG2      PRO   3   2.957 -10.530  -6.593
   18    HG3  PRO   3           HG1      PRO   3   3.476  -8.834  -6.608
   19    HD2  PRO   3           HD2      PRO   3   4.838 -11.240  -7.708
   20    HD3  PRO   3           HD1      PRO   3   4.751  -9.592  -8.354
   21    H    VAL   4           HN       VAL   4   6.333 -12.151  -5.641
   22    HA   VAL   4           HA       VAL   4   7.389 -12.800  -3.097
   23    HB   VAL   4           HB       VAL   4   7.566 -14.215  -5.764
   24   HG11  VAL   4          HG11      VAL   4   8.416 -15.095  -2.988
   25   HG12  VAL   4          HG12      VAL   4   9.442 -14.955  -4.415
   26   HG13  VAL   4          HG13      VAL   4   8.198 -16.204  -4.343
   27   HG21  VAL   4          HG21      VAL   4   5.472 -14.833  -5.272
   28   HG22  VAL   4          HG22      VAL   4   5.532 -13.922  -3.762
   29   HG23  VAL   4          HG23      VAL   4   6.064 -15.604  -3.800
   30    H    CYS   5           HN       CYS   5   8.937 -12.041  -6.225
   31    HA   CYS   5           HA       CYS   5  11.596 -12.449  -5.280
   32    HB2  CYS   5           HB2      CYS   5  10.295 -11.328  -7.694
   33    HB3  CYS   5           HB1      CYS   5  11.955 -10.814  -7.378
   34    H    ALA   6           HN       ALA   6   9.511  -9.614  -5.600
   35    HA   ALA   6           HA       ALA   6  11.438  -7.675  -4.899
   36    HB1  ALA   6           HB1      ALA   6   8.951  -7.492  -5.840
   37    HB2  ALA   6           HB2      ALA   6   9.702  -6.171  -4.945
   38    HB3  ALA   6           HB3      ALA   6   8.587  -7.268  -4.129
   39    H    VAL   7           HN       VAL   7   9.156  -9.580  -2.951
   40    HA   VAL   7           HA       VAL   7   9.640  -8.302  -0.487
   41    HB   VAL   7           HB       VAL   7   8.706 -11.089  -1.189
   42   HG11  VAL   7          HG11      VAL   7   7.938 -10.428   1.436
   43   HG12  VAL   7          HG12      VAL   7   9.655 -10.040   1.332
   44   HG13  VAL   7          HG13      VAL   7   9.095 -11.666   0.947
   45   HG21  VAL   7          HG21      VAL   7   6.832  -9.441   0.227
   46   HG22  VAL   7          HG22      VAL   7   6.709 -10.072  -1.415
   47   HG23  VAL   7          HG23      VAL   7   7.482  -8.514  -1.126
   48    H    ALA   8           HN       ALA   8  11.088 -11.210  -1.951
   49    HA   ALA   8           HA       ALA   8  12.864 -11.748   0.199
   50    HB1  ALA   8           HB1      ALA   8  13.384 -13.563  -1.023
   51    HB2  ALA   8           HB2      ALA   8  13.842 -12.587  -2.418
   52    HB3  ALA   8           HB3      ALA   8  12.152 -13.019  -2.161
   53    H    ALA   9           HN       ALA   9  13.186  -9.897  -2.800
   54    HA   ALA   9           HA       ALA   9  15.953  -9.353  -2.585
   55    HB1  ALA   9           HB1      ALA   9  14.192  -8.958  -4.542
   56    HB2  ALA   9           HB2      ALA   9  15.666  -7.998  -4.419
   57    HB3  ALA   9           HB3      ALA   9  14.136  -7.344  -3.832
   58    H    DBU  10           HN       DHB  10  13.084  -7.748  -1.290
   59    HB   DBU  10           HB       DHB  10  13.319  -4.370   0.711
   60    HG1  DBU  10           HG1      DHB  10  11.494  -4.665  -1.247
   61    HG2  DBU  10           HG2      DHB  10  12.906  -5.037  -2.234
   62    HG3  DBU  10           HG3      DHB  10  12.758  -3.456  -1.468
   63    H    ALA  11           HN       ALA  11  13.591  -8.487   1.175
   64    HA   ALA  11           HA       ALA  11  14.598  -7.827   3.718
   65    HB1  ALA  11           HB1      ALA  11  13.970 -10.346   2.262
   66    HB2  ALA  11           HB2      ALA  11  13.383  -9.770   3.821
   67    HB3  ALA  11           HB3      ALA  11  14.996 -10.471   3.690
   68    H    ALA  12           HN       ALA  12  16.162  -9.208   0.858
   69    HA   ALA  12           HA       ALA  12  18.725  -9.388   2.240
   70    HB1  ALA  12           HB1      ALA  12  19.520 -10.231   0.006
   71    HB2  ALA  12           HB2      ALA  12  17.866 -10.055  -0.583
   72    HB3  ALA  12           HB3      ALA  12  18.222 -11.187   0.722
   73    H    ALA  13           HN       ALA  13  16.974  -7.139   0.354
   74    HA   ALA  13           HA       ALA  13  19.083  -5.791  -0.962
   75    HB1  ALA  13           HB1      ALA  13  17.453  -3.844  -0.943
   76    HB2  ALA  13           HB2      ALA  13  16.358  -4.881  -0.028
   77    HB3  ALA  13           HB3      ALA  13  16.846  -5.337  -1.661
   78    H    ALA  14           HN       ALA  14  17.506  -5.207   2.177
   79    HA   ALA  14           HA       ALA  14  19.086  -2.965   2.886
   80    HB2  ALA  14           HB2      ALA  14  16.879  -4.164   3.947
   81    HB3  ALA  14           HB3      ALA  14  18.121  -4.662   5.096
   82    H    DHA  15           HN       DHA  15  19.495  -6.451   3.369
   83    HB1  DHA  15           HB1      DHA  15  20.694  -8.587   4.577
   84    HB2  DHA  15           HB2      DHA  15  22.505  -8.315   4.871
   85    H    ALA  16           HN       ALA  16  22.521  -5.605   2.110
   86    HA   ALA  16           HA       ALA  16  24.826  -4.522   3.553
   87    HB1  ALA  16           HB1      ALA  16  25.687  -5.397   1.633
   88    HB2  ALA  16           HB2      ALA  16  25.276  -3.802   1.003
   89    HB3  ALA  16           HB3      ALA  16  24.190  -5.165   0.728
   90    H    ALA  17           HN       ALA  17  22.160  -3.395   1.482
   91    HA   ALA  17           HA       ALA  17  22.855  -0.663   1.478
   92    HB1  ALA  17           HB1      ALA  17  21.234  -1.616  -0.091
   93    HB2  ALA  17           HB2      ALA  17  20.515  -0.280   0.806
   94    HB3  ALA  17           HB3      ALA  17  20.123  -1.945   1.239
   95    H    CYS  18           HN       CYS  18  20.600  -2.467   3.558
   96    HA   CYS  18           HA       CYS  18  19.738  -0.320   5.137
   97    HB2  CYS  18           HB2      CYS  18  19.942  -3.287   5.607
   98    HB3  CYS  18           HB1      CYS  18  19.404  -2.205   6.890
   99    H    GLY  19           HN       GLY  19  22.398  -2.638   5.684
  100    HA2  GLY  19           HA2      GLY  19  23.291  -1.424   8.106
  101    HA3  GLY  19           HA1      GLY  19  24.200  -2.574   7.128
  102    H    TRP  20           HN       TRP  20  24.254  -1.125   4.711
  103    HA   TRP  20           HA       TRP  20  26.511   0.517   5.108
  104    HB2  TRP  20           HB2      TRP  20  24.647   0.128   2.774
  105    HB3  TRP  20           HB1      TRP  20  26.012   1.241   2.704
  106    HD1  TRP  20           HD1      TRP  20  26.316  -1.975   4.702
  107    HE1  TRP  20           HE1      TRP  20  28.019  -3.528   3.519
  108    HE3  TRP  20           HE3      TRP  20  27.052   0.594   0.348
  109    HZ2  TRP  20           HZ2      TRP  20  29.468  -3.675   1.119
  110    HZ3  TRP  20           HZ3      TRP  20  28.608  -0.292  -1.367
  111    HH2  TRP  20           HH2      TRP  20  29.809  -2.428  -0.967
  112    H    VAL  21           HN       VAL  21  23.078   1.266   4.735
  113    HA   VAL  21           HA       VAL  21  23.288   4.048   4.432
  114    HB   VAL  21           HB       VAL  21  21.134   2.314   5.650
  115   HG11  VAL  21          HG11      VAL  21  19.745   4.458   5.129
  116   HG12  VAL  21          HG12      VAL  21  21.299   5.285   5.223
  117   HG13  VAL  21          HG13      VAL  21  20.687   4.399   6.618
  118   HG21  VAL  21          HG21      VAL  21  21.956   2.643   3.027
  119   HG22  VAL  21          HG22      VAL  21  20.633   3.802   3.167
  120   HG23  VAL  21          HG23      VAL  21  20.355   2.098   3.528
  121    H    GLY  22           HN       GLY  22  24.015   5.549   5.776
  122    HA2  GLY  22           HA2      GLY  22  24.429   6.720   7.723
  123    HA3  GLY  22           HA1      GLY  22  23.407   5.568   8.577
  124    H    GLY  23           HN       GLY  23  25.291   3.483   7.162
  125    HA2  GLY  23           HA2      GLY  23  27.430   3.643   9.210
  126    HA3  GLY  23           HA1      GLY  23  26.682   2.129   8.708
  127    H    GLY  24           HN       GLY  24  26.787   1.795   6.224
  128    HA2  GLY  24           HA2      GLY  24  29.509   1.576   5.487
  129    HA3  GLY  24           HA1      GLY  24  28.134   1.299   4.423
  130    H    ILE  25           HN       ILE  25  26.990   3.922   4.665
  131    HA   ILE  25           HA       ILE  25  28.410   5.264   2.617
  132    HB   ILE  25           HB       ILE  25  25.889   5.401   3.433
  133   HG12  ILE  25          HG12      ILE  25  26.915   6.431   1.389
  134   HG13  ILE  25          HG11      ILE  25  25.665   7.440   2.122
  135   HG21  ILE  25          HG21      ILE  25  26.461   6.389   5.627
  136   HG22  ILE  25          HG22      ILE  25  25.478   7.496   4.668
  137   HG23  ILE  25          HG23      ILE  25  27.216   7.758   4.809
  138   HD11  ILE  25          HD11      ILE  25  27.633   8.528   3.432
  139   HD12  ILE  25          HD12      ILE  25  27.415   8.964   1.738
  140   HD13  ILE  25          HD13      ILE  25  28.654   7.795   2.196
  141    H    PHE  26           HN       PHE  26  28.146   5.837   6.105
  142    HA   PHE  26           HA       PHE  26  29.683   8.206   6.198
  143    HB2  PHE  26           HB2      PHE  26  28.265   7.446   8.069
  144    HB3  PHE  26           HB1      PHE  26  29.347   6.078   8.332
  145    HD1  PHE  26           HD1      PHE  26  29.302   9.815   8.161
  146    HD2  PHE  26           HD2      PHE  26  31.249   6.308   9.696
  147    HE1  PHE  26           HE1      PHE  26  30.773  11.243   9.557
  148    HE2  PHE  26           HE2      PHE  26  32.720   7.736  11.092
  149    HZ   PHE  26           HZ       PHE  26  32.481  10.203  11.022
  150    H    THR  27           HN       THR  27  30.597   4.788   6.578
  151    HA   THR  27           HA       THR  27  33.323   5.217   7.148
  152    HB   THR  27           HB       THR  27  32.166   2.854   5.651
  153    HG1  THR  27           HG1      THR  27  30.943   2.902   7.411
  154   HG21  THR  27          HG21      THR  27  34.324   2.209   5.762
  155   HG22  THR  27          HG22      THR  27  34.062   2.016   7.496
  156   HG23  THR  27          HG23      THR  27  34.737   3.520   6.867
  157    H    GLY  28           HN       GLY  28  31.648   4.639   4.059
  158    HA2  GLY  28           HA2      GLY  28  33.972   4.744   2.436
  159    HA3  GLY  28           HA1      GLY  28  32.316   4.985   1.881
  160    H    VAL  29           HN       VAL  29  31.700   7.208   3.577
  161    HA   VAL  29           HA       VAL  29  32.666   9.344   1.988
  162    HB   VAL  29           HB       VAL  29  31.122   9.212   4.573
  163   HG11  VAL  29          HG11      VAL  29  30.923  11.585   4.572
  164   HG12  VAL  29          HG12      VAL  29  31.710  11.723   2.999
  165   HG13  VAL  29          HG13      VAL  29  32.646  11.249   4.417
  166   HG21  VAL  29          HG21      VAL  29  29.270   9.634   3.239
  167   HG22  VAL  29          HG22      VAL  29  30.262   8.712   2.108
  168   HG23  VAL  29          HG23      VAL  29  30.218  10.472   2.010
  169    H    DBU  30           HN       DHB  30  33.466   8.232   5.275
  170    HB   DBU  30           HB       DHB  30  36.252  10.216   7.298
  171    HG1  DBU  30           HG1      DHB  30  33.689  11.462   6.680
  172    HG2  DBU  30           HG2      DHB  30  34.465  11.392   8.262
  173    HG3  DBU  30           HG3      DHB  30  33.390  10.089   7.749
  174    H    VAL  31           HN       VAL  31  35.382   6.902   4.752
  175    HA   VAL  31           HA       VAL  31  38.189   6.524   4.899
  176    HB   VAL  31           HB       VAL  31  35.996   5.061   3.427
  177   HG11  VAL  31          HG11      VAL  31  38.976   4.622   3.512
  178   HG12  VAL  31          HG12      VAL  31  37.899   4.594   2.116
  179   HG13  VAL  31          HG13      VAL  31  37.868   3.269   3.280
  180   HG21  VAL  31          HG21      VAL  31  36.205   3.458   5.178
  181   HG22  VAL  31          HG22      VAL  31  36.202   5.026   5.984
  182   HG23  VAL  31          HG23      VAL  31  37.720   4.162   5.743
  183    H    VAL  32           HN       VAL  32  35.989   7.266   2.182
  184    HA   VAL  32           HA       VAL  32  37.993   7.344   0.188
  185    HB   VAL  32           HB       VAL  32  35.246   8.593   0.392
  186   HG11  VAL  32          HG11      VAL  32  37.295   8.675  -1.816
  187   HG12  VAL  32          HG12      VAL  32  36.374  10.009  -1.121
  188   HG13  VAL  32          HG13      VAL  32  35.569   8.824  -2.150
  189   HG21  VAL  32          HG21      VAL  32  36.397   6.202  -1.076
  190   HG22  VAL  32          HG22      VAL  32  34.772   6.832  -1.352
  191   HG23  VAL  32          HG23      VAL  32  35.210   6.178   0.228
  192    H    VAL  33           HN       VAL  33  36.432   9.967   2.043
  193    HA   VAL  33           HA       VAL  33  37.672  12.164   0.972
  194    HB   VAL  33           HB       VAL  33  36.095  12.603   2.650
  195   HG11  VAL  33          HG11      VAL  33  35.821  11.406   4.578
  196   HG12  VAL  33          HG12      VAL  33  37.557  11.288   4.872
  197   HG13  VAL  33          HG13      VAL  33  36.783  10.214   3.709
  198   HG21  VAL  33          HG21      VAL  33  38.743  12.979   4.052
  199   HG22  VAL  33          HG22      VAL  33  37.276  13.926   4.293
  200   HG23  VAL  33          HG23      VAL  33  38.157  14.033   2.768
  201    H    DAL  34           HN       DAL  34  38.869  10.620   3.951
  202    HA   DAL  34           HA       DAL  34  41.032  10.067   4.547
  203    HB1  DAL  34           HB2      DAL  34  41.719  12.832   3.619
  204    HB2  DAL  34           HB3      DAL  34  40.692  12.566   5.016
  205    H    LEU  35           HN       LEU  35  40.681   8.762   2.393
  206    HA   LEU  35           HA       LEU  35  43.192   8.469   1.183
  207    HB2  LEU  35           HB2      LEU  35  40.443   7.444   0.640
  208    HB3  LEU  35           HB1      LEU  35  41.689   7.194  -0.578
  209    HG   LEU  35           HG       LEU  35  42.127   6.505   2.334
  210   HD11  LEU  35          HD11      LEU  35  40.696   4.788   2.085
  211   HD12  LEU  35          HD12      LEU  35  41.772   4.147   0.842
  212   HD13  LEU  35          HD13      LEU  35  40.429   5.197   0.391
  213   HD21  LEU  35          HD21      LEU  35  43.410   5.156  -0.017
  214   HD22  LEU  35          HD22      LEU  35  44.062   5.447   1.596
  215   HD23  LEU  35          HD23      LEU  35  43.968   6.768   0.431
  216    H    LYS  36           HN       LYS  36  40.359  10.309   0.232
  217    HA   LYS  36           HA       LYS  36  41.104  10.883  -2.425
  218    HB2  LYS  36           HB2      LYS  36  39.316  12.264  -0.436
  219    HB3  LYS  36           HB1      LYS  36  39.605  12.944  -2.037
  220    HG2  LYS  36           HG2      LYS  36  38.664  10.100  -1.598
  221    HG3  LYS  36           HG1      LYS  36  37.561  11.449  -1.868
  222    HD2  LYS  36           HD2      LYS  36  38.702  11.934  -4.012
  223    HD3  LYS  36           HD1      LYS  36  39.768  10.555  -3.743
  224    HE2  LYS  36           HE2      LYS  36  37.873   9.026  -3.777
  225    HE3  LYS  36           HE1      LYS  36  36.746  10.377  -3.907
  226    HZ1  LYS  36           HZ1      LYS  36  38.894  10.011  -5.895
  227    HZ2  LYS  36           HZ2      LYS  36  37.420  10.843  -6.053
  228    HZ3  LYS  36           HZ3      LYS  36  37.443   9.144  -6.030
  229    H    HIS  37           HN       HIS  37  41.839  12.485   0.646
  230    HA   HIS  37           HA       HIS  37  43.856  14.094  -0.804
  231    HB2  HIS  37           HB2      HIS  37  42.054  15.041   1.432
  232    HB3  HIS  37           HB1      HIS  37  43.358  15.979   0.701
  233    HD2  HIS  37           HD2      HIS  37  39.694  14.878  -0.117
  234    HE1  HIS  37           HE1      HIS  37  41.074  17.238  -3.335
  235    HE2  HIS  37           HE2      HIS  37  39.039  16.100  -2.330
  236    H    CYS  38           HN       CYS  38  42.803  13.164   2.487
  237    HA   CYS  38           HA       CYS  38  45.565  13.261   3.412
  238    HB2  CYS  38           HB2      CYS  38  44.710  13.411   5.531
  239    HB3  CYS  38           HB1      CYS  38  43.330  14.042   4.633