*HEADER    MEMBRANE PROTEIN                        02-MAY-11   2LCN              
*TITLE     1H AND 15N ASSIGNMENTS OF WALP19-P10 PEPTIDE IN SDS MICELLES          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WALP19-P10 PEPTIDE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE AUTHOR STATES THAT THE SEQUENCE IS SYNTHETIC,     
*SOURCE   4 THERE IS NO NATURAL SOURCE.                                          
*KEYWDS    PROLINE DISTORTION, TRANSMEMBRANE, MEMBRANE PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    V.V.VOSTRIKOV, J.M.COURTNEY, J.F.HINTON, R.E.KOEPPE II                
*REVDAT   1   11-APR-12 2LCN    0                                                


! st 2.2 0.4 0.6 | st mt 2.2 0.4 1.3
! md 2.6 0.8 0.9 | md mt 2.6 0.8 1.4
! wk 3.4 1.6 2.1 | wk mt 3.4 1.6 2.6
! vw 3.4 1.6 2.6 | vw mt 3.4 1.6 3.1
assign (residue 2 and name HD1) (residue 2 and name HE1) 2.2 0.4 0.6
assign (residue 2 and name HZ2) (residue 2 and name HE1) 2.2 0.4 0.6
assign (residue 3 and name HA) (residue 3 and name HN) 2.2 0.4 0.6
assign (residue 3 and name HB1) (residue 4 and name HN) 3.4 1.6 2.1 !3.8
assign (residue 3 and name HB2) (residue 4 and name HN) 3.4 1.6 2.1 !3.8
assign (residue 3 and name HD1) (residue 3 and name HE1) 2.2 0.4 0.6
assign (residue 3 and name HN) (residue 2 and name HN) 2.2 0.4 0.6
assign (residue 3 and name HZ2) (residue 3 and name HE1) 2.2 0.4 0.6
assign (residue 4 and name HA) (residue 4 and name HN) 2.2 0.4 0.6
assign (residue 4 and name HB#) (residue 4 and name HA) 2.2 0.4 0.6
assign (residue 4 and name HG) (residue 4 and name HB#) 2.2 0.4 0.6
assign (residue 4 and name HG) (residue 4 and name HN) 2.2 0.4 0.6
assign (residue 4 and name HB#) (residue 4 and name HN) 2.2 0.4 0.6
assign (residue 4 and name HB#) (residue 5 and name HN) 2.2 0.4 0.6 !3.6/3.0
assign (residue 4 and name HN) (residue 5 and name HN) 2.2 0.4 0.6
assign (residue 5 and name HA) (residue 5 and name HN) 2.2 0.4 0.6
assign (residue 6 and name HA) (residue 6 and name HN) 2.2 0.4 0.6
assign (residue 6 and name HG) (residue 6 and name HA) 2.2 0.4 0.6
assign (residue 7 and name HA) (residue 7 and name HN) 2.2 0.4 0.6
assign (residue 8 and name HA) (residue 8 and name HN) 2.2 0.4 0.6
assign (residue 8 and name HN) (residue 9 and name HN) 2.2 0.4 0.6
assign (residue 9 and name HA) (residue 9 and name HN) 2.2 0.4 0.6
assign (residue 10 and name HB1) (residue 10 and name HB2) 2.2 0.4 0.6
assign (residue 10 and name HG#) (residue 10 and name HB1) 2.2 0.4 0.6
assign (residue 12 and name HA) (residue 12 and name HN) 2.2 0.4 0.6
assign (residue 12 and name HB#) (residue 12 and name HA) 2.2 0.4 0.6
assign (residue 12 and name HB#) (residue 12 and name HN) 2.2 0.4 0.6
assign (residue 12 and name HG) (residue 12 and name HB#) 2.2 0.4 0.6
assign (residue 12 and name HG) (residue 12 and name HN) 2.2 0.4 0.6
assign (residue 13 and name HA) (residue 13 and name HN) 2.2 0.4 0.6
assign (residue 14 and name HA) (residue 14 and name HN) 2.2 0.4 0.6
assign (residue 14 and name HB#) (residue 14 and name HN) 2.2 0.4 0.6
assign (residue 15 and name HA) (residue 15 and name HN) 2.2 0.4 0.6
assign (residue 16 and name HA) (residue 16 and name HN) 2.2 0.4 0.6
assign (residue 16 and name HB1) (residue 16 and name HN) 2.6 0.8 0.9
assign (residue 16 and name HB2) (residue 16 and name HN) 2.2 0.4 0.6
assign (residue 16 and name HN) (residue 17 and name HN) 2.2 0.4 0.6
assign (residue 17 and name HA) (residue 17 and name HN) 2.2 0.4 0.6
assign (residue 17 and name HB1) (residue 17 and name HN) 2.2 0.4 0.6
assign (residue 17 and name HB2) (residue 17 and name HN) 2.6 0.8 0.9
assign (residue 17 and name HD1) (residue 17 and name HE1) 2.2 0.4 0.6
assign (residue 17 and name HN) (residue 18 and name HN) 2.2 0.4 0.6
assign (residue 17 and name HZ2) (residue 17 and name HE1) 2.2 0.4 0.6
assign (residue 18 and name HA) (residue 18 and name HN) 2.2 0.4 0.6
assign (residue 18 and name HB1) (residue 18 and name HN) 2.2 0.4 0.6
assign (residue 18 and name HB2) (residue 18 and name HN) 2.2 0.4 0.6
assign (residue 18 and name HD1) (residue 18 and name HE1) 2.2 0.4 0.6
assign (residue 19 and name HA) (residue 19 and name HN) 2.2 0.4 0.6
assign (residue 19 and name HN) (residue 18 and name HN) 2.2 0.4 0.6
assign (residue 2 and name HA) (residue 2 and name HD1) 3.4 1.6 2.1
assign (residue 2 and name HA) (residue 2 and name HE3) 3.4 1.6 2.1
!assign (residue 2 and name HA) (residue 2 and name HZ2) 3.4 1.6 2.1
assign (residue 2 and name HA) (residue 5 and name HN) 3.4 1.6 2.1
assign (residue 2 and name HD1) (residue 2 and name HN) 2.6 0.8 0.9
assign (residue 2 and name HB1) (residue 2 and name HA) 2.2 0.4 0.6
assign (residue 2 and name HB2) (residue 2 and name HA) 2.2 0.4 0.6
assign (residue 3 and name HA) (residue 4 and name HN) 2.6 0.8 0.9
assign (residue 3 and name HB1) (residue 3 and name HA) 2.6 0.8 0.9
assign (residue 3 and name HB2) (residue 3 and name HA) 2.6 0.8 0.9
assign (residue 3 and name HB1) (residue 3 and name HD1) 2.6 0.8 0.9
assign (residue 3 and name HB2) (residue 3 and name HD1) 2.6 0.8 0.9 !3.7
assign (residue 4 and name HA) (residue 6 and name HN) 2.6 0.8 0.9 !3.7
assign (residue 4 and name HA) (residue 7 and name HN) 2.6 0.8 0.9
assign (residue 4 and name HG) (residue 4 and name HA) 2.6 0.8 0.9
assign (residue 6 and name HA) (residue 7 and name HN) 2.6 0.8 0.9
assign (residue 6 and name HA) (residue 9 and name HN) 2.6 0.8 0.9
assign (residue 6 and name HD1#) (residue 6 and name HG) 2.6 0.8 0.9
assign (residue 6 and name HD2#) (residue 6 and name HG) 2.6 0.8 0.9
assign (residue 6 and name HG) (residue 6 and name HN) 2.6 0.8 0.9
assign (residue 6 and name HG) (residue 7 and name HN) 3.4 1.6 2.1
assign (residue 7 and name HA) (residue 8 and name HN) 2.6 0.8 0.9
assign (residue 10 and name HA) (residue 9 and name HN) 3.4 1.6 2.1
assign (residue 10 and name HB1) (residue 10 and name HD#) 2.6 0.8 0.9
assign (residue 10 and name HB2) (residue 10 and name HA) 2.6 0.8 0.9
assign (residue 10 and name HB2) (residue 10 and name HD#) 2.6 0.8 0.9
assign (residue 10 and name HD#) (residue 9 and name HN) 2.6 0.8 0.9
assign (residue 10 and name HD#) (residue 10 and name HA) 2.6 0.8 0.9
assign (residue 10 and name HG#) (residue 10 and name HA) 2.6 0.8 0.9
assign (residue 10 and name HG#) (residue 10 and name HD#) 2.6 0.8 0.9
assign (residue 11 and name HB#) (residue 11 and name HN) 2.6 0.8 0.9
assign (residue 11 and name HB#) (residue 15 and name HN) 2.6 0.8 0.9
assign (residue 11 and name HN) (residue 12 and name HN) 2.6 0.8 0.9
assign (residue 12 and name HA) (residue 15 and name HN) 2.6 0.8 0.9
assign (residue 12 and name HB#) (residue 13 and name HN) 2.6 0.8 0.9
assign (residue 12 and name HB#) (residue 15 and name HN) 3.4 1.6 2.1
assign (residue 12 and name HG) (residue 12 and name HA) 2.6 0.8 0.9
assign (residue 12 and name HN) (residue 13 and name HN) 2.6 0.8 0.9
assign (residue 13 and name HA) (residue 16 and name HN) 2.6 0.8 0.9
assign (residue 14 and name HA) (residue 17 and name HN) 2.6 0.8 0.9
assign (residue 14 and name HB#) (residue 14 and name HA) 2.6 0.8 0.9
assign (residue 14 and name HB#) (residue 15 and name HN) 2.6 0.8 0.9
assign (residue 14 and name HN) (residue 15 and name HN) 2.6 0.8 0.9
assign (residue 15 and name HA) (residue 16 and name HN) 2.6 0.8 0.9
assign (residue 15 and name HA) (residue 18 and name HN) 2.6 0.8 0.9
assign (residue 15 and name HA) (residue 19 and name HN) 2.6 0.8 0.9
assign (residue 16 and name HA) (residue 17 and name HN) 2.6 0.8 0.9
assign (residue 17 and name HA) (residue 17 and name HD1) 2.6 0.8 0.9
assign (residue 17 and name HB2) (residue 17 and name HB1) 2.6 0.8 0.9
assign (residue 17 and name HH2) (residue 17 and name HZ3) 2.6 0.8 0.9
assign (residue 17 and name HZ3) (residue 18 and name HN) 2.6 0.8 0.9
assign (residue 18 and name HA) (residue 18 and name HD1) 2.6 0.8 0.9
assign (residue 18 and name HA) (residue 18 and name HE3) 3.4 1.6 2.1
!assign (residue 18 and name HA) (residue 18 and name HZ3) 3.4 1.6 2.1
assign (residue 18 and name HB1) (residue 18 and name HA) 2.6 0.8 0.9
assign (residue 18 and name HB2) (residue 18 and name HA) 2.6 0.8 0.9
assign (residue 18 and name HB1) (residue 18 and name HD1) 2.6 0.8 0.9
assign (residue 18 and name HB2) (residue 18 and name HD1) 2.6 0.8 0.9
assign (residue 18 and name HB1) (residue 19 and name HN) 2.6 0.8 0.9
assign (residue 18 and name HB2) (residue 19 and name HN) 2.6 0.8 0.9
assign (residue 18 and name HB2) (residue 18 and name HB1) 2.6 0.8 0.9
assign (residue 2 and name HB1) (residue 2 and name HD1) 2.6 0.8 0.9
assign (residue 2 and name HB2) (residue 2 and name HD1) 2.6 0.8 0.9
assign (residue 2 and name HB1) (residue 2 and name HN) 2.2 0.4 0.6
assign (residue 2 and name HB2) (residue 2 and name HN) 2.6 0.8 0.9
assign (residue 2 and name HB2) (residue 2 and name HB1) 2.2 0.4 0.6
assign (residue 2 and name HB1) (residue 2 and name HE3) 3.4 1.6 2.1
assign (residue 2 and name HB2) (residue 2 and name HE3) 3.4 1.6 2.1
!assign (residue 2 and name HZ2) ((residue 2 and name HB1) OR (residue 2 and name HB1)) 3.4 1.6 2.1
assign (residue 2 and name HN) (residue 3 and name HD1) 3.4 1.6 2.1
assign (residue 3 and name HB2) (residue 3 and name HB1) 2.2 0.4 0.6
assign (residue 3 and name HA) (residue 2 and name HE3) 3.4 1.6 2.1
assign (residue 3 and name HA) (residue 2 and name HZ2) 3.4 1.6 2.1
assign (residue 3 and name HA) (residue 3 and name HD1) 3.4 1.6 2.1
assign (residue 3 and name HA) (residue 6 and name HN) 3.4 1.6 2.1
assign (residue 3 and name HN) (residue 4 and name HN) 3.4 1.6 2.1
assign (residue 5 and name HA) (residue 6 and name HN) 3.4 1.6 2.1
assign (residue 5 and name HA) (residue 8 and name HN) 3.4 1.6 2.1
assign (residue 5 and name HA) (residue 9 and name HN) 3.4 1.6 2.1
assign (residue 10 and name HB1) (residue 10 and name HA) 3.4 1.6 2.1
assign (residue 10 and name HB2) (residue 9 and name HN) 3.4 1.6 2.1
assign (residue 11 and name HB#) (residue 15 and name HN) 3.4 1.6 2.1
assign (residue 12 and name HG) (residue 13 and name HN) 3.4 1.6 2.1
assign (residue 13 and name HA) (residue 17 and name HN) 3.4 1.6 2.1
assign (residue 14 and name HB#) (residue 11 and name HA) 3.4 1.6 2.1
assign (residue 15 and name HA) (residue 18 and name HE3) 3.4 1.6 2.1
assign (residue 15 and name HA) (residue 18 and name HZ3) 3.4 1.6 2.1
assign (residue 15 and name HB#) (residue 18 and name HZ3) 3.4 1.6 2.1
assign (residue 15 and name HN) (residue 16 and name HN) 3.4 1.6 2.1
assign (residue 16 and name HA) (residue 19 and name HN) 3.4 1.6 2.1
assign (residue 17 and name HA) (residue 17 and name HE1) 3.4 1.6 2.1
assign (residue 17 and name HB1) (residue 17 and name HA) 3.4 1.6 2.1
assign (residue 17 and name HB2) (residue 17 and name HA) 3.4 1.6 2.1
assign (residue 17 and name HB1) (residue 17 and name HD1) 3.4 1.6 2.1
assign (residue 17 and name HB2) (residue 17 and name HD1) 3.4 1.6 2.1
assign (residue 17 and name HZ3) (residue 17 and name HN) 3.4 1.6 2.1
assign (residue 18 and name HA) (residue 17 and name HE3) 3.4 1.6 2.1
assign (residue 18 and name HB1) (residue 18 and name HE3) 3.4 1.6 2.1
assign (residue 18 and name HB2) (residue 18 and name HE3) 3.4 1.6 2.1
assign (residue 18 and name HB1) (residue 18 and name HZ3) 3.4 1.6 2.6
assign (residue 18 and name HB2) (residue 18 and name HZ3) 3.4 1.6 2.6
assign (residue 18 and name HB1) (residue 15 and name HA) 3.4 1.6 2.6
assign (residue 18 and name HB2) (residue 15 and name HA) 3.4 1.6 2.6
assign (residue 19 and name HN) (residue 18 and name HE3) 3.4 1.6 2.1
assign (residue 19 and name HN) (residue 18 and name HZ3) 3.4 1.6 2.1
assign (residue 4 and name HG) (residue 3 and name HE1) 3.4 1.6 2.6
assign (residue 17 and name HD1) (residue 17 and name HN) 3.4 1.6 2.6
assign (residue 18 and name HA) (residue 17 and name HZ3) 3.4 1.6 2.6
assign (residue 18 and name HA) (residue 18 and name HE1) 3.4 1.6 2.6
assign (residue 4 and name HD1#) (residue 4 and name HN) 3.4 1.6 3.1
assign (residue 4 and name HD2#) (residue 4 and name HN) 3.4 1.6 2.6
assign (residue 4 and name HD1#) (residue 4 and name HA) 2.6 0.8 1.4
assign (residue 4 and name HD2#) (residue 4 and name HA) 2.2 0.4 1.3
assign (residue 4 and name HD2#) (residue 7 and name HN) 3.4 1.6 3.1
assign (residue 6 and name HB1) (residue 6 and name HN) 2.6 0.8 0.9
assign (residue 6 and name HB2) (residue 6 and name HN) 2.2 0.4 0.6
assign (residue 6 and name HD1#) (residue 2 and name HZ2) 3.4 1.6 3.1
assign (residue 6 and name HD2#) (residue 2 and name HZ2) 3.4 1.6 3.1
assign (residue 6 and name HD1#) (residue 7 and name HN) 3.4 1.6 3.1
assign (residue 6 and name HD2#) (residue 7 and name HN) 3.4 1.6 3.1
assign (residue 6 and name HD1#) (residue 9 and name HN) 3.4 1.6 3.1
assign (residue 6 and name HD2#) (residue 9 and name HN) 3.4 1.6 3.1
assign (residue 6 and name HD1#) (residue 6 and name HB1) 2.6 0.8 0.9
assign (residue 6 and name HD2#) (residue 6 and name HB1) 2.6 0.8 0.9
assign (residue 6 and name HD2#) (residue 6 and name HB2) 2.6 0.8 0.9
assign (residue 6 and name HD1#) (residue 6 and name HN) 2.6 0.8 1.4
assign (residue 6 and name HD2#) (residue 6 and name HN) 2.6 0.8 1.4
assign (residue 6 and name HD1#) (residue 3 and name HA) 3.4 1.6 3.1
assign (residue 6 and name HD2#) (residue 3 and name HA) 3.4 1.6 3.1
assign (residue 8 and name HD1#) (residue 9 and name HN) 3.4 1.6 2.1
assign (residue 8 and name HD2#) (residue 9 and name HN) 3.4 1.6 3.1
assign (residue 13 and name HB#) (residue 16 and name HN) 3.4 1.6 3.1
assign (residue 13 and name HB#) (residue 17 and name HN) 3.4 1.6 3.1
assign (residue 15 and name HN) ((residue 14 and name HD1#) OR (residue 14 and name HD2#)) 3.4 1.6 3.1
assign (residue 14 and name HD1#) (residue 14 and name HN) 3.4 1.6 3.1
assign (residue 14 and name HD2#) (residue 14 and name HN) 3.4 1.6 3.1
assign (residue 17 and name HB1) (residue 17 and name HZ3) 3.4 1.6 2.1
!assign (residue 17 and name HB2) (residue 17 and name HZ3) 3.4 1.6 2.1
assign (residue 14 and name HD1#) (residue 17 and name HE3) 3.4 1.6 2.6
assign (residue 14 and name HD2#) (residue 17 and name HE3) 3.4 1.6 2.6
assign (residue 14 and name HD1#) (residue 18 and name HZ3) 3.4 1.6 3.1
assign (residue 14 and name HD2#) (residue 18 and name HZ3) 3.4 1.6 3.1
assign (residue 14 and name HD1#) (residue 14 and name HB#) 3.4 1.6 3.1
assign (residue 14 and name HD2#) (residue 14 and name HB#) 3.4 1.6 3.1
assign (residue 14 and name HD2#) (residue 17 and name HH2) 3.4 1.6 3.1
assign (residue 14 and name HD1#) (residue 17 and name HH2) 3.4 1.6 3.1
assign (residue 15 and name HB#) (residue 18 and name HN) 3.4 1.6 3.1
assign (residue 19 and name HB#) (residue 18 and name HN) 3.4 1.6 3.1
assign (residue 5 and name HB#) (residue 8 and name HN) 3.4 1.6 2.6
assign (residue 12 and name HD#) (residue 12 and name HA) 3.4 1.6 2.6
assign (residue 12 and name HD#) (residue 15 and name HN) 3.4 1.6 2.6
assign (residue 15 and name HB#) (residue 18 and name HE3) 3.4 1.6 2.6
#assign (residue 19 and name HB#) (residue 17 and name HH2) 3.4 1.6 3.1
assign (residue 5 and name HB#) (residue 2 and name HE3) 2.6 0.8 1.4
assign (residue 5 and name HB#) (residue 2 and name HZ2) 2.6 0.8 1.4
assign (residue 8 and name HB#) (residue 8 and name HA) 2.6 0.8 0.9
assign (residue 8 and name HB#) (residue 8 and name HN) 2.2 0.4 0.6
assign (residue 8 and name HB#) (residue 9 and name HN) 2.2 0.4 0.6
assign (residue 8 and name HD1#) (residue 8 and name HB#) 2.6 0.8 1.4
assign (residue 8 and name HD2#) (residue 8 and name HB#) 2.6 0.8 1.4
assign (residue 8 and name HD1#) (residue 8 and name HN) 2.6 0.8 1.4
assign (residue 8 and name HD2#) (residue 8 and name HN) 2.6 0.8 1.4
assign (residue 12 and name HD#) (residue 12 and name HB#) 2.6 0.8 1.4
assign (residue 12 and name HD#) (residue 12 and name HG) 2.6 0.8 1.4
assign (residue 12 and name HD#) (residue 12 and name HN) 2.6 0.8 1.4
assign (residue 13 and name HB#) (residue 14 and name HN) 2.6 0.8 1.4
assign (residue 15 and name HB#) (residue 12 and name HA) 2.6 0.8 1.4
assign (residue 15 and name HB#) (residue 15 and name HA) 2.6 0.8 1.4
assign (residue 15 and name HB#) (residue 17 and name HN) 3.4 1.6 2.6
assign (residue 19 and name HB#) (residue 16 and name HA) 2.6 0.8 1.4
assign (residue 19 and name HB#) (residue 18 and name HE3) 2.6 0.8 1.4
assign (residue 19 and name HB#) (residue 18 and name HZ3) 2.6 0.8 1.4
assign (residue 5 and name HB#) (residue 5 and name HA) 2.2 0.4 1.3
assign (residue 5 and name HB#) (residue 5 and name HN) 2.2 0.4 1.3
assign (residue 5 and name HB#) (residue 6 and name HN) 2.2 0.4 1.3
assign (residue 7 and name HB#) (residue 7 and name HA) 2.2 0.4 1.3
assign (residue 7 and name HB#) (residue 7 and name HN) 2.2 0.4 1.3
assign (residue 7 and name HB#) (residue 8 and name HN) 2.2 0.4 1.3
assign (residue 9 and name HB#) (residue 9 and name HA) 2.2 0.4 1.3
assign (residue 9 and name HB#) (residue 9 and name HN) 2.2 0.4 1.3
assign (residue 11 and name HB#) (residue 12 and name HN) 2.2 0.4 1.3
assign (residue 13 and name HB#) (residue 13 and name HA) 2.2 0.4 1.3
assign (residue 13 and name HB#) (residue 13 and name HN) 2.2 0.4 1.3
assign (residue 15 and name HB#) (residue 15 and name HN) 2.2 0.4 1.3
assign (residue 15 and name HB#) (residue 16 and name HN) 2.2 0.4 1.3
assign (residue 19 and name HB#) (residue 19 and name HA) 2.2 0.4 1.3
assign (residue 19 and name HB#) (residue 19 and name HN) 2.2 0.4 1.3
assign (residue 3 and name HE3) (residue 3 and name HA) 3.4 1.6 2.6
assign (residue 3 and name HE3) (residue 4 and name HA) 3.4 1.6 2.6
assign (residue 3 and name HE3) (residue 6 and name HD1#) 3.4 1.6 2.6
assign (residue 3 and name HE3) (residue 6 and name HD2#) 3.4 1.6 2.6
assign (residue 3 and name HE3) (residue 7 and name HB#) 3.4 1.6 2.6
assign (residue 3 and name HH2) (residue 6 and name HD1#) 3.4 1.6 3.1
!assign (residue 3 and name HH2) (residue 6 and name HD2#) 3.4 1.6 3.1 !8.0
assign (residue 3 and name HH2) (residue 4 and name HD1#) 3.4 1.6 3.1
assign (residue 3 and name HH2) (residue 4 and name HD2#) 3.4 1.6 3.1
assign (residue 3 and name HZ3) (residue 6 and name HD1#) 3.4 1.6 2.6
assign (residue 3 and name HZ3) (residue 6 and name HD2#) 3.4 1.6 2.6
assign (residue 3 and name HZ3) (residue 7 and name HB#) 3.4 1.6 2.6
!assign (residue 3 and name HZ3) (residue 5 and name HB#) 3.4 1.6 2.6 !7.4
assign (residue 10 and name HA) (residue 7 and name HA) 3.4 1.6 2.1
assign (residue 10 and name HA) (residue 6 and name HA) 3.4 1.6 2.1
! st 2.2 0.4 0.6 | st mt 2.2 0.4 1.3
! md 2.6 0.8 0.9 | md mt 2.6 0.8 1.4
! wk 3.4 1.6 2.1 | wk mt 3.4 1.6 2.6
! vw 3.4 1.6 2.6 | vw mt 3.4 1.6 3.1
!
! Modifications
!
!N-terminal AA
assign (residue 1 and name HA1) (residue 1 and name HN) 2.2 0.4 0.6
assign (residue 1 and name HA2) (residue 1 and name HN) 2.2 0.4 0.6
assign (residue 1 and name HA1) (residue 2 and name HN) 2.2 0.4 0.6
assign (residue 1 and name HA2) (residue 2 and name HN) 2.2 0.4 0.6
assign (residue 3 and name HE1) (residue 1 and name HA1) 3.4 1.6 2.1
assign (residue 3 and name HE1) (residue 1 and name HA2) 3.4 1.6 2.1
assign (residue 3 and name HE1) (residue 1 and name HN) 3.4 1.6 2.1
assign (residue 4 and name HN) (residue 1 and name HA1) 3.4 1.6 2.6
assign (residue 4 and name HN) (residue 1 and name HA2) 3.4 1.6 2.6
assign (residue 1 and name HA1) (residue 1 and name HA2) 2.6 0.8 0.9
assign (residue 1 and name HN) (residue 2 and name HN) 2.6 0.8 0.9
assign (residue 3 and name HN) (residue 1 and name HA1) 3.4 1.6 2.1
assign (residue 3 and name HN) (residue 1 and name HA2) 3.4 1.6 2.1
!assign (residue 1 and name HA1) (residue 3 and name HE1) 2.6 0.8 0.9
!assign (residue 1 and name HA2) (residue 3 and name HE1) 2.6 0.8 0.9 !3.8
assign (residue 4 and name HB#) (residue 1 and name HN) 3.4 1.6 2.1 !5.5/4.3
assign (residue 4 and name HG) (residue 1 and name HN) 2.6 0.8 0.9
assign (residue 2 and name HD1) ((residue 1 and name HA1) OR (residue 1 and name HA2)) 3.4 1.6 2.6
!
!Chiral and prochiral
!
assign (residue 3 and name HN) ((residue 3 and name HB1) OR (residue 3 and name HB2)) 2.2 0.4 0.6 !2.4/3.6
assign (residue 3 and name HE1) ((residue 3 and name HB1) OR (residue 3 and name HB2)) 3.4 1.6 2.6 !4.7/5.2
assign (residue 18 and name HN) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 2.2 0.4 0.6
assign (residue 18 and name HN) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 3.4 1.6 2.6
assign (residue 14 and name HA) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 3.4 1.6 2.6
assign (residue 14 and name HA) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 3.4 1.6 2.1
assign (residue 16 and name HN) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 3.4 1.6 2.6
assign (residue 17 and name HE3) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 3.4 1.6 2.1
assign (residue 17 and name HE3) ((residue 17 and name HB1) OR (residue 17 and name HB2)) 2.6 0.8 0.9
assign (residue 17 and name HE3) ((residue 18 and name HB1) OR (residue 18 and name HB2)) 3.4 1.6 2.1
assign (residue 17 and name HZ3) ((residue 18 and name HB1) OR (residue 18 and name HB2)) 3.4 1.6 2.6
assign (residue 4 and name HB#) ((residue 4 and name HD1#) OR (residue 4 and name HD2#)) 2.2 0.4 0.6 !2.5-3.4
assign (residue 6 and name HA) ((residue 6 and name HD1#) OR (residue 6 and name HD2#)) 2.2 0.4 1.3
assign (residue 6 and name HA) ((residue 6 and name HD1#) OR (residue 6 and name HD2#)) 2.6 0.8 1.4
assign (residue 2 and name HE3) ((residue 6 and name HD1#) OR (residue 6 and name HD2#)) 3.4 1.6 3.1
assign (residue 8 and name HA) ((residue 8 and name HD1#) OR (residue 8 and name HD2#)) 3.4 1.6 2.6
assign (residue 18 and name HE1) ((residue 14 and name HD1#) OR (residue 14 and name HD2#)) 3.4 1.6 3.1
assign (residue 6 and name HD1#) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.6 0.8 1.4
assign (residue 6 and name HD2#) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.6 0.8 1.4
assign (residue 19 and name HN) ((residue 16 and name HD1#) OR (residue 16 and name HD2#)) 3.4 1.6 3.1
assign (residue 16 and name HA) ((residue 16 and name HD1#) OR (residue 16 and name HD2#)) 2.6 0.8 1.4
assign (residue 10 and name HG#) ((residue 6 and name HD1#) OR (residue 6 and name HD2#)) 3.4 1.6 2.6
assign (residue 10 and name HG#) ((residue 6 and name HD1#) OR (residue 6 and name HD2#)) 3.4 1.6 3.1
assign (residue 17 and name HZ3) ((residue 14 and name HD1#) OR (residue 14 and name HD2#)) 3.4 1.6 2.6
assign (residue 17 and name HZ3) ((residue 14 and name HD1#) OR (residue 14 and name HD2#)) 3.4 1.6 3.1
! st 2.2 0.4 0.6 | st mt 2.2 0.4 1.3
! md 2.6 0.8 0.9 | md mt 2.6 0.8 1.4
! wk 3.4 1.6 2.1 | wk mt 3.4 1.6 2.6
! vw 3.4 1.6 2.6 | vw mt 3.4 1.6 3.1
!
! Resolved
!
! Leu 4: HD1, HD2
! Leu 6: HB1, HB2
! Leu 16: HB1, HB2
!assign (residue 3 and name HE3) ((residue 4 and name HD1#) OR (residue 4 and name HD2#)) 3.4 1.6 2.6
assign (residue 3 and name HE3) (residue 4 and name HD2#) 3.4 1.6 2.6 !6.4
!assign (residue 3 and name HE3) ((residue 4 and name HD1#) OR (residue 4 and name HD2#)) 3.4 1.6 3.1
assign (residue 3 and name HE3) (residue 4 and name HD1#) 3.4 1.6 3.1 !5.3
!assign (residue 6 and name HG) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.2 0.4 0.6
assign (residue 6 and name HG) (residue 6 and name HB1) 2.2 0.4 0.6
!assign (residue 6 and name HG) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.6 0.8 1.4
assign (residue 6 and name HG) (residue 6 and name HB2) 2.6 0.8 1.4
!assign (residue 13 and name HA) ((residue 16 and name HB1) OR (residue 16 and name HB2)) 2.6 0.8 1.4
assign (residue 13 and name HA) (residue 16 and name HB2) 2.6 0.8 1.4
!assign (residue 7 and name HN) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.2 0.4 0.6
assign (residue 7 and name HN) (residue 6 and name HB2) 2.2 0.4 0.6
!assign (residue 17 and name HN) ((residue 16 and name HB1) OR (residue 16 and name HB2)) 2.2 0.4 0.6
assign (residue 17 and name HN) (residue 16 and name HB2) 2.2 0.4 0.6
!assign (residue 13 and name HA) ((residue 16 and name HD1#) OR (residue 16 and name HD2#)) 3.4 1.6 2.6
assign (residue 13 and name HA) (residue 16 and name HD2#) 3.4 1.6 2.6
assign (residue 13 and name HA) (residue 16 and name HD1#) 3.4 1.6 2.6
!assign (residue 17 and name HN) ((residue 16 and name HD1#) OR (residue 16 and name HD2#)) 2.6 0.8 1.4
assign (residue 17 and name HN) (residue 16 and name HD1#) 2.6 0.8 1.4
!assign (residue 1 and name HN) ((residue 4 and name HD1#) OR (residue 4 and name HD2#)) 2.6 0.8 1.4
assign (residue 4 and name HD1#) (residue 1 and name HN) 2.6 0.8 1.4
assign (residue 4 and name HD2#) (residue 1 and name HN) 3.4 1.6 2.6
!assign (residue 6 and name HA) ((residue 6 and name HB1) OR (residue 6 and name HB2)) 2.2 0.4 0.6
assign (residue 6 and name HA) (residue 6 and name HB2) 2.2 0.4 0.6
!assign (residue 16 and name HA) ((residue 16 and name HB1) OR (residue 16 and name HB2)) 2.2 0.4 0.6
assign (residue 16 and name HA) (residue 16 and name HB1) 2.2 0.4 0.6
!assign (residue 16 and name HD#) ((residue 16 and name HB1) OR (residue 16 and name HB2)) 2.6 0.8 1.4
assign (residue 16 and name HD#) (residue 16 and name HB2) 2.6 0.8 1.4
!assign (residue 16 and name HN) ((residue 16 and name HD1#) OR (residue 16 and name HD2#)) 2.2 0.4 1.3
!Two peaks overlapping:
assign (residue 16 and name HN) (residue 16 and name HD1#) 2.6 0.8 1.4
assign (residue 16 and name HN) (residue 16 and name HD2#) 2.6 0.8 1.4
!
!
!
assign (residue 0 and name HA#) (residue 3 and name HE1) 2.6 0.8 1.4
assign (residue 0 and name HA#) (residue 3 and name HD1) 3.4 1.6 2.6
assign (residue 0 and name HA#) (residue 1 and name HN) 2.2 0.4 1.3
assign (residue 0 and name HA#) (residue 3 and name HD1) 3.4 1.6 2.6
assign (residue 0 and name HA#) (residue 4 and name HN) 3.4 1.6 3.1
assign (residue 0 and name HA#) (residue 3 and name HZ2) 3.4 1.6 2.6
assign (residue 19 and name HB#) (residue 20 and name HN) 2.6 0.8 1.4
assign (residue 19 and name HA) (residue 20 and name HN) 2.6 0.8 0.9
assign (residue 16 and name HA) (residue 20 and name HN) 3.4 1.6 2.1
assign (residue 17 and name HA) (residue 20 and name HN) 3.4 1.6 2.1
assign (residue 16 and name HD#) (residue 20 and name HN) 3.4 1.6 2.6
assign (residue 20 and name HB#) (residue 20 and name HN) 2.6 0.8 0.9
assign (residue 20 and name HA#) (residue 20 and name HN) 2.6 0.8 0.9
assign (residue 20 and name HG) (residue 20 and name HN) 2.6 0.8 0.9
assign (residue 20 and name HB#) (residue 20 and name HA#) 2.2 0.4 0.6
assign (residue 19 and name HN) (residue 20 and name HN) 2.2 0.4 0.6
assign (residue 18 and name HN) (residue 20 and name HN) 3.4 1.6 2.6
!
assign (residue 18 and name HB1) (residue 15 and name HB#) 3.4 1.6 3.1
assign (residue 18 and name HB1) (residue 19 and name HB#) 3.4 1.6 3.1
assign (residue 18 and name HB2) (residue 15 and name HB#) 3.4 1.6 2.6
assign (residue 18 and name HB2) (residue 19 and name HB#) 3.4 1.6 2.6
assign (residue 19 and name HB#) ((residue 20 and name HB1) OR (residue 20 and name HB2)) 3.4 1.6 3.1
assign (residue 19 and name HB#) ((residue 20 and name HA1) OR (residue 20 and name HA2)) 3.4 1.6 3.1
assign (residue 2 and name HB1) (residue 5 and name HB#) 3.4 1.6 3.1
assign (residue 2 and name HB2) (residue 5 and name HB#) 3.4 1.6 3.1
assign (residue 3 and name HB1) (residue 5 and name HB#) 3.4 1.6 3.1
assign (residue 18 and name HB1) (residue 14 and name HD1#) 3.4 1.6 3.1
assign (residue 3 and name HA) (residue 6 and name HB2) 2.6 0.8 0.9
! 1. W 2 Phi -62.00 +/- 6.00 (-68.00 to -56.00)

assign (resid   1 and name  C) (resid   2 and name  N) 
       (resid   2 and name CA) (resid   2 and name  C) 1.0   -62.00     6.00 2

! 2. W 3 Phi -69.50 +/- 26.77 (-96.27 to -42.72)

assign (resid   2 and name  C) (resid   3 and name  N) 
       (resid   3 and name CA) (resid   3 and name  C) 1.0   -69.50    26.77 2

! 3. L 4 Phi -63.59 +/- 7.47 (-71.05 to -56.12)

assign (resid   3 and name  C) (resid   4 and name  N) 
       (resid   4 and name CA) (resid   4 and name  C) 1.0   -63.59     7.47 2

! 4. A 5 Phi -68.36 +/- 19.82 (-88.18 to -48.54)

assign (resid   4 and name  C) (resid   5 and name  N) 
       (resid   5 and name CA) (resid   5 and name  C) 1.0   -68.36    19.82 2

! 5. L 6 Phi -69.83 +/- 25.40 (-95.23 to -44.43)

assign (resid   5 and name  C) (resid   6 and name  N) 
       (resid   6 and name CA) (resid   6 and name  C) 1.0   -69.83    25.40 2

! 6. A 7 Phi -83.00 +/- 30.00 (-113.00 to -53.00)

assign (resid   6 and name  C) (resid   7 and name  N) 
       (resid   7 and name CA) (resid   7 and name  C) 1.0   -83.00    30.00 2

! 7. L 8 Phi -79.00 +/- 30.00 (-109.00 to -49.00)

assign (resid   7 and name  C) (resid   8 and name  N) 
       (resid   8 and name CA) (resid   8 and name  C) 1.0   -79.00    30.00 2

! 8. A 11 Phi -71.00 +/- 40.00 (-111.00 to -31.00)

assign (resid  10 and name  C) (resid  11 and name  N) 
       (resid  11 and name CA) (resid  11 and name  C) 1.0   -71.00    40.00 2

! 9. L 12 Phi -67.00 +/- 6.00 (-73.00 to -61.00)

assign (resid  11 and name  C) (resid  12 and name  N) 
       (resid  12 and name CA) (resid  12 and name  C) 1.0   -67.00     6.00 2

! 10. A 13 Phi -67.44 +/- 21.48 (-88.92 to -45.96)

assign (resid  12 and name  C) (resid  13 and name  N) 
       (resid  13 and name CA) (resid  13 and name  C) 1.0   -67.44    21.48 2

! 11. L 14 Phi -67.00 +/- 16.00 (-83.00 to -51.00)

assign (resid  13 and name  C) (resid  14 and name  N) 
       (resid  14 and name CA) (resid  14 and name  C) 1.0   -67.00    16.00 2

! 12. A 15 Phi -67.51 +/- 13.46 (-80.97 to -54.05)

assign (resid  14 and name  C) (resid  15 and name  N) 
       (resid  15 and name CA) (resid  15 and name  C) 1.0   -67.51    13.46 2

! 13. L 16 Phi -63.57 +/- 9.33 (-72.90 to -54.24)

assign (resid  15 and name  C) (resid  16 and name  N) 
       (resid  16 and name CA) (resid  16 and name  C) 1.0   -63.57     9.33 2

! 14. W 17 Phi -64.32 +/- 9.88 (-74.20 to -54.44)

assign (resid  16 and name  C) (resid  17 and name  N) 
       (resid  17 and name CA) (resid  17 and name  C) 1.0   -64.32     9.88 2

! 15. W 18 Phi -61.00 +/- 8.00 (-69.00 to -53.00)

assign (resid  17 and name  C) (resid  18 and name  N) 
       (resid  18 and name CA) (resid  18 and name  C) 1.0   -61.00     8.00 2


! 16. W 2 Psi -43.00 +/- 10.00 (-53.00 to -33.00)

assign (resid   2 and name  N) (resid   2 and name CA) 
       (resid   2 and name  C) (resid   3 and name  N) 1.0   -43.00    10.00 2

! 17. W 3 Psi -35.94 +/- 33.34 (-69.28 to -2.61)

assign (resid   3 and name  N) (resid   3 and name CA) 
       (resid   3 and name  C) (resid   4 and name  N) 1.0   -35.94    33.34 2

! 18. L 4 Psi -39.03 +/- 15.63 (-54.66 to -23.40)

assign (resid   4 and name  N) (resid   4 and name CA) 
       (resid   4 and name  C) (resid   5 and name  N) 1.0   -39.03    15.63 2

! 19. A 5 Psi -30.81 +/- 29.32 (-60.13 to -1.49)

assign (resid   5 and name  N) (resid   5 and name CA) 
       (resid   5 and name  C) (resid   6 and name  N) 1.0   -30.81    29.32 2

! 20. L 6 Psi -29.79 +/- 26.65 (-56.44 to -3.15)

assign (resid   6 and name  N) (resid   6 and name CA) 
       (resid   6 and name  C) (resid   7 and name  N) 1.0   -29.79    26.65 2

! 21. A 7 Psi -20.00 +/- 50.00 (-70.00 to 30.00)

assign (resid   7 and name  N) (resid   7 and name CA) 
       (resid   7 and name  C) (resid   8 and name  N) 1.0   -20.00    50.00 2

! 22. L 8 Psi -17.00 +/- 48.00 (-65.00 to 31.00)

assign (resid   8 and name  N) (resid   8 and name CA) 
       (resid   8 and name  C) (resid   9 and name  N) 1.0   -17.00    48.00 2

! 23. A 11 Psi -20.00 +/- 46.00 (-66.00 to 26.00)

assign (resid  11 and name  N) (resid  11 and name CA) 
       (resid  11 and name  C) (resid  12 and name  N) 1.0   -20.00    46.00 2

! 24. L 12 Psi -37.00 +/- 20.00 (-57.00 to -17.00)

assign (resid  12 and name  N) (resid  12 and name CA) 
       (resid  12 and name  C) (resid  13 and name  N) 1.0   -37.00    20.00 2

! 25. A 13 Psi -32.87 +/- 41.75 (-74.62 to 8.88)

assign (resid  13 and name  N) (resid  13 and name CA) 
       (resid  13 and name  C) (resid  14 and name  N) 1.0   -32.87    41.75 2

! 26. L 14 Psi -37.00 +/- 24.00 (-61.00 to -13.00)

assign (resid  14 and name  N) (resid  14 and name CA) 
       (resid  14 and name  C) (resid  15 and name  N) 1.0   -37.00    24.00 2

! 27. A 15 Psi -41.50 +/- 13.65 (-55.14 to -27.85)

assign (resid  15 and name  N) (resid  15 and name CA) 
       (resid  15 and name  C) (resid  16 and name  N) 1.0   -41.50    13.65 2

! 28. L 16 Psi -40.70 +/- 12.76 (-53.46 to -27.94)

assign (resid  16 and name  N) (resid  16 and name CA) 
       (resid  16 and name  C) (resid  17 and name  N) 1.0   -40.70    12.76 2

! 29. W 17 Psi -44.39 +/- 8.45 (-52.84 to -35.95)

assign (resid  17 and name  N) (resid  17 and name CA) 
       (resid  17 and name  C) (resid  18 and name  N) 1.0   -44.39     8.45 2

! 30. W 18 Psi -44.00 +/- 8.00 (-52.00 to -36.00)

assign (resid  18 and name  N) (resid  18 and name CA) 
       (resid  18 and name  C) (resid  19 and name  N) 1.0   -44.00     8.00 2

19 N 19 HN 9.86 7.4 sign 1 error 0.5
12 N 12 HN 9.86 7.0 sign 1 error 0.5
15 N 15 HN 9.86 7.0 sign 1 error 0.5
16 N 16 HN 9.86 6.6 sign 1 error 0.5
17 N 17 HN 9.86 5.4 sign 1 error 0.5
18 N 18 HN 9.86 5.5 sign 1 error 0.5
#2 N 2 HN 7.00 5.2 sign 1 error 2.0
3 N 3 HN 7.00 6.2 sign 1 error 1.0
4 N 4 HN 7.00 5.2 sign 1 error 1.0
5 N 5 HN 7.00 4.0 sign 1 error 1.0
6 N 6 HN 7.00 5.2 sign 1 error 1.0
7 N 7 HN 7.00 5.8 sign 1 error 1.0
8 N 8 HN 7.00 4.8 sign 1 error 1.0
9 N 9 HN 7.00 4.2 sign 1 error 1.0
10 N 10 HN 7.00 5.2 sign 1 error 2.0
13 N 13 HN 9.86 6.0 sign 1 error 0.5
14 N 14 HN 9.86 5.4 sign 1 error 0.5
#Szz = 0.78 for N- and 0.87 for C-

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   0           HA2      ACE   0  16.336  -6.387  12.711
    2    H2   ACE   0           HA3      ACE   0  15.096  -7.406  11.978
    3    H3   ACE   0           HA1      ACE   0  15.800  -7.853  13.531
    4    H    GLY   1           HN       GLY   1  14.294  -4.903  12.130
    5    HA2  GLY   1           HA2      GLY   1  12.237  -4.911  14.158
    6    HA3  GLY   1           HA1      GLY   1  13.384  -3.582  14.232
    7    H    TRP   2           HN       TRP   2  12.386  -1.938  13.556
    8    HA   TRP   2           HA       TRP   2  10.268  -1.829  11.722
    9    HB2  TRP   2           HB2      TRP   2  10.138   0.241  12.696
   10    HB3  TRP   2           HB1      TRP   2  11.733   0.013  13.380
   11    HD1  TRP   2           HD1      TRP   2  13.667   1.271  12.344
   12    HE1  TRP   2           HE1      TRP   2  13.888   3.052  10.466
   13    HE3  TRP   2           HE3      TRP   2   9.021   0.949  10.313
   14    HZ2  TRP   2           HZ2      TRP   2  12.274   4.163   8.386
   15    HZ3  TRP   2           HZ3      TRP   2   8.375   2.369   8.389
   16    HH2  TRP   2           HH2      TRP   2   9.995   3.978   7.422
   17    H    TRP   3           HN       TRP   3  13.783  -1.654  11.190
   18    HA   TRP   3           HA       TRP   3  13.898  -0.581   8.672
   19    HB2  TRP   3           HB2      TRP   3  16.066  -1.438   8.599
   20    HB3  TRP   3           HB1      TRP   3  15.744  -1.469  10.320
   21    HD1  TRP   3           HD1      TRP   3  15.520  -3.768  11.462
   22    HE1  TRP   3           HE1      TRP   3  16.039  -6.190  10.714
   23    HE3  TRP   3           HE3      TRP   3  16.057  -3.020   6.468
   24    HZ2  TRP   3           HZ2      TRP   3  16.605  -7.598   8.297
   25    HZ3  TRP   3           HZ3      TRP   3  16.584  -4.899   4.953
   26    HH2  TRP   3           HH2      TRP   3  16.859  -7.185   5.860
   27    H    LEU   4           HN       LEU   4  11.907  -3.156   9.353
   28    HA   LEU   4           HA       LEU   4  12.440  -4.784   7.080
   29    HB2  LEU   4           HB2      LEU   4  10.171  -4.506   9.025
   30    HB3  LEU   4           HB1      LEU   4   9.970  -5.512   7.594
   31    HG   LEU   4           HG       LEU   4  12.407  -5.884   9.354
   32   HD11  LEU   4          HD11      LEU   4  11.224  -7.548  10.674
   33   HD12  LEU   4          HD12      LEU   4   9.733  -7.238   9.785
   34   HD13  LEU   4          HD13      LEU   4  10.408  -5.994  10.832
   35   HD21  LEU   4          HD21      LEU   4  10.778  -7.704   7.539
   36   HD22  LEU   4          HD22      LEU   4  12.128  -8.247   8.530
   37   HD23  LEU   4          HD23      LEU   4  12.404  -7.095   7.230
   38    H    ALA   5           HN       ALA   5  10.826  -1.810   7.631
   39    HA   ALA   5           HA       ALA   5   9.058  -1.808   5.405
   40    HB1  ALA   5           HB1      ALA   5   8.757   0.512   5.860
   41    HB2  ALA   5           HB2      ALA   5  10.314   0.626   6.684
   42    HB3  ALA   5           HB3      ALA   5   8.984  -0.265   7.427
   43    H    LEU   6           HN       LEU   6  12.434  -1.604   5.644
   44    HA   LEU   6           HA       LEU   6  12.843  -0.055   3.222
   45    HB2  LEU   6           HB2      LEU   6  14.635  -1.380   5.202
   46    HB3  LEU   6           HB1      LEU   6  15.269  -0.672   3.736
   47    HG   LEU   6           HG       LEU   6  13.519   0.941   5.571
   48   HD11  LEU   6          HD11      LEU   6  15.349   0.037   6.943
   49   HD12  LEU   6          HD12      LEU   6  15.542   1.771   6.699
   50   HD13  LEU   6          HD13      LEU   6  16.521   0.633   5.773
   51   HD21  LEU   6          HD21      LEU   6  14.944   2.801   4.616
   52   HD22  LEU   6          HD22      LEU   6  13.968   1.968   3.413
   53   HD23  LEU   6          HD23      LEU   6  15.688   1.609   3.553
   54    H    ALA   7           HN       ALA   7  12.584  -3.296   4.279
   55    HA   ALA   7           HA       ALA   7  13.977  -4.522   2.096
   56    HB1  ALA   7           HB1      ALA   7  12.011  -5.610   4.116
   57    HB2  ALA   7           HB2      ALA   7  13.769  -5.734   4.174
   58    HB3  ALA   7           HB3      ALA   7  12.863  -6.604   2.935
   59    H    LEU   8           HN       LEU   8  10.884  -3.156   2.573
   60    HA   LEU   8           HA       LEU   8   9.415  -4.662   0.652
   61    HB2  LEU   8           HB2      LEU   8   8.862  -1.838   1.546
   62    HB3  LEU   8           HB1      LEU   8   7.710  -3.012   0.907
   63    HG   LEU   8           HG       LEU   8   9.232  -3.287   3.516
   64   HD11  LEU   8          HD11      LEU   8   6.318  -2.671   2.937
   65   HD12  LEU   8          HD12      LEU   8   7.499  -1.554   3.620
   66   HD13  LEU   8          HD13      LEU   8   6.990  -2.970   4.540
   67   HD21  LEU   8          HD21      LEU   8   7.437  -5.166   3.789
   68   HD22  LEU   8          HD22      LEU   8   8.819  -5.497   2.752
   69   HD23  LEU   8          HD23      LEU   8   7.269  -5.060   2.035
   70    H    ALA   9           HN       ALA   9  11.569  -1.903   0.477
   71    HA   ALA   9           HA       ALA   9  11.753  -2.116  -2.356
   72    HB1  ALA   9           HB1      ALA   9   9.628  -1.046  -2.446
   73    HB2  ALA   9           HB2      ALA   9  10.827   0.187  -2.839
   74    HB3  ALA   9           HB3      ALA   9  10.103   0.140  -1.232
   75    HA   PRO  10           HA       PRO  10  15.246  -0.165   0.178
   76    HB2  PRO  10           HB2      PRO  10  16.615  -1.819  -1.920
   77    HB3  PRO  10           HB1      PRO  10  17.063  -1.572  -0.216
   78    HG2  PRO  10           HG2      PRO  10  15.913  -3.830  -0.975
   79    HG3  PRO  10           HG1      PRO  10  15.459  -3.060   0.560
   80    HD2  PRO  10           HD2      PRO  10  13.925  -3.154  -2.007
   81    HD3  PRO  10           HD1      PRO  10  13.317  -3.120  -0.335
   82    H    ALA  11           HN       ALA  11  17.152   1.103  -0.869
   83    HA   ALA  11           HA       ALA  11  16.121   3.033  -2.645
   84    HB1  ALA  11           HB1      ALA  11  18.955   2.357  -1.854
   85    HB2  ALA  11           HB2      ALA  11  17.945   3.665  -1.236
   86    HB3  ALA  11           HB3      ALA  11  18.545   3.719  -2.896
   87    H    LEU  12           HN       LEU  12  17.071  -0.102  -3.263
   88    HA   LEU  12           HA       LEU  12  18.430   0.094  -5.716
   89    HB2  LEU  12           HB2      LEU  12  16.586  -2.009  -4.589
   90    HB3  LEU  12           HB1      LEU  12  17.338  -2.200  -6.167
   91    HG   LEU  12           HG       LEU  12  19.037  -1.530  -3.754
   92   HD11  LEU  12          HD11      LEU  12  19.436  -4.006  -3.519
   93   HD12  LEU  12          HD12      LEU  12  18.069  -4.275  -4.601
   94   HD13  LEU  12          HD13      LEU  12  17.817  -3.493  -3.041
   95   HD21  LEU  12          HD21      LEU  12  20.198  -1.410  -5.881
   96   HD22  LEU  12          HD22      LEU  12  19.522  -2.951  -6.404
   97   HD23  LEU  12          HD23      LEU  12  20.701  -2.904  -5.099
   98    H    ALA  13           HN       ALA  13  14.932  -0.527  -5.223
   99    HA   ALA  13           HA       ALA  13  14.140  -0.279  -7.867
  100    HB1  ALA  13           HB1      ALA  13  12.585  -1.065  -6.208
  101    HB2  ALA  13           HB2      ALA  13  11.908   0.396  -6.930
  102    HB3  ALA  13           HB3      ALA  13  12.665   0.467  -5.338
  103    H    LEU  14           HN       LEU  14  15.056   2.187  -5.611
  104    HA   LEU  14           HA       LEU  14  13.959   4.369  -7.144
  105    HB2  LEU  14           HB2      LEU  14  14.105   4.807  -4.826
  106    HB3  LEU  14           HB1      LEU  14  15.719   4.131  -4.704
  107    HG   LEU  14           HG       LEU  14  16.654   6.058  -5.901
  108   HD11  LEU  14          HD11      LEU  14  13.746   6.875  -6.119
  109   HD12  LEU  14          HD12      LEU  14  14.880   6.577  -7.430
  110   HD13  LEU  14          HD13      LEU  14  15.087   7.985  -6.397
  111   HD21  LEU  14          HD21      LEU  14  14.706   6.952  -3.752
  112   HD22  LEU  14          HD22      LEU  14  16.187   7.783  -4.233
  113   HD23  LEU  14          HD23      LEU  14  16.275   6.209  -3.441
  114    H    ALA  15           HN       ALA  15  17.275   3.249  -6.417
  115    HA   ALA  15           HA       ALA  15  18.545   4.964  -8.246
  116    HB1  ALA  15           HB1      ALA  15  19.365   2.275  -7.139
  117    HB2  ALA  15           HB2      ALA  15  19.873   3.869  -6.578
  118    HB3  ALA  15           HB3      ALA  15  20.415   3.272  -8.147
  119    H    LEU  16           HN       LEU  16  16.908   1.904  -8.655
  120    HA   LEU  16           HA       LEU  16  17.965   1.185 -11.160
  121    HB2  LEU  16           HB2      LEU  16  15.579   0.448  -9.566
  122    HB3  LEU  16           HB1      LEU  16  15.354   0.230 -11.294
  123    HG   LEU  16           HG       LEU  16  17.510  -1.096 -11.317
  124   HD11  LEU  16          HD11      LEU  16  18.201  -0.034  -9.031
  125   HD12  LEU  16          HD12      LEU  16  18.581  -1.730  -9.326
  126   HD13  LEU  16          HD13      LEU  16  17.199  -1.301  -8.325
  127   HD21  LEU  16          HD21      LEU  16  16.449  -3.102 -10.205
  128   HD22  LEU  16          HD22      LEU  16  15.378  -2.258 -11.324
  129   HD23  LEU  16          HD23      LEU  16  15.195  -2.027  -9.585
  130    H    TRP  17           HN       TRP  17  14.954   2.998 -10.439
  131    HA   TRP  17           HA       TRP  17  14.621   3.646 -13.219
  132    HB2  TRP  17           HB2      TRP  17  12.551   3.573 -12.189
  133    HB3  TRP  17           HB1      TRP  17  13.193   4.150 -10.654
  134    HD1  TRP  17           HD1      TRP  17  11.586   5.371 -13.869
  135    HE1  TRP  17           HE1      TRP  17  11.180   7.925 -13.646
  136    HE3  TRP  17           HE3      TRP  17  14.151   6.246  -9.617
  137    HZ2  TRP  17           HZ2      TRP  17  11.889  10.051 -11.851
  138    HZ3  TRP  17           HZ3      TRP  17  14.301   8.481  -8.650
  139    HH2  TRP  17           HH2      TRP  17  13.175  10.421  -9.745
  140    H    TRP  18           HN       TRP  18  15.728   5.573 -10.357
  141    HA   TRP  18           HA       TRP  18  16.029   8.020 -11.621
  142    HB2  TRP  18           HB2      TRP  18  16.403   7.668  -9.222
  143    HB3  TRP  18           HB1      TRP  18  17.832   6.742  -9.585
  144    HD1  TRP  18           HD1      TRP  18  16.619  10.142 -10.841
  145    HE1  TRP  18           HE1      TRP  18  18.556  11.836 -10.592
  146    HE3  TRP  18           HE3      TRP  18  20.088   7.113  -8.733
  147    HZ2  TRP  18           HZ2      TRP  18  21.255  11.863  -9.605
  148    HZ3  TRP  18           HZ3      TRP  18  22.326   7.967  -8.141
  149    HH2  TRP  18           HH2      TRP  18  22.924  10.340  -8.573
  150    H    ALA  19           HN       ALA  19  18.457   5.475 -11.233
  151    HA   ALA  19           HA       ALA  19  20.285   6.723 -13.080
  152    HB1  ALA  19           HB1      ALA  19  20.907   5.283 -11.055
  153    HB2  ALA  19           HB2      ALA  19  21.779   4.970 -12.556
  154    HB3  ALA  19           HB3      ALA  19  20.473   3.896 -12.055
  155    HA1  ETA  20           HA1      ETA  20  16.535   3.953 -15.310
  156    HA2  ETA  20           HA2      ETA  20  18.132   3.281 -15.630
  157    HN2  ETA  20           HN       ETA  20  17.473   5.146 -13.571
  158    HB1  ETA  20           HB1      ETA  20  17.099   4.698 -17.491
  159    HB2  ETA  20           HB2      ETA  20  18.727   5.145 -17.000
  160    HO   ETA  20           HG       ETA  20  17.358   6.515 -15.390
  Start of MODEL    2
    1    H1   ACE   0           HA2      ACE   0  14.342  -9.396  12.725
    2    H2   ACE   0           HA3      ACE   0  15.381  -7.972  12.663
    3    H3   ACE   0           HA1      ACE   0  14.204  -8.263  11.381
    4    H    GLY   1           HN       GLY   1  13.495  -6.015  11.946
    5    HA2  GLY   1           HA2      GLY   1  11.319  -6.089  13.863
    6    HA3  GLY   1           HA1      GLY   1  12.573  -4.887  14.131
    7    H    TRP   2           HN       TRP   2  11.747  -3.084  13.610
    8    HA   TRP   2           HA       TRP   2   9.827  -2.664  11.552
    9    HB2  TRP   2           HB2      TRP   2   9.476  -0.844  12.904
   10    HB3  TRP   2           HB1      TRP   2  10.980  -1.165  13.743
   11    HD1  TRP   2           HD1      TRP   2  12.891   0.404  13.345
   12    HE1  TRP   2           HE1      TRP   2  13.306   2.471  11.828
   13    HE3  TRP   2           HE3      TRP   2   8.763   0.137  10.392
   14    HZ2  TRP   2           HZ2      TRP   2  12.025   3.805   9.647
   15    HZ3  TRP   2           HZ3      TRP   2   8.371   1.807   8.603
   16    HH2  TRP   2           HH2      TRP   2   9.996   3.641   8.226
   17    H    TRP   3           HN       TRP   3  13.327  -2.534  11.701
   18    HA   TRP   3           HA       TRP   3  13.947  -0.955   9.514
   19    HB2  TRP   3           HB2      TRP   3  16.070  -1.935   9.604
   20    HB3  TRP   3           HB1      TRP   3  15.468  -2.180  11.234
   21    HD1  TRP   3           HD1      TRP   3  14.960  -4.597  11.983
   22    HE1  TRP   3           HE1      TRP   3  15.502  -6.918  10.982
   23    HE3  TRP   3           HE3      TRP   3  16.349  -3.211   7.302
   24    HZ2  TRP   3           HZ2      TRP   3  16.408  -8.022   8.512
   25    HZ3  TRP   3           HZ3      TRP   3  17.049  -4.895   5.636
   26    HH2  TRP   3           HH2      TRP   3  17.081  -7.297   6.231
   27    H    LEU   4           HN       LEU   4  11.923  -3.624   9.369
   28    HA   LEU   4           HA       LEU   4  12.820  -4.800   6.976
   29    HB2  LEU   4           HB2      LEU   4  10.131  -4.598   8.310
   30    HB3  LEU   4           HB1      LEU   4  10.243  -5.286   6.691
   31    HG   LEU   4           HG       LEU   4  12.100  -6.293   8.858
   32   HD11  LEU   4          HD11      LEU   4   9.830  -6.407   9.818
   33   HD12  LEU   4          HD12      LEU   4  10.456  -8.014   9.455
   34   HD13  LEU   4          HD13      LEU   4   9.269  -7.268   8.385
   35   HD21  LEU   4          HD21      LEU   4  12.482  -7.057   6.543
   36   HD22  LEU   4          HD22      LEU   4  10.800  -7.563   6.418
   37   HD23  LEU   4          HD23      LEU   4  11.889  -8.395   7.525
   38    H    ALA   5           HN       ALA   5  10.555  -2.098   7.534
   39    HA   ALA   5           HA       ALA   5   9.737  -1.476   5.033
   40    HB1  ALA   5           HB1      ALA   5   9.549   0.814   5.739
   41    HB2  ALA   5           HB2      ALA   5  10.768   0.576   6.994
   42    HB3  ALA   5           HB3      ALA   5   9.200  -0.222   7.123
   43    H    LEU   6           HN       LEU   6  13.047  -1.367   6.108
   44    HA   LEU   6           HA       LEU   6  13.915   0.470   4.073
   45    HB2  LEU   6           HB2      LEU   6  15.331  -1.289   6.025
   46    HB3  LEU   6           HB1      LEU   6  16.219  -0.441   4.789
   47    HG   LEU   6           HG       LEU   6  14.305   1.049   6.557
   48   HD11  LEU   6          HD11      LEU   6  15.692  -0.071   8.162
   49   HD12  LEU   6          HD12      LEU   6  16.310   1.574   8.015
   50   HD13  LEU   6          HD13      LEU   6  17.144   0.243   7.210
   51   HD21  LEU   6          HD21      LEU   6  15.206   2.303   4.668
   52   HD22  LEU   6          HD22      LEU   6  16.844   1.788   5.062
   53   HD23  LEU   6          HD23      LEU   6  15.983   2.884   6.137
   54    H    ALA   7           HN       ALA   7  13.878  -3.027   4.507
   55    HA   ALA   7           HA       ALA   7  15.193  -3.526   1.980
   56    HB1  ALA   7           HB1      ALA   7  14.737  -5.906   2.517
   57    HB2  ALA   7           HB2      ALA   7  13.853  -5.383   3.952
   58    HB3  ALA   7           HB3      ALA   7  15.582  -5.062   3.814
   59    H    LEU   8           HN       LEU   8  12.078  -2.715   2.907
   60    HA   LEU   8           HA       LEU   8  10.740  -4.184   0.741
   61    HB2  LEU   8           HB2      LEU   8   9.606  -2.424   2.902
   62    HB3  LEU   8           HB1      LEU   8   8.674  -3.391   1.761
   63    HG   LEU   8           HG       LEU   8  10.667  -4.525   3.749
   64   HD11  LEU   8          HD11      LEU   8   7.642  -4.354   3.819
   65   HD12  LEU   8          HD12      LEU   8   8.775  -3.617   4.954
   66   HD13  LEU   8          HD13      LEU   8   8.597  -5.371   4.899
   67   HD21  LEU   8          HD21      LEU   8   8.836  -5.727   1.659
   68   HD22  LEU   8          HD22      LEU   8   9.244  -6.657   3.100
   69   HD23  LEU   8          HD23      LEU   8  10.519  -6.117   2.016
   70    H    ALA   9           HN       ALA   9  11.948  -1.057   1.565
   71    HA   ALA   9           HA       ALA   9  10.996   0.004  -1.003
   72    HB1  ALA   9           HB1      ALA   9  10.300   2.115   0.068
   73    HB2  ALA   9           HB2      ALA   9  10.603   1.401   1.652
   74    HB3  ALA   9           HB3      ALA   9   9.328   0.751   0.620
   75    HA   PRO  10           HA       PRO  10  15.381   1.170   0.379
   76    HB2  PRO  10           HB2      PRO  10  16.826  -0.463  -1.206
   77    HB3  PRO  10           HB1      PRO  10  16.184  -1.021   0.352
   78    HG2  PRO  10           HG2      PRO  10  15.052  -1.421  -2.392
   79    HG3  PRO  10           HG1      PRO  10  15.304  -2.619  -1.100
   80    HD2  PRO  10           HD2      PRO  10  12.879  -1.505  -1.502
   81    HD3  PRO  10           HD1      PRO  10  13.470  -1.893   0.133
   82    H    ALA  11           HN       ALA  11  16.772   2.537  -0.870
   83    HA   ALA  11           HA       ALA  11  15.571   3.939  -2.991
   84    HB1  ALA  11           HB1      ALA  11  17.893   4.884  -3.344
   85    HB2  ALA  11           HB2      ALA  11  18.440   3.806  -2.059
   86    HB3  ALA  11           HB3      ALA  11  17.246   5.058  -1.711
   87    H    LEU  12           HN       LEU  12  16.729   0.853  -3.083
   88    HA   LEU  12           HA       LEU  12  18.237   0.787  -5.461
   89    HB2  LEU  12           HB2      LEU  12  16.382  -1.313  -4.326
   90    HB3  LEU  12           HB1      LEU  12  17.564  -1.595  -5.599
   91    HG   LEU  12           HG       LEU  12  18.409  -0.434  -2.937
   92   HD11  LEU  12          HD11      LEU  12  18.283  -3.383  -3.636
   93   HD12  LEU  12          HD12      LEU  12  17.190  -2.568  -2.518
   94   HD13  LEU  12          HD13      LEU  12  18.909  -2.687  -2.142
   95   HD21  LEU  12          HD21      LEU  12  19.812  -1.973  -5.156
   96   HD22  LEU  12          HD22      LEU  12  20.547  -1.653  -3.591
   97   HD23  LEU  12          HD23      LEU  12  20.117  -0.313  -4.644
   98    H    ALA  13           HN       ALA  13  14.756  -0.025  -5.065
   99    HA   ALA  13           HA       ALA  13  14.126  -0.215  -7.750
  100    HB1  ALA  13           HB1      ALA  13  11.821   0.201  -7.116
  101    HB2  ALA  13           HB2      ALA  13  12.341   0.916  -5.590
  102    HB3  ALA  13           HB3      ALA  13  12.594  -0.804  -5.890
  103    H    LEU  14           HN       LEU  14  14.825   2.597  -5.885
  104    HA   LEU  14           HA       LEU  14  13.638   4.465  -7.746
  105    HB2  LEU  14           HB2      LEU  14  13.646   5.252  -5.520
  106    HB3  LEU  14           HB1      LEU  14  15.277   4.685  -5.224
  107    HG   LEU  14           HG       LEU  14  16.186   6.472  -6.655
  108   HD11  LEU  14          HD11      LEU  14  13.270   7.220  -7.023
  109   HD12  LEU  14          HD12      LEU  14  14.361   6.634  -8.274
  110   HD13  LEU  14          HD13      LEU  14  14.636   8.209  -7.538
  111   HD21  LEU  14          HD21      LEU  14  15.729   8.304  -5.197
  112   HD22  LEU  14          HD22      LEU  14  15.565   6.854  -4.207
  113   HD23  LEU  14          HD23      LEU  14  14.126   7.683  -4.800
  114    H    ALA  15           HN       ALA  15  16.950   3.622  -6.742
  115    HA   ALA  15           HA       ALA  15  18.226   5.157  -8.728
  116    HB1  ALA  15           HB1      ALA  15  19.270   4.108  -6.648
  117    HB2  ALA  15           HB2      ALA  15  20.219   4.011  -8.131
  118    HB3  ALA  15           HB3      ALA  15  19.323   2.601  -7.563
  119    H    LEU  16           HN       LEU  16  16.775   1.981  -8.758
  120    HA   LEU  16           HA       LEU  16  17.988   0.963 -11.079
  121    HB2  LEU  16           HB2      LEU  16  15.549   0.354  -9.509
  122    HB3  LEU  16           HB1      LEU  16  15.450  -0.152 -11.188
  123    HG   LEU  16           HG       LEU  16  17.657  -1.342 -10.870
  124   HD11  LEU  16          HD11      LEU  16  18.156   0.117  -8.756
  125   HD12  LEU  16          HD12      LEU  16  18.637  -1.577  -8.751
  126   HD13  LEU  16          HD13      LEU  16  17.177  -1.078  -7.904
  127   HD21  LEU  16          HD21      LEU  16  15.622  -2.637 -10.802
  128   HD22  LEU  16          HD22      LEU  16  15.261  -2.092  -9.165
  129   HD23  LEU  16          HD23      LEU  16  16.617  -3.182  -9.451
  130    H    TRP  17           HN       TRP  17  14.862   2.697 -10.763
  131    HA   TRP  17           HA       TRP  17  14.634   2.913 -13.622
  132    HB2  TRP  17           HB2      TRP  17  12.519   2.855 -12.687
  133    HB3  TRP  17           HB1      TRP  17  13.046   3.678 -11.222
  134    HD1  TRP  17           HD1      TRP  17  11.542   4.334 -14.644
  135    HE1  TRP  17           HE1      TRP  17  10.983   6.862 -14.805
  136    HE3  TRP  17           HE3      TRP  17  13.834   5.959 -10.451
  137    HZ2  TRP  17           HZ2      TRP  17  11.477   9.262 -13.304
  138    HZ3  TRP  17           HZ3      TRP  17  13.809   8.309  -9.811
  139    HH2  TRP  17           HH2      TRP  17  12.632  10.002 -11.220
  140    H    TRP  18           HN       TRP  18  15.469   5.281 -11.024
  141    HA   TRP  18           HA       TRP  18  15.698   7.556 -12.591
  142    HB2  TRP  18           HB2      TRP  18  15.980   7.539 -10.151
  143    HB3  TRP  18           HB1      TRP  18  17.480   6.676 -10.337
  144    HD1  TRP  18           HD1      TRP  18  16.081   9.802 -12.029
  145    HE1  TRP  18           HE1      TRP  18  17.902  11.640 -11.965
  146    HE3  TRP  18           HE3      TRP  18  19.691   7.280  -9.537
  147    HZ2  TRP  18           HZ2      TRP  18  20.580  11.958 -10.956
  148    HZ3  TRP  18           HZ3      TRP  18  21.857   8.334  -9.026
  149    HH2  TRP  18           HH2      TRP  18  22.319  10.673  -9.729
  150    H    ALA  19           HN       ALA  19  18.223   5.212 -11.794
  151    HA   ALA  19           HA       ALA  19  20.111   6.327 -13.641
  152    HB1  ALA  19           HB1      ALA  19  20.260   3.603 -12.365
  153    HB2  ALA  19           HB2      ALA  19  20.670   5.084 -11.497
  154    HB3  ALA  19           HB3      ALA  19  21.592   4.614 -12.926
  155    HA1  ETA  20           HA1      ETA  20  17.668   1.836 -15.245
  156    HA2  ETA  20           HA2      ETA  20  18.972   2.543 -16.197
  157    HN2  ETA  20           HN       ETA  20  18.086   3.418 -13.590
  158    HB1  ETA  20           HB1      ETA  20  16.169   3.671 -15.890
  159    HB2  ETA  20           HB2      ETA  20  16.793   2.845 -17.312
  160    HO   ETA  20           HG       ETA  20  18.178   5.050 -16.287
  Start of MODEL    3
    1    H1   ACE   0           HA2      ACE   0  14.471  -7.749  11.951
    2    H2   ACE   0           HA3      ACE   0  14.738  -8.617  13.463
    3    H3   ACE   0           HA1      ACE   0  15.723  -7.208  13.071
    4    H    GLY   1           HN       GLY   1  14.055  -5.256  12.383
    5    HA2  GLY   1           HA2      GLY   1  11.882  -5.071  14.336
    6    HA3  GLY   1           HA1      GLY   1  13.161  -3.868  14.351
    7    H    TRP   2           HN       TRP   2  12.286  -2.152  13.647
    8    HA   TRP   2           HA       TRP   2  10.230  -1.977  11.712
    9    HB2  TRP   2           HB2      TRP   2  10.080   0.042  12.787
   10    HB3  TRP   2           HB1      TRP   2  11.670  -0.189  13.480
   11    HD1  TRP   2           HD1      TRP   2  13.587   1.120  12.519
   12    HE1  TRP   2           HE1      TRP   2  13.833   2.920  10.660
   13    HE3  TRP   2           HE3      TRP   2   9.003   0.745  10.361
   14    HZ2  TRP   2           HZ2      TRP   2  12.258   4.024   8.544
   15    HZ3  TRP   2           HZ3      TRP   2   8.387   2.172   8.431
   16    HH2  TRP   2           HH2      TRP   2  10.010   3.812   7.519
   17    H    TRP   3           HN       TRP   3  13.764  -1.919  11.446
   18    HA   TRP   3           HA       TRP   3  14.103  -0.781   8.966
   19    HB2  TRP   3           HB2      TRP   3  16.239  -1.744   9.005
   20    HB3  TRP   3           HB1      TRP   3  15.815  -1.680  10.705
   21    HD1  TRP   3           HD1      TRP   3  15.359  -3.921  11.922
   22    HE1  TRP   3           HE1      TRP   3  15.829  -6.391  11.318
   23    HE3  TRP   3           HE3      TRP   3  16.363  -3.415   6.970
   24    HZ2  TRP   3           HZ2      TRP   3  16.536  -7.928   9.020
   25    HZ3  TRP   3           HZ3      TRP   3  16.931  -5.379   5.584
   26    HH2  TRP   3           HH2      TRP   3  17.018  -7.633   6.603
   27    H    LEU   4           HN       LEU   4  12.011  -3.295   9.449
   28    HA   LEU   4           HA       LEU   4  12.681  -4.946   7.242
   29    HB2  LEU   4           HB2      LEU   4  10.145  -4.527   8.792
   30    HB3  LEU   4           HB1      LEU   4  10.295  -5.727   7.512
   31    HG   LEU   4           HG       LEU   4  12.233  -5.632   9.841
   32   HD11  LEU   4          HD11      LEU   4   9.910  -5.878  10.691
   33   HD12  LEU   4          HD12      LEU   4  10.893  -7.316  10.965
   34   HD13  LEU   4          HD13      LEU   4   9.710  -7.292   9.658
   35   HD21  LEU   4          HD21      LEU   4  12.306  -8.166   9.215
   36   HD22  LEU   4          HD22      LEU   4  13.099  -7.045   8.122
   37   HD23  LEU   4          HD23      LEU   4  11.510  -7.686   7.717
   38    H    ALA   5           HN       ALA   5  11.142  -1.878   7.538
   39    HA   ALA   5           HA       ALA   5   9.610  -1.985   5.135
   40    HB1  ALA   5           HB1      ALA   5   9.251   0.353   5.475
   41    HB2  ALA   5           HB2      ALA   5  10.669   0.486   6.518
   42    HB3  ALA   5           HB3      ALA   5   9.244  -0.395   7.072
   43    H    LEU   6           HN       LEU   6  12.937  -1.691   5.785
   44    HA   LEU   6           HA       LEU   6  13.633  -0.090   3.504
   45    HB2  LEU   6           HB2      LEU   6  15.122  -1.642   5.551
   46    HB3  LEU   6           HB1      LEU   6  15.985  -1.065   4.147
   47    HG   LEU   6           HG       LEU   6  14.297   0.818   5.775
   48   HD11  LEU   6          HD11      LEU   6  15.730  -0.073   7.452
   49   HD12  LEU   6          HD12      LEU   6  16.498   1.426   6.943
   50   HD13  LEU   6          HD13      LEU   6  17.106  -0.124   6.356
   51   HD21  LEU   6          HD21      LEU   6  16.031   2.445   4.934
   52   HD22  LEU   6          HD22      LEU   6  15.107   1.688   3.643
   53   HD23  LEU   6          HD23      LEU   6  16.740   1.133   3.998
   54    H    ALA   7           HN       ALA   7  13.150  -3.449   4.169
   55    HA   ALA   7           HA       ALA   7  14.514  -4.363   1.772
   56    HB1  ALA   7           HB1      ALA   7  12.795  -5.843   3.770
   57    HB2  ALA   7           HB2      ALA   7  14.557  -5.761   3.777
   58    HB3  ALA   7           HB3      ALA   7  13.718  -6.587   2.465
   59    H    LEU   8           HN       LEU   8  11.403  -3.265   2.672
   60    HA   LEU   8           HA       LEU   8  10.016  -4.587   0.461
   61    HB2  LEU   8           HB2      LEU   8   9.000  -2.666   2.539
   62    HB3  LEU   8           HB1      LEU   8   8.014  -3.603   1.418
   63    HG   LEU   8           HG       LEU   8   9.870  -4.810   3.495
   64   HD11  LEU   8          HD11      LEU   8   8.071  -3.744   4.668
   65   HD12  LEU   8          HD12      LEU   8   7.663  -5.457   4.583
   66   HD13  LEU   8          HD13      LEU   8   6.882  -4.310   3.494
   67   HD21  LEU   8          HD21      LEU   8   9.604  -6.443   1.799
   68   HD22  LEU   8          HD22      LEU   8   7.950  -5.947   1.445
   69   HD23  LEU   8          HD23      LEU   8   8.305  -6.847   2.918
   70    H    ALA   9           HN       ALA   9  11.550  -1.596   1.185
   71    HA   ALA   9           HA       ALA   9  10.780  -0.532  -1.423
   72    HB1  ALA   9           HB1      ALA   9  10.009   1.586  -0.560
   73    HB2  ALA   9           HB2      ALA   9  10.365   1.087   1.094
   74    HB3  ALA   9           HB3      ALA   9   9.065   0.303   0.198
   75    HA   PRO  10           HA       PRO  10  15.129   0.356   0.174
   76    HB2  PRO  10           HB2      PRO  10  16.508  -1.212  -1.568
   77    HB3  PRO  10           HB1      PRO  10  15.871  -1.836  -0.037
   78    HG2  PRO  10           HG2      PRO  10  14.722  -2.071  -2.789
   79    HG3  PRO  10           HG1      PRO  10  14.861  -3.308  -1.520
   80    HD2  PRO  10           HD2      PRO  10  12.531  -1.990  -1.977
   81    HD3  PRO  10           HD1      PRO  10  13.008  -2.525  -0.348
   82    H    ALA  11           HN       ALA  11  16.606   1.779  -0.863
   83    HA   ALA  11           HA       ALA  11  15.570   3.441  -2.876
   84    HB1  ALA  11           HB1      ALA  11  17.248   4.330  -1.429
   85    HB2  ALA  11           HB2      ALA  11  17.942   4.296  -3.051
   86    HB3  ALA  11           HB3      ALA  11  18.392   3.062  -1.872
   87    H    LEU  12           HN       LEU  12  16.705   0.334  -3.191
   88    HA   LEU  12           HA       LEU  12  18.240   0.438  -5.549
   89    HB2  LEU  12           HB2      LEU  12  16.336  -1.738  -4.660
   90    HB3  LEU  12           HB1      LEU  12  17.600  -1.914  -5.874
   91    HG   LEU  12           HG       LEU  12  18.287  -0.959  -3.088
   92   HD11  LEU  12          HD11      LEU  12  18.170  -3.856  -3.978
   93   HD12  LEU  12          HD12      LEU  12  17.023  -3.096  -2.875
   94   HD13  LEU  12          HD13      LEU  12  18.716  -3.261  -2.409
   95   HD21  LEU  12          HD21      LEU  12  19.801  -2.409  -5.295
   96   HD22  LEU  12          HD22      LEU  12  20.453  -2.118  -3.686
   97   HD23  LEU  12          HD23      LEU  12  20.068  -0.758  -4.735
   98    H    ALA  13           HN       ALA  13  14.742  -0.357  -5.277
   99    HA   ALA  13           HA       ALA  13  14.180  -0.337  -7.994
  100    HB1  ALA  13           HB1      ALA  13  12.536  -1.100  -6.380
  101    HB2  ALA  13           HB2      ALA  13  11.840   0.207  -7.339
  102    HB3  ALA  13           HB3      ALA  13  12.407   0.522  -5.699
  103    H    LEU  14           HN       LEU  14  14.799   2.313  -5.867
  104    HA   LEU  14           HA       LEU  14  13.694   4.325  -7.617
  105    HB2  LEU  14           HB2      LEU  14  13.641   4.912  -5.327
  106    HB3  LEU  14           HB1      LEU  14  15.278   4.349  -5.049
  107    HG   LEU  14           HG       LEU  14  16.181   6.251  -6.312
  108   HD11  LEU  14          HD11      LEU  14  14.429   6.521  -7.971
  109   HD12  LEU  14          HD12      LEU  14  14.593   8.029  -7.082
  110   HD13  LEU  14          HD13      LEU  14  13.256   6.935  -6.726
  111   HD21  LEU  14          HD21      LEU  14  14.047   7.273  -4.424
  112   HD22  LEU  14          HD22      LEU  14  15.635   7.972  -4.743
  113   HD23  LEU  14          HD23      LEU  14  15.502   6.450  -3.863
  114    H    ALA  15           HN       ALA  15  16.994   3.428  -6.579
  115    HA   ALA  15           HA       ALA  15  18.317   5.099  -8.413
  116    HB1  ALA  15           HB1      ALA  15  19.335   3.919  -6.410
  117    HB2  ALA  15           HB2      ALA  15  20.300   3.875  -7.886
  118    HB3  ALA  15           HB3      ALA  15  19.370   2.458  -7.397
  119    H    LEU  16           HN       LEU  16  16.899   1.916  -8.733
  120    HA   LEU  16           HA       LEU  16  18.172   1.092 -11.097
  121    HB2  LEU  16           HB2      LEU  16  15.691   0.357  -9.646
  122    HB3  LEU  16           HB1      LEU  16  15.634  -0.006 -11.363
  123    HG   LEU  16           HG       LEU  16  17.835  -1.221 -11.093
  124   HD11  LEU  16          HD11      LEU  16  18.276   0.056  -8.849
  125   HD12  LEU  16          HD12      LEU  16  18.768  -1.629  -8.983
  126   HD13  LEU  16          HD13      LEU  16  17.287  -1.214  -8.128
  127   HD21  LEU  16          HD21      LEU  16  16.788  -3.213 -10.132
  128   HD22  LEU  16          HD22      LEU  16  15.593  -2.346 -11.098
  129   HD23  LEU  16          HD23      LEU  16  15.564  -2.221  -9.338
  130    H    TRP  17           HN       TRP  17  15.037   2.796 -10.733
  131    HA   TRP  17           HA       TRP  17  14.893   3.237 -13.576
  132    HB2  TRP  17           HB2      TRP  17  12.749   3.109 -12.719
  133    HB3  TRP  17           HB1      TRP  17  13.225   3.817 -11.178
  134    HD1  TRP  17           HD1      TRP  17  11.836   4.742 -14.590
  135    HE1  TRP  17           HE1      TRP  17  11.281   7.276 -14.570
  136    HE3  TRP  17           HE3      TRP  17  13.982   6.024 -10.209
  137    HZ2  TRP  17           HZ2      TRP  17  11.721   9.548 -12.868
  138    HZ3  TRP  17           HZ3      TRP  17  13.933   8.320  -9.382
  139    HH2  TRP  17           HH2      TRP  17  12.803  10.120 -10.693
  140    H    TRP  18           HN       TRP  18  15.648   5.408 -10.774
  141    HA   TRP  18           HA       TRP  18  15.920   7.786 -12.166
  142    HB2  TRP  18           HB2      TRP  18  16.110   7.570  -9.719
  143    HB3  TRP  18           HB1      TRP  18  17.627   6.741  -9.924
  144    HD1  TRP  18           HD1      TRP  18  16.261   9.979 -11.423
  145    HE1  TRP  18           HE1      TRP  18  18.044  11.827 -11.123
  146    HE3  TRP  18           HE3      TRP  18  19.786   7.316  -8.954
  147    HZ2  TRP  18           HZ2      TRP  18  20.660  12.103  -9.960
  148    HZ3  TRP  18           HZ3      TRP  18  21.907   8.359  -8.255
  149    HH2  TRP  18           HH2      TRP  18  22.361  10.752  -8.750
  150    H    ALA  19           HN       ALA  19  18.435   5.411 -11.428
  151    HA   ALA  19           HA       ALA  19  20.364   6.654 -13.160
  152    HB1  ALA  19           HB1      ALA  19  21.859   4.955 -12.452
  153    HB2  ALA  19           HB2      ALA  19  20.539   3.878 -11.996
  154    HB3  ALA  19           HB3      ALA  19  20.867   5.326 -11.042
  155    HA1  ETA  20           HA1      ETA  20  16.948   3.628 -15.591
  156    HA2  ETA  20           HA2      ETA  20  18.619   3.114 -15.824
  157    HN2  ETA  20           HN       ETA  20  17.664   4.993 -13.863
  158    HB1  ETA  20           HB1      ETA  20  18.058   4.268 -17.815
  159    HB2  ETA  20           HB2      ETA  20  18.977   5.442 -16.880
  160    HO   ETA  20           HG       ETA  20  17.259   6.609 -16.537
  Start of MODEL    4
    1    H1   ACE   0           HA2      ACE   0  15.202  -8.001  13.733
    2    H2   ACE   0           HA3      ACE   0  15.939  -6.615  12.928
    3    H3   ACE   0           HA1      ACE   0  14.610  -7.480  12.156
    4    H    GLY   1           HN       GLY   1  14.046  -4.947  12.238
    5    HA2  GLY   1           HA2      GLY   1  11.988  -4.674  14.248
    6    HA3  GLY   1           HA1      GLY   1  13.259  -3.458  14.268
    7    H    TRP   2           HN       TRP   2  12.377  -1.767  13.532
    8    HA   TRP   2           HA       TRP   2  10.324  -1.572  11.630
    9    HB2  TRP   2           HB2      TRP   2  10.321   0.541  12.516
   10    HB3  TRP   2           HB1      TRP   2  11.863   0.212  13.280
   11    HD1  TRP   2           HD1      TRP   2  13.891   1.379  12.375
   12    HE1  TRP   2           HE1      TRP   2  14.351   3.020  10.415
   13    HE3  TRP   2           HE3      TRP   2   9.434   1.085   9.951
   14    HZ2  TRP   2           HZ2      TRP   2  12.975   4.047   8.129
   15    HZ3  TRP   2           HZ3      TRP   2   9.021   2.394   7.889
   16    HH2  TRP   2           HH2      TRP   2  10.785   3.875   6.974
   17    H    TRP   3           HN       TRP   3  13.837  -1.698  11.235
   18    HA   TRP   3           HA       TRP   3  14.150  -0.728   8.683
   19    HB2  TRP   3           HB2      TRP   3  16.250  -1.736   8.741
   20    HB3  TRP   3           HB1      TRP   3  15.850  -1.695  10.448
   21    HD1  TRP   3           HD1      TRP   3  15.418  -3.936  11.639
   22    HE1  TRP   3           HE1      TRP   3  15.791  -6.409  10.978
   23    HE3  TRP   3           HE3      TRP   3  16.209  -3.383   6.650
   24    HZ2  TRP   3           HZ2      TRP   3  16.349  -7.929   8.631
   25    HZ3  TRP   3           HZ3      TRP   3  16.657  -5.340   5.214
   26    HH2  TRP   3           HH2      TRP   3  16.729  -7.613   6.197
   27    H    LEU   4           HN       LEU   4  11.916  -3.093   9.350
   28    HA   LEU   4           HA       LEU   4  12.419  -4.833   7.143
   29    HB2  LEU   4           HB2      LEU   4  10.110  -4.349   9.000
   30    HB3  LEU   4           HB1      LEU   4   9.902  -5.391   7.595
   31    HG   LEU   4           HG       LEU   4  12.250  -5.857   9.450
   32   HD11  LEU   4          HD11      LEU   4   9.493  -7.038   9.855
   33   HD12  LEU   4          HD12      LEU   4  10.187  -5.767  10.861
   34   HD13  LEU   4          HD13      LEU   4  10.936  -7.362  10.813
   35   HD21  LEU   4          HD21      LEU   4  10.543  -7.640   7.671
   36   HD22  LEU   4          HD22      LEU   4  11.848  -8.221   8.700
   37   HD23  LEU   4          HD23      LEU   4  12.205  -7.137   7.361
   38    H    ALA   5           HN       ALA   5  11.012  -1.725   7.573
   39    HA   ALA   5           HA       ALA   5   9.288  -1.683   5.319
   40    HB1  ALA   5           HB1      ALA   5   9.286   0.734   5.617
   41    HB2  ALA   5           HB2      ALA   5  10.702   0.635   6.667
   42    HB3  ALA   5           HB3      ALA   5   9.163  -0.052   7.191
   43    H    LEU   6           HN       LEU   6  12.667  -1.657   5.653
   44    HA   LEU   6           HA       LEU   6  13.261  -0.246   3.196
   45    HB2  LEU   6           HB2      LEU   6  14.865  -1.687   5.247
   46    HB3  LEU   6           HB1      LEU   6  15.608  -1.083   3.784
   47    HG   LEU   6           HG       LEU   6  13.971   0.735   5.532
   48   HD11  LEU   6          HD11      LEU   6  16.932   0.183   5.809
   49   HD12  LEU   6          HD12      LEU   6  15.694  -0.317   6.959
   50   HD13  LEU   6          HD13      LEU   6  16.018   1.397   6.704
   51   HD21  LEU   6          HD21      LEU   6  16.208   1.136   3.515
   52   HD22  LEU   6          HD22      LEU   6  15.617   2.420   4.563
   53   HD23  LEU   6          HD23      LEU   6  14.539   1.689   3.382
   54    H    ALA   7           HN       ALA   7  12.629  -3.432   4.254
   55    HA   ALA   7           HA       ALA   7  13.970  -4.771   2.075
   56    HB1  ALA   7           HB1      ALA   7  11.930  -5.827   4.046
   57    HB2  ALA   7           HB2      ALA   7  13.677  -5.858   4.278
   58    HB3  ALA   7           HB3      ALA   7  12.944  -6.797   2.978
   59    H    LEU   8           HN       LEU   8  11.039  -3.144   2.531
   60    HA   LEU   8           HA       LEU   8   9.455  -4.625   0.646
   61    HB2  LEU   8           HB2      LEU   8   8.936  -1.821   1.604
   62    HB3  LEU   8           HB1      LEU   8   7.765  -3.014   1.035
   63    HG   LEU   8           HG       LEU   8   9.428  -3.222   3.559
   64   HD11  LEU   8          HD11      LEU   8   6.437  -2.876   3.202
   65   HD12  LEU   8          HD12      LEU   8   7.549  -1.572   3.619
   66   HD13  LEU   8          HD13      LEU   8   7.318  -2.922   4.729
   67   HD21  LEU   8          HD21      LEU   8   7.491  -5.106   2.191
   68   HD22  LEU   8          HD22      LEU   8   7.772  -5.195   3.930
   69   HD23  LEU   8          HD23      LEU   8   9.106  -5.451   2.809
   70    H    ALA   9           HN       ALA   9  11.667  -1.903   0.493
   71    HA   ALA   9           HA       ALA   9  11.704  -2.035  -2.357
   72    HB1  ALA   9           HB1      ALA   9  10.885   0.330  -2.710
   73    HB2  ALA   9           HB2      ALA   9  10.236   0.259  -1.072
   74    HB3  ALA   9           HB3      ALA   9   9.641  -0.853  -2.305
   75    HA   PRO  10           HA       PRO  10  15.443  -0.370   0.041
   76    HB2  PRO  10           HB2      PRO  10  16.545  -1.988  -2.239
   77    HB3  PRO  10           HB1      PRO  10  17.159  -1.831  -0.576
   78    HG2  PRO  10           HG2      PRO  10  15.829  -4.000  -1.314
   79    HG3  PRO  10           HG1      PRO  10  15.568  -3.282   0.289
   80    HD2  PRO  10           HD2      PRO  10  13.771  -3.219  -2.096
   81    HD3  PRO  10           HD1      PRO  10  13.348  -3.168  -0.368
   82    H    ALA  11           HN       ALA  11  17.081   1.144  -0.867
   83    HA   ALA  11           HA       ALA  11  16.022   3.018  -2.652
   84    HB1  ALA  11           HB1      ALA  11  18.421   3.811  -2.878
   85    HB2  ALA  11           HB2      ALA  11  18.878   2.453  -1.847
   86    HB3  ALA  11           HB3      ALA  11  17.809   3.711  -1.227
   87    H    LEU  12           HN       LEU  12  17.171  -0.042  -3.269
   88    HA   LEU  12           HA       LEU  12  18.515   0.216  -5.724
   89    HB2  LEU  12           HB2      LEU  12  16.654  -2.005  -4.854
   90    HB3  LEU  12           HB1      LEU  12  17.829  -2.108  -6.161
   91    HG   LEU  12           HG       LEU  12  18.574  -1.468  -3.293
   92   HD11  LEU  12          HD11      LEU  12  17.537  -3.722  -3.502
   93   HD12  LEU  12          HD12      LEU  12  19.248  -3.807  -3.080
   94   HD13  LEU  12          HD13      LEU  12  18.732  -4.134  -4.733
   95   HD21  LEU  12          HD21      LEU  12  20.837  -2.394  -4.242
   96   HD22  LEU  12          HD22      LEU  12  20.358  -0.763  -4.690
   97   HD23  LEU  12          HD23      LEU  12  20.125  -2.088  -5.826
   98    H    ALA  13           HN       ALA  13  15.055  -0.582  -5.235
   99    HA   ALA  13           HA       ALA  13  14.253  -0.393  -7.875
  100    HB1  ALA  13           HB1      ALA  13  12.811  -1.172  -6.008
  101    HB2  ALA  13           HB2      ALA  13  12.005   0.015  -7.034
  102    HB3  ALA  13           HB3      ALA  13  12.653   0.498  -5.466
  103    H    LEU  14           HN       LEU  14  14.952   2.154  -5.597
  104    HA   LEU  14           HA       LEU  14  13.824   4.256  -7.188
  105    HB2  LEU  14           HB2      LEU  14  13.917   4.748  -4.893
  106    HB3  LEU  14           HB1      LEU  14  15.537   4.100  -4.717
  107    HG   LEU  14           HG       LEU  14  16.470   6.035  -5.913
  108   HD11  LEU  14          HD11      LEU  14  14.826   7.943  -6.404
  109   HD12  LEU  14          HD12      LEU  14  13.548   6.738  -6.244
  110   HD13  LEU  14          HD13      LEU  14  14.774   6.563  -7.494
  111   HD21  LEU  14          HD21      LEU  14  14.478   6.779  -3.748
  112   HD22  LEU  14          HD22      LEU  14  15.817   7.797  -4.278
  113   HD23  LEU  14          HD23      LEU  14  16.143   6.250  -3.500
  114    H    ALA  15           HN       ALA  15  17.187   3.372  -6.382
  115    HA   ALA  15           HA       ALA  15  18.404   5.099  -8.210
  116    HB1  ALA  15           HB1      ALA  15  19.487   2.382  -7.470
  117    HB2  ALA  15           HB2      ALA  15  19.514   3.746  -6.352
  118    HB3  ALA  15           HB3      ALA  15  20.392   3.839  -7.879
  119    H    LEU  16           HN       LEU  16  16.821   2.020  -8.660
  120    HA   LEU  16           HA       LEU  16  17.964   1.321 -11.136
  121    HB2  LEU  16           HB2      LEU  16  15.582   0.519  -9.580
  122    HB3  LEU  16           HB1      LEU  16  15.342   0.348 -11.313
  123    HG   LEU  16           HG       LEU  16  17.508  -0.956 -11.394
  124   HD11  LEU  16          HD11      LEU  16  18.603  -1.640  -9.434
  125   HD12  LEU  16          HD12      LEU  16  17.229  -1.243  -8.403
  126   HD13  LEU  16          HD13      LEU  16  18.218   0.045  -9.092
  127   HD21  LEU  16          HD21      LEU  16  15.155  -1.900  -9.738
  128   HD22  LEU  16          HD22      LEU  16  16.459  -2.986 -10.219
  129   HD23  LEU  16          HD23      LEU  16  15.467  -2.200 -11.448
  130    H    TRP  17           HN       TRP  17  14.870   3.021 -10.508
  131    HA   TRP  17           HA       TRP  17  14.595   3.695 -13.276
  132    HB2  TRP  17           HB2      TRP  17  12.505   3.582 -12.297
  133    HB3  TRP  17           HB1      TRP  17  13.108   4.149 -10.742
  134    HD1  TRP  17           HD1      TRP  17  11.529   5.383 -13.964
  135    HE1  TRP  17           HE1      TRP  17  11.068   7.923 -13.713
  136    HE3  TRP  17           HE3      TRP  17  14.013   6.251  -9.667
  137    HZ2  TRP  17           HZ2      TRP  17  11.705  10.042 -11.877
  138    HZ3  TRP  17           HZ3      TRP  17  14.103   8.474  -8.664
  139    HH2  TRP  17           HH2      TRP  17  12.953  10.407  -9.748
  140    H    TRP  18           HN       TRP  18  15.613   5.649 -10.393
  141    HA   TRP  18           HA       TRP  18  15.875   8.098 -11.652
  142    HB2  TRP  18           HB2      TRP  18  16.233   7.765  -9.256
  143    HB3  TRP  18           HB1      TRP  18  17.667   6.837  -9.593
  144    HD1  TRP  18           HD1      TRP  18  16.471  10.229 -10.882
  145    HE1  TRP  18           HE1      TRP  18  18.403  11.927 -10.615
  146    HE3  TRP  18           HE3      TRP  18  19.908   7.214  -8.710
  147    HZ2  TRP  18           HZ2      TRP  18  21.091  11.959  -9.590
  148    HZ3  TRP  18           HZ3      TRP  18  22.139   8.068  -8.092
  149    HH2  TRP  18           HH2      TRP  18  22.744  10.437  -8.527
  150    H    ALA  19           HN       ALA  19  18.339   5.594 -11.266
  151    HA   ALA  19           HA       ALA  19  20.181   6.881 -13.060
  152    HB1  ALA  19           HB1      ALA  19  20.805   5.418 -11.078
  153    HB2  ALA  19           HB2      ALA  19  21.656   5.081 -12.586
  154    HB3  ALA  19           HB3      ALA  19  20.332   4.038 -12.068
  155    HA1  ETA  20           HA1      ETA  20  17.806   4.665 -16.257
  156    HA2  ETA  20           HA2      ETA  20  16.557   3.869 -15.299
  157    HN2  ETA  20           HN       ETA  20  17.536   4.755 -13.403
  158    HB1  ETA  20           HB1      ETA  20  17.802   2.118 -16.332
  159    HB2  ETA  20           HB2      ETA  20  18.356   2.164 -14.664
  160    HO   ETA  20           HG       ETA  20  20.071   3.562 -15.393
  Start of MODEL    5
    1    H1   ACE   0           HA2      ACE   0  15.497  -8.411  13.600
    2    H2   ACE   0           HA3      ACE   0  16.208  -6.944  12.930
    3    H3   ACE   0           HA1      ACE   0  14.919  -7.775  12.060
    4    H    GLY   1           HN       GLY   1  14.213  -5.327  12.292
    5    HA2  GLY   1           HA2      GLY   1  12.186  -5.240  14.365
    6    HA3  GLY   1           HA1      GLY   1  13.375  -3.945  14.363
    7    H    TRP   2           HN       TRP   2  12.407  -2.285  13.660
    8    HA   TRP   2           HA       TRP   2  10.275  -2.235  11.806
    9    HB2  TRP   2           HB2      TRP   2  10.069  -0.200  12.839
   10    HB3  TRP   2           HB1      TRP   2  11.679  -0.366  13.504
   11    HD1  TRP   2           HD1      TRP   2  13.484   1.091  12.571
   12    HE1  TRP   2           HE1      TRP   2  13.636   2.861  10.673
   13    HE3  TRP   2           HE3      TRP   2   8.991   0.323  10.326
   14    HZ2  TRP   2           HZ2      TRP   2  12.030   3.794   8.497
   15    HZ3  TRP   2           HZ3      TRP   2   8.313   1.653   8.348
   16    HH2  TRP   2           HH2      TRP   2   9.828   3.388   7.430
   17    H    TRP   3           HN       TRP   3  13.783  -2.023  11.396
   18    HA   TRP   3           HA       TRP   3  14.021  -0.895   8.914
   19    HB2  TRP   3           HB2      TRP   3  16.180  -1.788   8.920
   20    HB3  TRP   3           HB1      TRP   3  15.774  -1.831  10.623
   21    HD1  TRP   3           HD1      TRP   3  15.458  -4.141  11.729
   22    HE1  TRP   3           HE1      TRP   3  15.987  -6.559  10.980
   23    HE3  TRP   3           HE3      TRP   3  16.261  -3.353   6.773
   24    HZ2  TRP   3           HZ2      TRP   3  16.657  -7.954   8.586
   25    HZ3  TRP   3           HZ3      TRP   3  16.840  -5.223   5.270
   26    HH2  TRP   3           HH2      TRP   3  17.040  -7.527   6.170
   27    H    LEU   4           HN       LEU   4  11.988  -3.473   9.444
   28    HA   LEU   4           HA       LEU   4  12.607  -5.048   7.160
   29    HB2  LEU   4           HB2      LEU   4  10.206  -4.810   8.940
   30    HB3  LEU   4           HB1      LEU   4  10.257  -5.929   7.581
   31    HG   LEU   4           HG       LEU   4  12.451  -5.927   9.671
   32   HD11  LEU   4          HD11      LEU   4   9.938  -7.613   9.762
   33   HD12  LEU   4          HD12      LEU   4  10.235  -6.221  10.800
   34   HD13  LEU   4          HD13      LEU   4  11.273  -7.640  10.909
   35   HD21  LEU   4          HD21      LEU   4  11.409  -7.936   7.632
   36   HD22  LEU   4          HD22      LEU   4  12.482  -8.402   8.947
   37   HD23  LEU   4          HD23      LEU   4  13.028  -7.247   7.743
   38    H    ALA   5           HN       ALA   5  10.971  -2.058   7.637
   39    HA   ALA   5           HA       ALA   5   9.277  -2.236   5.340
   40    HB1  ALA   5           HB1      ALA   5   8.854  -0.750   7.317
   41    HB2  ALA   5           HB2      ALA   5   8.798   0.088   5.766
   42    HB3  ALA   5           HB3      ALA   5  10.221   0.241   6.800
   43    H    LEU   6           HN       LEU   6  12.598  -1.716   5.807
   44    HA   LEU   6           HA       LEU   6  13.067   0.032   3.587
   45    HB2  LEU   6           HB2      LEU   6  14.751  -1.583   5.419
   46    HB3  LEU   6           HB1      LEU   6  15.496  -0.878   4.004
   47    HG   LEU   6           HG       LEU   6  13.847   0.818   5.865
   48   HD11  LEU   6          HD11      LEU   6  15.544  -0.314   7.240
   49   HD12  LEU   6          HD12      LEU   6  15.909   1.401   7.082
   50   HD13  LEU   6          HD13      LEU   6  16.801   0.214   6.129
   51   HD21  LEU   6          HD21      LEU   6  14.458   1.883   3.767
   52   HD22  LEU   6          HD22      LEU   6  16.130   1.356   3.937
   53   HD23  LEU   6          HD23      LEU   6  15.473   2.568   5.031
   54    H    ALA   7           HN       ALA   7  12.845  -3.433   4.028
   55    HA   ALA   7           HA       ALA   7  14.114  -4.051   1.506
   56    HB1  ALA   7           HB1      ALA   7  12.491  -5.774   3.391
   57    HB2  ALA   7           HB2      ALA   7  14.249  -5.641   3.358
   58    HB3  ALA   7           HB3      ALA   7  13.393  -6.362   1.995
   59    H    LEU   8           HN       LEU   8  11.130  -2.860   2.409
   60    HA   LEU   8           HA       LEU   8   9.568  -4.164   0.321
   61    HB2  LEU   8           HB2      LEU   8   8.726  -1.921   2.141
   62    HB3  LEU   8           HB1      LEU   8   7.691  -3.052   1.266
   63    HG   LEU   8           HG       LEU   8   9.573  -3.724   3.542
   64   HD11  LEU   8          HD11      LEU   8   6.568  -4.038   3.401
   65   HD12  LEU   8          HD12      LEU   8   7.344  -2.590   4.044
   66   HD13  LEU   8          HD13      LEU   8   7.603  -4.151   4.824
   67   HD21  LEU   8          HD21      LEU   8   9.637  -5.635   2.138
   68   HD22  LEU   8          HD22      LEU   8   7.951  -5.450   1.655
   69   HD23  LEU   8          HD23      LEU   8   8.347  -6.016   3.278
   70    H    ALA   9           HN       ALA   9  11.298  -1.193   0.878
   71    HA   ALA   9           HA       ALA   9  10.829  -0.368  -1.863
   72    HB1  ALA   9           HB1      ALA   9   9.843   1.744  -1.388
   73    HB2  ALA   9           HB2      ALA   9  10.086   1.544   0.347
   74    HB3  ALA   9           HB3      ALA   9   8.896   0.552  -0.497
   75    HA   PRO  10           HA       PRO  10  14.882   0.799   0.236
   76    HB2  PRO  10           HB2      PRO  10  16.533  -0.856  -1.154
   77    HB3  PRO  10           HB1      PRO  10  15.697  -1.378   0.318
   78    HG2  PRO  10           HG2      PRO  10  14.961  -1.872  -2.539
   79    HG3  PRO  10           HG1      PRO  10  14.941  -2.998  -1.163
   80    HD2  PRO  10           HD2      PRO  10  12.676  -1.794  -2.058
   81    HD3  PRO  10           HD1      PRO  10  12.919  -2.186  -0.339
   82    H    ALA  11           HN       ALA  11  16.673   1.954  -0.818
   83    HA   ALA  11           HA       ALA  11  15.835   3.565  -2.977
   84    HB1  ALA  11           HB1      ALA  11  17.447   4.466  -1.473
   85    HB2  ALA  11           HB2      ALA  11  18.267   4.278  -3.024
   86    HB3  ALA  11           HB3      ALA  11  18.546   3.111  -1.730
   87    H    LEU  12           HN       LEU  12  16.881   0.391  -2.999
   88    HA   LEU  12           HA       LEU  12  18.529   0.273  -5.276
   89    HB2  LEU  12           HB2      LEU  12  16.536  -1.791  -4.312
   90    HB3  LEU  12           HB1      LEU  12  17.872  -2.088  -5.420
   91    HG   LEU  12           HG       LEU  12  18.324  -0.933  -2.662
   92   HD11  LEU  12          HD11      LEU  12  18.864  -3.242  -1.921
   93   HD12  LEU  12          HD12      LEU  12  18.278  -3.856  -3.469
   94   HD13  LEU  12          HD13      LEU  12  17.163  -3.062  -2.355
   95   HD21  LEU  12          HD21      LEU  12  20.576  -2.107  -3.050
   96   HD22  LEU  12          HD22      LEU  12  20.262  -0.703  -4.061
   97   HD23  LEU  12          HD23      LEU  12  20.072  -2.324  -4.725
   98    H    ALA  13           HN       ALA  13  14.995  -0.364  -5.095
   99    HA   ALA  13           HA       ALA  13  14.618  -0.492  -7.879
  100    HB1  ALA  13           HB1      ALA  13  12.893  -1.329  -6.440
  101    HB2  ALA  13           HB2      ALA  13  12.213   0.041  -7.317
  102    HB3  ALA  13           HB3      ALA  13  12.724   0.232  -5.640
  103    H    LEU  14           HN       LEU  14  15.210   2.126  -5.790
  104    HA   LEU  14           HA       LEU  14  14.029   4.172  -7.430
  105    HB2  LEU  14           HB2      LEU  14  14.535   4.152  -4.843
  106    HB3  LEU  14           HB1      LEU  14  16.132   4.696  -5.335
  107    HG   LEU  14           HG       LEU  14  13.479   6.060  -5.875
  108   HD11  LEU  14          HD11      LEU  14  14.351   7.807  -4.480
  109   HD12  LEU  14          HD12      LEU  14  15.961   7.084  -4.472
  110   HD13  LEU  14          HD13      LEU  14  14.634   6.295  -3.617
  111   HD21  LEU  14          HD21      LEU  14  14.766   6.382  -7.861
  112   HD22  LEU  14          HD22      LEU  14  16.261   6.593  -6.955
  113   HD23  LEU  14          HD23      LEU  14  15.015   7.841  -6.909
  114    H    ALA  15           HN       ALA  15  17.404   3.370  -6.550
  115    HA   ALA  15           HA       ALA  15  18.560   5.076  -8.463
  116    HB1  ALA  15           HB1      ALA  15  19.916   4.217  -6.664
  117    HB2  ALA  15           HB2      ALA  15  20.592   3.624  -8.181
  118    HB3  ALA  15           HB3      ALA  15  19.617   2.555  -7.171
  119    H    LEU  16           HN       LEU  16  17.226   1.859  -8.686
  120    HA   LEU  16           HA       LEU  16  18.415   1.075 -11.107
  121    HB2  LEU  16           HB2      LEU  16  15.919   0.337  -9.639
  122    HB3  LEU  16           HB1      LEU  16  16.101  -0.252 -11.285
  123    HG   LEU  16           HG       LEU  16  18.360  -0.622  -9.305
  124   HD11  LEU  16          HD11      LEU  16  17.263  -2.975  -8.966
  125   HD12  LEU  16          HD12      LEU  16  15.772  -2.161  -9.448
  126   HD13  LEU  16          HD13      LEU  16  16.661  -1.607  -8.035
  127   HD21  LEU  16          HD21      LEU  16  17.433  -2.516 -11.485
  128   HD22  LEU  16          HD22      LEU  16  19.042  -2.347 -10.784
  129   HD23  LEU  16          HD23      LEU  16  18.429  -1.116 -11.880
  130    H    TRP  17           HN       TRP  17  15.170   2.528 -10.556
  131    HA   TRP  17           HA       TRP  17  14.844   2.976 -13.376
  132    HB2  TRP  17           HB2      TRP  17  12.772   2.670 -12.385
  133    HB3  TRP  17           HB1      TRP  17  13.279   3.433 -10.879
  134    HD1  TRP  17           HD1      TRP  17  11.612   4.202 -14.202
  135    HE1  TRP  17           HE1      TRP  17  10.865   6.689 -14.172
  136    HE3  TRP  17           HE3      TRP  17  13.927   5.709  -9.974
  137    HZ2  TRP  17           HZ2      TRP  17  11.238   9.009 -12.523
  138    HZ3  TRP  17           HZ3      TRP  17  13.754   7.999  -9.179
  139    HH2  TRP  17           HH2      TRP  17  12.410   9.691 -10.427
  140    H    TRP  18           HN       TRP  18  15.631   5.173 -10.602
  141    HA   TRP  18           HA       TRP  18  15.623   7.580 -11.990
  142    HB2  TRP  18           HB2      TRP  18  15.987   7.438  -9.578
  143    HB3  TRP  18           HB1      TRP  18  17.514   6.641  -9.849
  144    HD1  TRP  18           HD1      TRP  18  16.017   9.808 -11.381
  145    HE1  TRP  18           HE1      TRP  18  17.763  11.707 -11.188
  146    HE3  TRP  18           HE3      TRP  18  19.673   7.309  -8.931
  147    HZ2  TRP  18           HZ2      TRP  18  20.404  12.080 -10.106
  148    HZ3  TRP  18           HZ3      TRP  18  21.788   8.423  -8.322
  149    HH2  TRP  18           HH2      TRP  18  22.166  10.808  -8.903
  150    H    ALA  19           HN       ALA  19  18.355   5.397 -11.456
  151    HA   ALA  19           HA       ALA  19  20.046   6.786 -13.331
  152    HB1  ALA  19           HB1      ALA  19  21.743   5.282 -12.694
  153    HB2  ALA  19           HB2      ALA  19  20.585   4.048 -12.196
  154    HB3  ALA  19           HB3      ALA  19  20.790   5.509 -11.229
  155    HA1  ETA  20           HA1      ETA  20  16.682   3.726 -15.671
  156    HA2  ETA  20           HA2      ETA  20  18.323   3.095 -15.812
  157    HN2  ETA  20           HN       ETA  20  17.432   5.088 -13.958
  158    HB1  ETA  20           HB1      ETA  20  17.512   4.286 -17.865
  159    HB2  ETA  20           HB2      ETA  20  18.973   4.988 -17.186
  160    HO   ETA  20           HG       ETA  20  16.397   5.922 -16.517
  Start of MODEL    6
    1    H1   ACE   0           HA2      ACE   0  15.065  -7.664  11.840
    2    H2   ACE   0           HA3      ACE   0  15.432  -8.565  13.309
    3    H3   ACE   0           HA1      ACE   0  16.303  -7.075  12.950
    4    H    GLY   1           HN       GLY   1  14.346  -5.320  12.262
    5    HA2  GLY   1           HA2      GLY   1  12.276  -5.331  14.318
    6    HA3  GLY   1           HA1      GLY   1  13.442  -4.015  14.312
    7    H    TRP   2           HN       TRP   2  12.412  -2.376  13.647
    8    HA   TRP   2           HA       TRP   2  10.288  -2.357  11.777
    9    HB2  TRP   2           HB2      TRP   2   9.999  -0.364  12.871
   10    HB3  TRP   2           HB1      TRP   2  11.619  -0.476  13.529
   11    HD1  TRP   2           HD1      TRP   2  13.366   1.057  12.610
   12    HE1  TRP   2           HE1      TRP   2  13.440   2.876  10.756
   13    HE3  TRP   2           HE3      TRP   2   8.875   0.198  10.390
   14    HZ2  TRP   2           HZ2      TRP   2  11.783   3.809   8.621
   15    HZ3  TRP   2           HZ3      TRP   2   8.135   1.554   8.452
   16    HH2  TRP   2           HH2      TRP   2   9.584   3.360   7.564
   17    H    TRP   3           HN       TRP   3  13.794  -2.035  11.412
   18    HA   TRP   3           HA       TRP   3  14.000  -0.831   8.953
   19    HB2  TRP   3           HB2      TRP   3  16.202  -1.609   8.978
   20    HB3  TRP   3           HB1      TRP   3  15.777  -1.694  10.676
   21    HD1  TRP   3           HD1      TRP   3  15.576  -4.034  11.754
   22    HE1  TRP   3           HE1      TRP   3  16.239  -6.411  10.980
   23    HE3  TRP   3           HE3      TRP   3  16.381  -3.138   6.819
   24    HZ2  TRP   3           HZ2      TRP   3  17.005  -7.736   8.574
   25    HZ3  TRP   3           HZ3      TRP   3  17.073  -4.956   5.297
   26    HH2  TRP   3           HH2      TRP   3  17.387  -7.256   6.169
   27    H    LEU   4           HN       LEU   4  12.099  -3.498   9.441
   28    HA   LEU   4           HA       LEU   4  12.800  -5.030   7.148
   29    HB2  LEU   4           HB2      LEU   4  10.354  -4.900   8.879
   30    HB3  LEU   4           HB1      LEU   4  10.524  -6.042   7.548
   31    HG   LEU   4           HG       LEU   4  12.571  -5.808   9.771
   32   HD11  LEU   4          HD11      LEU   4  10.257  -7.749   9.593
   33   HD12  LEU   4          HD12      LEU   4  10.352  -6.381  10.700
   34   HD13  LEU   4          HD13      LEU   4  11.499  -7.712  10.842
   35   HD21  LEU   4          HD21      LEU   4  13.591  -7.026   8.033
   36   HD22  LEU   4          HD22      LEU   4  12.078  -7.746   7.494
   37   HD23  LEU   4          HD23      LEU   4  12.857  -8.329   8.961
   38    H    ALA   5           HN       ALA   5  11.008  -2.123   7.638
   39    HA   ALA   5           HA       ALA   5   9.347  -2.339   5.324
   40    HB1  ALA   5           HB1      ALA   5   8.721  -0.085   5.796
   41    HB2  ALA   5           HB2      ALA   5  10.176   0.188   6.761
   42    HB3  ALA   5           HB3      ALA   5   8.908  -0.889   7.354
   43    H    LEU   6           HN       LEU   6  12.642  -1.730   5.793
   44    HA   LEU   6           HA       LEU   6  13.048   0.073   3.596
   45    HB2  LEU   6           HB2      LEU   6  14.783  -1.468   5.444
   46    HB3  LEU   6           HB1      LEU   6  15.511  -0.724   4.043
   47    HG   LEU   6           HG       LEU   6  13.753   0.892   5.874
   48   HD11  LEU   6          HD11      LEU   6  15.707   1.557   7.170
   49   HD12  LEU   6          HD12      LEU   6  16.731   0.485   6.214
   50   HD13  LEU   6          HD13      LEU   6  15.495  -0.188   7.270
   51   HD21  LEU   6          HD21      LEU   6  15.325   2.713   5.075
   52   HD22  LEU   6          HD22      LEU   6  14.349   1.993   3.802
   53   HD23  LEU   6          HD23      LEU   6  16.040   1.533   3.980
   54    H    ALA   7           HN       ALA   7  12.919  -3.370   4.041
   55    HA   ALA   7           HA       ALA   7  14.244  -3.991   1.547
   56    HB1  ALA   7           HB1      ALA   7  12.631  -5.728   3.425
   57    HB2  ALA   7           HB2      ALA   7  14.386  -5.544   3.433
   58    HB3  ALA   7           HB3      ALA   7  13.585  -6.308   2.060
   59    H    LEU   8           HN       LEU   8  11.167  -2.954   2.458
   60    HA   LEU   8           HA       LEU   8   9.713  -4.290   0.317
   61    HB2  LEU   8           HB2      LEU   8   8.721  -2.117   2.147
   62    HB3  LEU   8           HB1      LEU   8   7.766  -3.296   1.245
   63    HG   LEU   8           HG       LEU   8   9.628  -3.867   3.566
   64   HD11  LEU   8          HD11      LEU   8   6.654  -4.370   3.305
   65   HD12  LEU   8          HD12      LEU   8   7.318  -2.893   4.001
   66   HD13  LEU   8          HD13      LEU   8   7.638  -4.448   4.768
   67   HD21  LEU   8          HD21      LEU   8   9.870  -5.751   2.137
   68   HD22  LEU   8          HD22      LEU   8   8.184  -5.689   1.621
   69   HD23  LEU   8          HD23      LEU   8   8.590  -6.234   3.249
   70    H    ALA   9           HN       ALA   9  11.303  -1.259   0.932
   71    HA   ALA   9           HA       ALA   9  10.778  -0.398  -1.793
   72    HB1  ALA   9           HB1      ALA   9   8.861   0.460  -0.361
   73    HB2  ALA   9           HB2      ALA   9   9.764   1.685  -1.252
   74    HB3  ALA   9           HB3      ALA   9  10.052   1.456   0.472
   75    HA   PRO  10           HA       PRO  10  14.859   0.784   0.277
   76    HB2  PRO  10           HB2      PRO  10  16.498  -0.804  -1.223
   77    HB3  PRO  10           HB1      PRO  10  15.737  -1.366   0.276
   78    HG2  PRO  10           HG2      PRO  10  14.892  -1.834  -2.556
   79    HG3  PRO  10           HG1      PRO  10  14.948  -2.977  -1.196
   80    HD2  PRO  10           HD2      PRO  10  12.626  -1.822  -1.979
   81    HD3  PRO  10           HD1      PRO  10  12.953  -2.203  -0.274
   82    H    ALA  11           HN       ALA  11  16.704   1.878  -0.866
   83    HA   ALA  11           HA       ALA  11  15.753   3.606  -2.892
   84    HB1  ALA  11           HB1      ALA  11  17.478   4.375  -1.404
   85    HB2  ALA  11           HB2      ALA  11  18.131   4.357  -3.044
   86    HB3  ALA  11           HB3      ALA  11  18.558   3.074  -1.911
   87    H    LEU  12           HN       LEU  12  16.711   0.429  -3.123
   88    HA   LEU  12           HA       LEU  12  18.258   0.383  -5.472
   89    HB2  LEU  12           HB2      LEU  12  16.234  -1.672  -4.561
   90    HB3  LEU  12           HB1      LEU  12  17.529  -1.941  -5.723
   91    HG   LEU  12           HG       LEU  12  18.109  -0.962  -2.919
   92   HD11  LEU  12          HD11      LEU  12  18.641  -3.388  -2.414
   93   HD12  LEU  12          HD12      LEU  12  17.782  -3.809  -3.895
   94   HD13  LEU  12          HD13      LEU  12  16.922  -3.023  -2.571
   95   HD21  LEU  12          HD21      LEU  12  19.724  -2.364  -5.082
   96   HD22  LEU  12          HD22      LEU  12  20.293  -2.172  -3.427
   97   HD23  LEU  12          HD23      LEU  12  19.993  -0.752  -4.421
   98    H    ALA  13           HN       ALA  13  14.711  -0.153  -5.192
   99    HA   ALA  13           HA       ALA  13  14.196  -0.156  -7.941
  100    HB1  ALA  13           HB1      ALA  13  12.513  -0.908  -6.383
  101    HB2  ALA  13           HB2      ALA  13  11.863   0.459  -7.287
  102    HB3  ALA  13           HB3      ALA  13  12.435   0.688  -5.635
  103    H    LEU  14           HN       LEU  14  14.916   2.446  -5.807
  104    HA   LEU  14           HA       LEU  14  13.827   4.510  -7.504
  105    HB2  LEU  14           HB2      LEU  14  13.893   5.022  -5.171
  106    HB3  LEU  14           HB1      LEU  14  15.565   4.513  -5.033
  107    HG   LEU  14           HG       LEU  14  16.322   6.435  -6.313
  108   HD11  LEU  14          HD11      LEU  14  14.569   8.161  -6.973
  109   HD12  LEU  14          HD12      LEU  14  13.359   6.907  -6.692
  110   HD13  LEU  14          HD13      LEU  14  14.591   6.684  -7.929
  111   HD21  LEU  14          HD21      LEU  14  15.787   6.694  -3.857
  112   HD22  LEU  14          HD22      LEU  14  14.226   7.367  -4.329
  113   HD23  LEU  14          HD23      LEU  14  15.716   8.200  -4.775
  114    H    ALA  15           HN       ALA  15  17.143   3.544  -6.562
  115    HA   ALA  15           HA       ALA  15  18.405   5.200  -8.460
  116    HB1  ALA  15           HB1      ALA  15  20.402   3.923  -8.035
  117    HB2  ALA  15           HB2      ALA  15  19.460   2.578  -7.390
  118    HB3  ALA  15           HB3      ALA  15  19.539   4.104  -6.508
  119    H    LEU  16           HN       LEU  16  16.964   2.023  -8.691
  120    HA   LEU  16           HA       LEU  16  18.151   1.194 -11.098
  121    HB2  LEU  16           HB2      LEU  16  15.601   0.553  -9.677
  122    HB3  LEU  16           HB1      LEU  16  15.806  -0.049 -11.315
  123    HG   LEU  16           HG       LEU  16  17.969  -0.489  -9.245
  124   HD11  LEU  16          HD11      LEU  16  15.375  -1.991  -9.593
  125   HD12  LEU  16          HD12      LEU  16  16.140  -1.430  -8.110
  126   HD13  LEU  16          HD13      LEU  16  16.817  -2.805  -8.975
  127   HD21  LEU  16          HD21      LEU  16  18.599  -1.046 -11.529
  128   HD22  LEU  16          HD22      LEU  16  17.092  -1.921 -11.790
  129   HD23  LEU  16          HD23      LEU  16  18.302  -2.561 -10.684
  130    H    TRP  17           HN       TRP  17  14.968   2.789 -10.596
  131    HA   TRP  17           HA       TRP  17  14.677   3.210 -13.421
  132    HB2  TRP  17           HB2      TRP  17  12.592   3.040 -12.425
  133    HB3  TRP  17           HB1      TRP  17  13.139   3.804 -10.934
  134    HD1  TRP  17           HD1      TRP  17  11.523   4.593 -14.277
  135    HE1  TRP  17           HE1      TRP  17  10.914   7.115 -14.303
  136    HE3  TRP  17           HE3      TRP  17  13.903   6.067 -10.077
  137    HZ2  TRP  17           HZ2      TRP  17  11.405   9.451 -12.705
  138    HZ3  TRP  17           HZ3      TRP  17  13.852   8.380  -9.332
  139    HH2  TRP  17           HH2      TRP  17  12.605  10.116 -10.622
  140    H    TRP  18           HN       TRP  18  15.553   5.397 -10.688
  141    HA   TRP  18           HA       TRP  18  15.717   7.784 -12.105
  142    HB2  TRP  18           HB2      TRP  18  16.030   7.617  -9.673
  143    HB3  TRP  18           HB1      TRP  18  17.541   6.789  -9.934
  144    HD1  TRP  18           HD1      TRP  18  16.079   9.992 -11.413
  145    HE1  TRP  18           HE1      TRP  18  17.872  11.850 -11.257
  146    HE3  TRP  18           HE3      TRP  18  19.760   7.384  -9.112
  147    HZ2  TRP  18           HZ2      TRP  18  20.554  12.153 -10.260
  148    HZ3  TRP  18           HZ3      TRP  18  21.916   8.446  -8.562
  149    HH2  TRP  18           HH2      TRP  18  22.328  10.830  -9.130
  150    H    ALA  19           HN       ALA  19  18.297   5.440 -11.486
  151    HA   ALA  19           HA       ALA  19  20.118   6.701 -13.316
  152    HB1  ALA  19           HB1      ALA  19  21.685   5.081 -12.642
  153    HB2  ALA  19           HB2      ALA  19  20.430   3.926 -12.195
  154    HB3  ALA  19           HB3      ALA  19  20.706   5.358 -11.203
  155    HA1  ETA  20           HA1      ETA  20  19.287   3.136 -16.155
  156    HA2  ETA  20           HA2      ETA  20  17.628   3.010 -15.564
  157    HN2  ETA  20           HN       ETA  20  18.961   3.345 -13.262
  158    HB1  ETA  20           HB1      ETA  20  19.047   0.828 -15.883
  159    HB2  ETA  20           HB2      ETA  20  18.070   1.001 -14.431
  160    HO   ETA  20           HG       ETA  20  19.792   1.378 -13.229
  Start of MODEL    7
    1    H1   ACE   0           HA2      ACE   0  16.015  -7.307  11.930
    2    H2   ACE   0           HA3      ACE   0  16.815  -7.661  13.460
    3    H3   ACE   0           HA1      ACE   0  17.030  -6.086  12.700
    4    H    GLY   1           HN       GLY   1  14.705  -5.062  12.159
    5    HA2  GLY   1           HA2      GLY   1  12.732  -5.548  14.215
    6    HA3  GLY   1           HA1      GLY   1  13.573  -4.007  14.308
    7    H    TRP   2           HN       TRP   2  12.262  -2.590  13.673
    8    HA   TRP   2           HA       TRP   2  10.154  -2.899  11.829
    9    HB2  TRP   2           HB2      TRP   2   9.556  -1.003  12.972
   10    HB3  TRP   2           HB1      TRP   2  11.185  -0.852  13.595
   11    HD1  TRP   2           HD1      TRP   2  12.627   0.970  12.680
   12    HE1  TRP   2           HE1      TRP   2  12.352   2.806  10.862
   13    HE3  TRP   2           HE3      TRP   2   8.302  -0.606  10.522
   14    HZ2  TRP   2           HZ2      TRP   2  10.513   3.480   8.772
   15    HZ3  TRP   2           HZ3      TRP   2   7.301   0.635   8.625
   16    HH2  TRP   2           HH2      TRP   2   8.399   2.676   7.746
   17    H    TRP   3           HN       TRP   3  13.539  -1.923  11.412
   18    HA   TRP   3           HA       TRP   3  13.476  -0.679   8.966
   19    HB2  TRP   3           HB2      TRP   3  15.782  -1.053   8.925
   20    HB3  TRP   3           HB1      TRP   3  15.425  -1.238  10.630
   21    HD1  TRP   3           HD1      TRP   3  15.647  -3.592  11.663
   22    HE1  TRP   3           HE1      TRP   3  16.705  -5.801  10.834
   23    HE3  TRP   3           HE3      TRP   3  16.195  -2.491   6.732
   24    HZ2  TRP   3           HZ2      TRP   3  17.651  -6.931   8.400
   25    HZ3  TRP   3           HZ3      TRP   3  17.172  -4.135   5.169
   26    HH2  TRP   3           HH2      TRP   3  17.903  -6.358   5.998
   27    H    LEU   4           HN       LEU   4  12.085  -3.652   9.429
   28    HA   LEU   4           HA       LEU   4  13.011  -4.979   7.088
   29    HB2  LEU   4           HB2      LEU   4  10.642  -5.351   8.891
   30    HB3  LEU   4           HB1      LEU   4  10.921  -6.376   7.490
   31    HG   LEU   4           HG       LEU   4  13.096  -5.965   9.561
   32   HD11  LEU   4          HD11      LEU   4  11.032  -8.179   9.613
   33   HD12  LEU   4          HD12      LEU   4  11.006  -6.787  10.689
   34   HD13  LEU   4          HD13      LEU   4  12.348  -7.927  10.756
   35   HD21  LEU   4          HD21      LEU   4  12.488  -8.076   7.451
   36   HD22  LEU   4          HD22      LEU   4  13.658  -8.344   8.736
   37   HD23  LEU   4          HD23      LEU   4  13.918  -7.051   7.578
   38    H    ALA   5           HN       ALA   5  10.720  -2.479   7.714
   39    HA   ALA   5           HA       ALA   5   9.060  -2.904   5.432
   40    HB1  ALA   5           HB1      ALA   5   9.527  -0.317   6.920
   41    HB2  ALA   5           HB2      ALA   5   8.428  -1.580   7.480
   42    HB3  ALA   5           HB3      ALA   5   8.121  -0.760   5.948
   43    H    LEU   6           HN       LEU   6  12.219  -1.725   5.846
   44    HA   LEU   6           HA       LEU   6  12.244   0.126   3.654
   45    HB2  LEU   6           HB2      LEU   6  14.275  -1.109   5.430
   46    HB3  LEU   6           HB1      LEU   6  14.815  -0.217   4.026
   47    HG   LEU   6           HG       LEU   6  12.855   1.018   5.947
   48   HD11  LEU   6          HD11      LEU   6  15.872   1.128   6.184
   49   HD12  LEU   6          HD12      LEU   6  14.799   0.250   7.269
   50   HD13  LEU   6          HD13      LEU   6  14.718   2.008   7.187
   51   HD21  LEU   6          HD21      LEU   6  14.011   3.105   5.137
   52   HD22  LEU   6          HD22      LEU   6  13.196   2.222   3.856
   53   HD23  LEU   6          HD23      LEU   6  14.944   2.106   4.030
   54    H    ALA   7           HN       ALA   7  12.616  -3.256   4.062
   55    HA   ALA   7           HA       ALA   7  14.100  -3.732   1.652
   56    HB1  ALA   7           HB1      ALA   7  12.489  -5.614   3.378
   57    HB2  ALA   7           HB2      ALA   7  14.216  -5.293   3.531
   58    HB3  ALA   7           HB3      ALA   7  13.592  -6.100   2.091
   59    H    LEU   8           HN       LEU   8  10.893  -2.929   2.290
   60    HA   LEU   8           HA       LEU   8   9.712  -4.400   0.081
   61    HB2  LEU   8           HB2      LEU   8   8.665  -2.423   2.090
   62    HB3  LEU   8           HB1      LEU   8   7.682  -2.968   0.733
   63    HG   LEU   8           HG       LEU   8   7.908  -5.292   1.453
   64   HD11  LEU   8          HD11      LEU   8  10.054  -5.442   2.430
   65   HD12  LEU   8          HD12      LEU   8   8.963  -5.625   3.802
   66   HD13  LEU   8          HD13      LEU   8   9.758  -4.079   3.508
   67   HD21  LEU   8          HD21      LEU   8   6.146  -3.755   2.439
   68   HD22  LEU   8          HD22      LEU   8   7.196  -3.571   3.844
   69   HD23  LEU   8          HD23      LEU   8   6.540  -5.156   3.436
   70    H    ALA   9           HN       ALA   9  11.074  -1.258   0.697
   71    HA   ALA   9           HA       ALA   9  10.850  -0.567  -2.108
   72    HB1  ALA   9           HB1      ALA   9   9.627   1.292  -0.072
   73    HB2  ALA   9           HB2      ALA   9   8.683   0.182  -1.066
   74    HB3  ALA   9           HB3      ALA   9   9.624   1.463  -1.828
   75    HA   PRO  10           HA       PRO  10  14.483   1.104   0.372
   76    HB2  PRO  10           HB2      PRO  10  16.443  -0.426  -0.698
   77    HB3  PRO  10           HB1      PRO  10  15.448  -0.992   0.659
   78    HG2  PRO  10           HG2      PRO  10  15.172  -1.603  -2.259
   79    HG3  PRO  10           HG1      PRO  10  15.090  -2.708  -0.869
   80    HD2  PRO  10           HD2      PRO  10  12.851  -1.767  -2.079
   81    HD3  PRO  10           HD1      PRO  10  12.904  -2.106  -0.333
   82    H    ALA  11           HN       ALA  11  16.718   1.803  -0.790
   83    HA   ALA  11           HA       ALA  11  15.981   3.653  -2.815
   84    HB1  ALA  11           HB1      ALA  11  18.660   2.789  -1.734
   85    HB2  ALA  11           HB2      ALA  11  17.791   4.290  -1.417
   86    HB3  ALA  11           HB3      ALA  11  18.502   4.001  -3.008
   87    H    LEU  12           HN       LEU  12  16.540   0.366  -3.030
   88    HA   LEU  12           HA       LEU  12  18.047   0.144  -5.400
   89    HB2  LEU  12           HB2      LEU  12  15.815  -1.695  -4.532
   90    HB3  LEU  12           HB1      LEU  12  17.176  -2.093  -5.580
   91    HG   LEU  12           HG       LEU  12  17.443  -1.213  -2.691
   92   HD11  LEU  12          HD11      LEU  12  17.843  -3.997  -3.810
   93   HD12  LEU  12          HD12      LEU  12  16.321  -3.472  -3.095
   94   HD13  LEU  12          HD13      LEU  12  17.786  -3.511  -2.116
   95   HD21  LEU  12          HD21      LEU  12  19.782  -2.309  -3.126
   96   HD22  LEU  12          HD22      LEU  12  19.492  -0.698  -3.772
   97   HD23  LEU  12          HD23      LEU  12  19.395  -2.101  -4.835
   98    H    ALA  13           HN       ALA  13  14.465  -0.044  -5.072
   99    HA   ALA  13           HA       ALA  13  13.961   0.004  -7.823
  100    HB1  ALA  13           HB1      ALA  13  12.179   1.222  -5.707
  101    HB2  ALA  13           HB2      ALA  13  12.287  -0.511  -6.017
  102    HB3  ALA  13           HB3      ALA  13  11.694   0.574  -7.274
  103    H    LEU  14           HN       LEU  14  15.022   2.524  -5.744
  104    HA   LEU  14           HA       LEU  14  14.110   4.685  -7.442
  105    HB2  LEU  14           HB2      LEU  14  14.215   5.192  -5.116
  106    HB3  LEU  14           HB1      LEU  14  15.830   4.525  -4.971
  107    HG   LEU  14           HG       LEU  14  16.773   6.367  -6.240
  108   HD11  LEU  14          HD11      LEU  14  15.206   8.249  -6.923
  109   HD12  LEU  14          HD12      LEU  14  13.871   7.132  -6.639
  110   HD13  LEU  14          HD13      LEU  14  15.072   6.777  -7.872
  111   HD21  LEU  14          HD21      LEU  14  16.206   8.228  -4.731
  112   HD22  LEU  14          HD22      LEU  14  16.343   6.722  -3.825
  113   HD23  LEU  14          HD23      LEU  14  14.751   7.375  -4.210
  114    H    ALA  15           HN       ALA  15  17.300   3.364  -6.505
  115    HA   ALA  15           HA       ALA  15  18.731   4.892  -8.398
  116    HB1  ALA  15           HB1      ALA  15  19.518   2.174  -7.336
  117    HB2  ALA  15           HB2      ALA  15  19.721   3.671  -6.426
  118    HB3  ALA  15           HB3      ALA  15  20.590   3.437  -7.943
  119    H    LEU  16           HN       LEU  16  16.983   1.873  -8.614
  120    HA   LEU  16           HA       LEU  16  18.071   0.912 -11.026
  121    HB2  LEU  16           HB2      LEU  16  15.622   0.404  -9.432
  122    HB3  LEU  16           HB1      LEU  16  15.455   0.013 -11.137
  123    HG   LEU  16           HG       LEU  16  17.204  -1.599 -11.057
  124   HD11  LEU  16          HD11      LEU  16  18.363  -1.807  -8.579
  125   HD12  LEU  16          HD12      LEU  16  18.128  -0.065  -8.679
  126   HD13  LEU  16          HD13      LEU  16  19.050  -0.896  -9.918
  127   HD21  LEU  16          HD21      LEU  16  16.430  -3.140  -9.316
  128   HD22  LEU  16          HD22      LEU  16  15.049  -2.253  -9.960
  129   HD23  LEU  16          HD23      LEU  16  15.736  -1.800  -8.400
  130    H    TRP  17           HN       TRP  17  15.118   2.891 -10.527
  131    HA   TRP  17           HA       TRP  17  14.862   3.284 -13.364
  132    HB2  TRP  17           HB2      TRP  17  12.768   3.364 -12.377
  133    HB3  TRP  17           HB1      TRP  17  13.393   4.068 -10.889
  134    HD1  TRP  17           HD1      TRP  17  11.885   5.005 -14.238
  135    HE1  TRP  17           HE1      TRP  17  11.550   7.578 -14.284
  136    HE3  TRP  17           HE3      TRP  17  14.404   6.241 -10.045
  137    HZ2  TRP  17           HZ2      TRP  17  12.289   9.858 -12.701
  138    HZ3  TRP  17           HZ3      TRP  17  14.603   8.553  -9.310
  139    HH2  TRP  17           HH2      TRP  17  13.552  10.403 -10.618
  140    H    TRP  18           HN       TRP  18  15.968   5.382 -10.652
  141    HA   TRP  18           HA       TRP  18  16.406   7.709 -12.111
  142    HB2  TRP  18           HB2      TRP  18  16.660   7.536  -9.666
  143    HB3  TRP  18           HB1      TRP  18  18.088   6.567  -9.900
  144    HD1  TRP  18           HD1      TRP  18  16.970   9.878 -11.456
  145    HE1  TRP  18           HE1      TRP  18  18.930  11.553 -11.284
  146    HE3  TRP  18           HE3      TRP  18  20.317   6.962  -9.026
  147    HZ2  TRP  18           HZ2      TRP  18  21.608  11.610 -10.223
  148    HZ3  TRP  18           HZ3      TRP  18  22.551   7.812  -8.437
  149    HH2  TRP  18           HH2      TRP  18  23.214  10.135  -9.029
  150    H    ALA  19           HN       ALA  19  18.713   5.112 -11.391
  151    HA   ALA  19           HA       ALA  19  20.668   6.120 -13.248
  152    HB1  ALA  19           HB1      ALA  19  21.130   4.799 -11.096
  153    HB2  ALA  19           HB2      ALA  19  22.053   4.351 -12.532
  154    HB3  ALA  19           HB3      ALA  19  20.679   3.367 -12.025
  155    HA1  ETA  20           HA1      ETA  20  16.909   3.378 -15.463
  156    HA2  ETA  20           HA2      ETA  20  18.520   2.713 -15.733
  157    HN2  ETA  20           HN       ETA  20  17.807   4.751 -13.821
  158    HB1  ETA  20           HB1      ETA  20  17.521   4.026 -17.672
  159    HB2  ETA  20           HB2      ETA  20  19.117   4.546 -17.152
  160    HO   ETA  20           HG       ETA  20  18.339   6.400 -16.643
  Start of MODEL    8
    1    H1   ACE   0           HA2      ACE   0  16.509  -7.768  13.639
    2    H2   ACE   0           HA3      ACE   0  16.860  -6.197  12.919
    3    H3   ACE   0           HA1      ACE   0  15.783  -7.325  12.094
    4    H    GLY   1           HN       GLY   1  14.592  -5.033  12.317
    5    HA2  GLY   1           HA2      GLY   1  12.569  -5.392  14.356
    6    HA3  GLY   1           HA1      GLY   1  13.475  -3.887  14.406
    7    H    TRP   2           HN       TRP   2  12.182  -2.449  13.731
    8    HA   TRP   2           HA       TRP   2  10.113  -2.759  11.845
    9    HB2  TRP   2           HB2      TRP   2   9.528  -0.802  12.882
   10    HB3  TRP   2           HB1      TRP   2  11.133  -0.680  13.570
   11    HD1  TRP   2           HD1      TRP   2  12.696   1.042  12.625
   12    HE1  TRP   2           HE1      TRP   2  12.539   2.842  10.757
   13    HE3  TRP   2           HE3      TRP   2   8.343  -0.387  10.420
   14    HZ2  TRP   2           HZ2      TRP   2  10.778   3.545   8.621
   15    HZ3  TRP   2           HZ3      TRP   2   7.440   0.854   8.473
   16    HH2  TRP   2           HH2      TRP   2   8.651   2.820   7.572
   17    H    TRP   3           HN       TRP   3  13.521  -1.899  11.457
   18    HA   TRP   3           HA       TRP   3  13.546  -0.724   8.980
   19    HB2  TRP   3           HB2      TRP   3  15.837  -1.175   8.994
   20    HB3  TRP   3           HB1      TRP   3  15.443  -1.317  10.694
   21    HD1  TRP   3           HD1      TRP   3  15.598  -3.645  11.777
   22    HE1  TRP   3           HE1      TRP   3  16.588  -5.907  11.012
   23    HE3  TRP   3           HE3      TRP   3  16.220  -2.684   6.824
   24    HZ2  TRP   3           HZ2      TRP   3  17.516  -7.130   8.611
   25    HZ3  TRP   3           HZ3      TRP   3  17.154  -4.398   5.311
   26    HH2  TRP   3           HH2      TRP   3  17.805  -6.621   6.197
   27    H    LEU   4           HN       LEU   4  12.026  -3.635   9.476
   28    HA   LEU   4           HA       LEU   4  12.945  -5.045   7.180
   29    HB2  LEU   4           HB2      LEU   4  10.542  -5.292   8.959
   30    HB3  LEU   4           HB1      LEU   4  10.769  -6.340   7.562
   31    HG   LEU   4           HG       LEU   4  12.983  -6.040   9.607
   32   HD11  LEU   4          HD11      LEU   4  10.883  -6.680  10.807
   33   HD12  LEU   4          HD12      LEU   4  12.120  -7.935  10.843
   34   HD13  LEU   4          HD13      LEU   4  10.750  -8.080   9.743
   35   HD21  LEU   4          HD21      LEU   4  13.407  -8.428   8.847
   36   HD22  LEU   4          HD22      LEU   4  13.623  -7.224   7.585
   37   HD23  LEU   4          HD23      LEU   4  12.158  -8.203   7.627
   38    H    ALA   5           HN       ALA   5  10.732  -2.453   7.705
   39    HA   ALA   5           HA       ALA   5   9.115  -2.869   5.392
   40    HB1  ALA   5           HB1      ALA   5   8.442  -1.506   7.386
   41    HB2  ALA   5           HB2      ALA   5   8.243  -0.667   5.848
   42    HB3  ALA   5           HB3      ALA   5   9.617  -0.286   6.888
   43    H    LEU   6           HN       LEU   6  12.297  -1.783   5.853
   44    HA   LEU   6           HA       LEU   6  12.429   0.045   3.650
   45    HB2  LEU   6           HB2      LEU   6  14.377  -1.252   5.470
   46    HB3  LEU   6           HB1      LEU   6  14.984  -0.417   4.059
   47    HG   LEU   6           HG       LEU   6  13.056   0.948   5.925
   48   HD11  LEU   6          HD11      LEU   6  14.958   1.881   7.162
   49   HD12  LEU   6          HD12      LEU   6  16.070   0.905   6.201
   50   HD13  LEU   6          HD13      LEU   6  14.935   0.126   7.295
   51   HD21  LEU   6          HD21      LEU   6  13.474   2.110   3.829
   52   HD22  LEU   6          HD22      LEU   6  15.214   1.898   4.011
   53   HD23  LEU   6          HD23      LEU   6  14.338   2.965   5.102
   54    H    ALA   7           HN       ALA   7  12.677  -3.369   4.063
   55    HA   ALA   7           HA       ALA   7  14.134  -3.862   1.628
   56    HB1  ALA   7           HB1      ALA   7  14.242  -5.436   3.509
   57    HB2  ALA   7           HB2      ALA   7  13.606  -6.223   2.065
   58    HB3  ALA   7           HB3      ALA   7  12.511  -5.738   3.360
   59    H    LEU   8           HN       LEU   8  10.964  -2.976   2.330
   60    HA   LEU   8           HA       LEU   8   9.679  -4.417   0.166
   61    HB2  LEU   8           HB2      LEU   8   8.767  -2.361   2.166
   62    HB3  LEU   8           HB1      LEU   8   7.731  -2.857   0.829
   63    HG   LEU   8           HG       LEU   8   7.797  -5.171   1.562
   64   HD11  LEU   8          HD11      LEU   8   9.837  -4.111   3.521
   65   HD12  LEU   8          HD12      LEU   8   9.986  -5.471   2.408
   66   HD13  LEU   8          HD13      LEU   8   8.961  -5.609   3.835
   67   HD21  LEU   8          HD21      LEU   8   6.671  -4.922   3.754
   68   HD22  LEU   8          HD22      LEU   8   6.142  -3.669   2.630
   69   HD23  LEU   8          HD23      LEU   8   7.309  -3.284   3.894
   70    H    ALA   9           HN       ALA   9  11.173  -1.309   0.693
   71    HA   ALA   9           HA       ALA   9  10.979  -0.695  -2.127
   72    HB1  ALA   9           HB1      ALA   9   9.793   1.378  -1.915
   73    HB2  ALA   9           HB2      ALA   9   9.753   1.237  -0.157
   74    HB3  ALA   9           HB3      ALA   9   8.810   0.126  -1.153
   75    HA   PRO  10           HA       PRO  10  14.603   1.005   0.331
   76    HB2  PRO  10           HB2      PRO  10  16.568  -0.544  -0.704
   77    HB3  PRO  10           HB1      PRO  10  15.568  -1.086   0.659
   78    HG2  PRO  10           HG2      PRO  10  15.315  -1.760  -2.246
   79    HG3  PRO  10           HG1      PRO  10  15.203  -2.831  -0.831
   80    HD2  PRO  10           HD2      PRO  10  12.988  -1.882  -2.099
   81    HD3  PRO  10           HD1      PRO  10  13.011  -2.210  -0.350
   82    H    ALA  11           HN       ALA  11  16.763   1.832  -0.763
   83    HA   ALA  11           HA       ALA  11  16.060   3.610  -2.826
   84    HB1  ALA  11           HB1      ALA  11  18.760   2.721  -1.816
   85    HB2  ALA  11           HB2      ALA  11  17.876   4.185  -1.382
   86    HB3  ALA  11           HB3      ALA  11  18.535   4.002  -3.010
   87    H    LEU  12           HN       LEU  12  16.654   0.308  -3.048
   88    HA   LEU  12           HA       LEU  12  18.152   0.131  -5.422
   89    HB2  LEU  12           HB2      LEU  12  15.948  -1.750  -4.567
   90    HB3  LEU  12           HB1      LEU  12  17.307  -2.117  -5.627
   91    HG   LEU  12           HG       LEU  12  17.577  -1.278  -2.724
   92   HD11  LEU  12          HD11      LEU  12  16.500  -3.556  -3.178
   93   HD12  LEU  12          HD12      LEU  12  17.960  -3.573  -2.190
   94   HD13  LEU  12          HD13      LEU  12  18.041  -4.032  -3.890
   95   HD21  LEU  12          HD21      LEU  12  19.933  -2.323  -3.185
   96   HD22  LEU  12          HD22      LEU  12  19.610  -0.710  -3.809
   97   HD23  LEU  12          HD23      LEU  12  19.531  -2.102  -4.889
   98    H    ALA  13           HN       ALA  13  14.575  -0.126  -5.093
   99    HA   ALA  13           HA       ALA  13  14.006  -0.075  -7.816
  100    HB1  ALA  13           HB1      ALA  13  12.334  -0.631  -6.121
  101    HB2  ALA  13           HB2      ALA  13  11.755   0.672  -7.158
  102    HB3  ALA  13           HB3      ALA  13  12.355   1.034  -5.539
  103    H    LEU  14           HN       LEU  14  15.000   2.491  -5.735
  104    HA   LEU  14           HA       LEU  14  14.070   4.620  -7.444
  105    HB2  LEU  14           HB2      LEU  14  14.200   5.164  -5.131
  106    HB3  LEU  14           HB1      LEU  14  15.813   4.484  -4.984
  107    HG   LEU  14           HG       LEU  14  16.759   6.317  -6.289
  108   HD11  LEU  14          HD11      LEU  14  15.221   8.208  -6.967
  109   HD12  LEU  14          HD12      LEU  14  13.862   7.141  -6.615
  110   HD13  LEU  14          HD13      LEU  14  15.006   6.724  -7.886
  111   HD21  LEU  14          HD21      LEU  14  16.171   8.215  -4.794
  112   HD22  LEU  14          HD22      LEU  14  16.441   6.723  -3.893
  113   HD23  LEU  14          HD23      LEU  14  14.798   7.289  -4.187
  114    H    ALA  15           HN       ALA  15  17.293   3.362  -6.539
  115    HA   ALA  15           HA       ALA  15  18.687   4.898  -8.443
  116    HB1  ALA  15           HB1      ALA  15  19.419   2.198  -7.286
  117    HB2  ALA  15           HB2      ALA  15  19.805   3.761  -6.566
  118    HB3  ALA  15           HB3      ALA  15  20.526   3.298  -8.107
  119    H    LEU  16           HN       LEU  16  16.860   1.951  -8.693
  120    HA   LEU  16           HA       LEU  16  17.915   0.932 -11.071
  121    HB2  LEU  16           HB2      LEU  16  15.671   0.410  -9.367
  122    HB3  LEU  16           HB1      LEU  16  15.074   0.415 -11.000
  123    HG   LEU  16           HG       LEU  16  15.707  -1.840 -10.424
  124   HD11  LEU  16          HD11      LEU  16  18.078  -1.131 -12.116
  125   HD12  LEU  16          HD12      LEU  16  16.495  -0.634 -12.713
  126   HD13  LEU  16          HD13      LEU  16  16.812  -2.331 -12.369
  127   HD21  LEU  16          HD21      LEU  16  17.443  -0.942  -8.650
  128   HD22  LEU  16          HD22      LEU  16  18.586  -1.030  -9.989
  129   HD23  LEU  16          HD23      LEU  16  17.748  -2.482  -9.452
  130    H    TRP  17           HN       TRP  17  15.024   2.981 -10.646
  131    HA   TRP  17           HA       TRP  17  14.835   3.434 -13.478
  132    HB2  TRP  17           HB2      TRP  17  12.722   3.524 -12.542
  133    HB3  TRP  17           HB1      TRP  17  13.327   4.175 -11.021
  134    HD1  TRP  17           HD1      TRP  17  11.905   5.248 -14.370
  135    HE1  TRP  17           HE1      TRP  17  11.614   7.825 -14.330
  136    HE3  TRP  17           HE3      TRP  17  14.351   6.287 -10.084
  137    HZ2  TRP  17           HZ2      TRP  17  12.356  10.035 -12.650
  138    HZ3  TRP  17           HZ3      TRP  17  14.574   8.569  -9.258
  139    HH2  TRP  17           HH2      TRP  17  13.581  10.483 -10.520
  140    H    TRP  18           HN       TRP  18  15.928   5.480 -10.701
  141    HA   TRP  18           HA       TRP  18  16.389   7.829 -12.094
  142    HB2  TRP  18           HB2      TRP  18  16.649   7.596  -9.665
  143    HB3  TRP  18           HB1      TRP  18  18.055   6.600  -9.917
  144    HD1  TRP  18           HD1      TRP  18  17.002   9.972 -11.377
  145    HE1  TRP  18           HE1      TRP  18  18.998  11.605 -11.164
  146    HE3  TRP  18           HE3      TRP  18  20.305   6.921  -9.053
  147    HZ2  TRP  18           HZ2      TRP  18  21.677  11.576 -10.118
  148    HZ3  TRP  18           HZ3      TRP  18  22.561   7.712  -8.452
  149    HH2  TRP  18           HH2      TRP  18  23.262  10.038  -8.977
  150    H    ALA  19           HN       ALA  19  18.674   5.196 -11.477
  151    HA   ALA  19           HA       ALA  19  20.643   6.257 -13.282
  152    HB1  ALA  19           HB1      ALA  19  21.983   4.391 -12.678
  153    HB2  ALA  19           HB2      ALA  19  20.579   3.458 -12.161
  154    HB3  ALA  19           HB3      ALA  19  21.114   4.847 -11.212
  155    HA1  ETA  20           HA1      ETA  20  16.845   3.454 -15.488
  156    HA2  ETA  20           HA2      ETA  20  18.440   2.761 -15.783
  157    HN2  ETA  20           HN       ETA  20  17.785   4.591 -13.719
  158    HB1  ETA  20           HB1      ETA  20  17.514   4.129 -17.693
  159    HB2  ETA  20           HB2      ETA  20  19.081   4.677 -17.109
  160    HO   ETA  20           HG       ETA  20  18.242   6.480 -16.502
  Start of MODEL    9
    1    H1   ACE   0           HA2      ACE   0  15.927  -6.979  13.092
    2    H2   ACE   0           HA3      ACE   0  14.651  -7.865  12.257
    3    H3   ACE   0           HA1      ACE   0  15.214  -8.410  13.836
    4    H    GLY   1           HN       GLY   1  14.034  -5.333  12.405
    5    HA2  GLY   1           HA2      GLY   1  11.900  -5.181  14.363
    6    HA3  GLY   1           HA1      GLY   1  13.128  -3.923  14.430
    7    H    TRP   2           HN       TRP   2  12.210  -2.249  13.705
    8    HA   TRP   2           HA       TRP   2  10.202  -2.104  11.735
    9    HB2  TRP   2           HB2      TRP   2  10.030  -0.052  12.742
   10    HB3  TRP   2           HB1      TRP   2  11.583  -0.297  13.511
   11    HD1  TRP   2           HD1      TRP   2  13.530   1.042  12.684
   12    HE1  TRP   2           HE1      TRP   2  13.899   2.805  10.814
   13    HE3  TRP   2           HE3      TRP   2   9.130   0.568  10.177
   14    HZ2  TRP   2           HZ2      TRP   2  12.488   3.848   8.559
   15    HZ3  TRP   2           HZ3      TRP   2   8.658   1.948   8.174
   16    HH2  TRP   2           HH2      TRP   2  10.331   3.590   7.361
   17    H    TRP   3           HN       TRP   3  13.733  -2.035  11.495
   18    HA   TRP   3           HA       TRP   3  14.114  -0.914   9.024
   19    HB2  TRP   3           HB2      TRP   3  16.240  -1.868   9.099
   20    HB3  TRP   3           HB1      TRP   3  15.780  -1.893  10.791
   21    HD1  TRP   3           HD1      TRP   3  15.351  -4.193  11.891
   22    HE1  TRP   3           HE1      TRP   3  15.845  -6.629  11.172
   23    HE3  TRP   3           HE3      TRP   3  16.371  -3.450   6.964
   24    HZ2  TRP   3           HZ2      TRP   3  16.572  -8.050   8.810
   25    HZ3  TRP   3           HZ3      TRP   3  16.959  -5.346   5.495
   26    HH2  TRP   3           HH2      TRP   3  17.062  -7.643   6.413
   27    H    LEU   4           HN       LEU   4  11.967  -3.406   9.440
   28    HA   LEU   4           HA       LEU   4  12.654  -5.015   7.200
   29    HB2  LEU   4           HB2      LEU   4  10.179  -4.647   8.848
   30    HB3  LEU   4           HB1      LEU   4  10.175  -5.702   7.437
   31    HG   LEU   4           HG       LEU   4  12.326  -6.022   9.546
   32   HD11  LEU   4          HD11      LEU   4   9.625  -7.384   9.611
   33   HD12  LEU   4          HD12      LEU   4  10.108  -6.079  10.693
   34   HD13  LEU   4          HD13      LEU   4  10.959  -7.622  10.737
   35   HD21  LEU   4          HD21      LEU   4  12.657  -7.312   7.508
   36   HD22  LEU   4          HD22      LEU   4  10.990  -7.881   7.539
   37   HD23  LEU   4          HD23      LEU   4  12.128  -8.422   8.767
   38    H    ALA   5           HN       ALA   5  11.119  -1.947   7.575
   39    HA   ALA   5           HA       ALA   5   9.607  -1.994   5.158
   40    HB1  ALA   5           HB1      ALA   5  10.636   0.454   6.595
   41    HB2  ALA   5           HB2      ALA   5   9.244  -0.470   7.165
   42    HB3  ALA   5           HB3      ALA   5   9.196   0.311   5.584
   43    H    LEU   6           HN       LEU   6  12.926  -1.747   5.817
   44    HA   LEU   6           HA       LEU   6  13.634  -0.062   3.595
   45    HB2  LEU   6           HB2      LEU   6  15.110  -1.667   5.608
   46    HB3  LEU   6           HB1      LEU   6  15.982  -1.038   4.231
   47    HG   LEU   6           HG       LEU   6  14.270   0.758   5.931
   48   HD11  LEU   6          HD11      LEU   6  15.762  -0.195   7.530
   49   HD12  LEU   6          HD12      LEU   6  16.445   1.370   7.098
   50   HD13  LEU   6          HD13      LEU   6  17.121  -0.108   6.412
   51   HD21  LEU   6          HD21      LEU   6  14.981   1.800   3.876
   52   HD22  LEU   6          HD22      LEU   6  16.619   1.177   4.050
   53   HD23  LEU   6          HD23      LEU   6  16.034   2.433   5.135
   54    H    ALA   7           HN       ALA   7  13.136  -3.431   4.161
   55    HA   ALA   7           HA       ALA   7  14.513  -4.271   1.734
   56    HB1  ALA   7           HB1      ALA   7  14.569  -5.651   3.807
   57    HB2  ALA   7           HB2      ALA   7  13.908  -6.516   2.419
   58    HB3  ALA   7           HB3      ALA   7  12.827  -5.879   3.659
   59    H    LEU   8           HN       LEU   8  11.412  -3.267   2.735
   60    HA   LEU   8           HA       LEU   8   9.973  -4.573   0.557
   61    HB2  LEU   8           HB2      LEU   8   9.060  -2.691   2.719
   62    HB3  LEU   8           HB1      LEU   8   8.002  -3.511   1.574
   63    HG   LEU   8           HG       LEU   8   9.858  -4.935   3.509
   64   HD11  LEU   8          HD11      LEU   8   8.007  -3.634   4.603
   65   HD12  LEU   8          HD12      LEU   8   7.903  -5.376   4.864
   66   HD13  LEU   8          HD13      LEU   8   6.852  -4.597   3.682
   67   HD21  LEU   8          HD21      LEU   8   9.437  -6.481   1.777
   68   HD22  LEU   8          HD22      LEU   8   7.828  -5.840   1.450
   69   HD23  LEU   8          HD23      LEU   8   8.108  -6.833   2.879
   70    H    ALA   9           HN       ALA   9  11.511  -1.577   1.264
   71    HA   ALA   9           HA       ALA   9  10.677  -0.498  -1.318
   72    HB1  ALA   9           HB1      ALA   9  10.167   1.724  -0.221
   73    HB2  ALA   9           HB2      ALA   9  10.139   0.868   1.320
   74    HB3  ALA   9           HB3      ALA   9   8.973   0.457   0.061
   75    HA   PRO  10           HA       PRO  10  15.061   0.396   0.107
   76    HB2  PRO  10           HB2      PRO  10  16.401  -1.194  -1.613
   77    HB3  PRO  10           HB1      PRO  10  15.745  -1.822  -0.093
   78    HG2  PRO  10           HG2      PRO  10  14.604  -2.009  -2.853
   79    HG3  PRO  10           HG1      PRO  10  14.733  -3.269  -1.603
   80    HD2  PRO  10           HD2      PRO  10  12.416  -1.901  -2.037
   81    HD3  PRO  10           HD1      PRO  10  12.881  -2.499  -0.427
   82    H    ALA  11           HN       ALA  11  16.449   1.855  -0.958
   83    HA   ALA  11           HA       ALA  11  15.372   3.446  -3.003
   84    HB1  ALA  11           HB1      ALA  11  17.022   4.410  -1.578
   85    HB2  ALA  11           HB2      ALA  11  17.718   4.364  -3.199
   86    HB3  ALA  11           HB3      ALA  11  18.202   3.166  -1.997
   87    H    LEU  12           HN       LEU  12  16.451   0.354  -3.328
   88    HA   LEU  12           HA       LEU  12  18.062   0.427  -5.631
   89    HB2  LEU  12           HB2      LEU  12  16.056  -1.662  -4.768
   90    HB3  LEU  12           HB1      LEU  12  17.275  -1.894  -6.018
   91    HG   LEU  12           HG       LEU  12  18.081  -1.006  -3.241
   92   HD11  LEU  12          HD11      LEU  12  17.782  -3.878  -4.166
   93   HD12  LEU  12          HD12      LEU  12  16.720  -3.071  -3.011
   94   HD13  LEU  12          HD13      LEU  12  18.415  -3.340  -2.610
   95   HD21  LEU  12          HD21      LEU  12  20.165  -2.297  -3.915
   96   HD22  LEU  12          HD22      LEU  12  19.850  -0.869  -4.892
   97   HD23  LEU  12          HD23      LEU  12  19.468  -2.470  -5.523
   98    H    ALA  13           HN       ALA  13  14.538  -0.243  -5.468
   99    HA   ALA  13           HA       ALA  13  14.030  -0.187  -8.182
  100    HB1  ALA  13           HB1      ALA  13  12.220   0.846  -5.991
  101    HB2  ALA  13           HB2      ALA  13  12.362  -0.840  -6.487
  102    HB3  ALA  13           HB3      ALA  13  11.716   0.358  -7.609
  103    H    LEU  14           HN       LEU  14  14.790   2.442  -6.073
  104    HA   LEU  14           HA       LEU  14  13.796   4.481  -7.884
  105    HB2  LEU  14           HB2      LEU  14  13.698   5.075  -5.588
  106    HB3  LEU  14           HB1      LEU  14  15.353   4.564  -5.295
  107    HG   LEU  14           HG       LEU  14  15.029   6.712  -7.374
  108   HD11  LEU  14          HD11      LEU  14  14.500   7.234  -4.440
  109   HD12  LEU  14          HD12      LEU  14  13.426   7.566  -5.799
  110   HD13  LEU  14          HD13      LEU  14  14.917   8.489  -5.609
  111   HD21  LEU  14          HD21      LEU  14  16.912   6.283  -5.017
  112   HD22  LEU  14          HD22      LEU  14  16.995   7.665  -6.105
  113   HD23  LEU  14          HD23      LEU  14  17.286   6.045  -6.725
  114    H    ALA  15           HN       ALA  15  16.977   3.351  -6.739
  115    HA   ALA  15           HA       ALA  15  18.459   4.977  -8.499
  116    HB1  ALA  15           HB1      ALA  15  19.141   2.308  -7.242
  117    HB2  ALA  15           HB2      ALA  15  19.553   3.907  -6.622
  118    HB3  ALA  15           HB3      ALA  15  20.298   3.319  -8.109
  119    H    LEU  16           HN       LEU  16  16.843   1.901  -8.914
  120    HA   LEU  16           HA       LEU  16  18.111   1.111 -11.303
  121    HB2  LEU  16           HB2      LEU  16  15.581   0.407  -9.898
  122    HB3  LEU  16           HB1      LEU  16  15.593   0.051 -11.620
  123    HG   LEU  16           HG       LEU  16  17.779  -1.188 -11.245
  124   HD11  LEU  16          HD11      LEU  16  18.122   0.042  -8.987
  125   HD12  LEU  16          HD12      LEU  16  18.529  -1.672  -9.062
  126   HD13  LEU  16          HD13      LEU  16  17.013  -1.159  -8.323
  127   HD21  LEU  16          HD21      LEU  16  15.736  -2.450 -11.483
  128   HD22  LEU  16          HD22      LEU  16  15.240  -2.070  -9.834
  129   HD23  LEU  16          HD23      LEU  16  16.613  -3.142 -10.118
  130    H    TRP  17           HN       TRP  17  14.991   2.822 -10.873
  131    HA   TRP  17           HA       TRP  17  14.844   3.422 -13.672
  132    HB2  TRP  17           HB2      TRP  17  12.697   3.306 -12.828
  133    HB3  TRP  17           HB1      TRP  17  13.212   3.839 -11.231
  134    HD1  TRP  17           HD1      TRP  17  11.867   5.160 -14.539
  135    HE1  TRP  17           HE1      TRP  17  11.337   7.676 -14.237
  136    HE3  TRP  17           HE3      TRP  17  13.932   5.909 -10.000
  137    HZ2  TRP  17           HZ2      TRP  17  11.763   9.735 -12.279
  138    HZ3  TRP  17           HZ3      TRP  17  13.892   8.090  -8.913
  139    HH2  TRP  17           HH2      TRP  17  12.805  10.044 -10.031
  140    H    TRP  18           HN       TRP  18  15.644   5.438 -10.757
  141    HA   TRP  18           HA       TRP  18  15.945   7.869 -12.059
  142    HB2  TRP  18           HB2      TRP  18  16.057   7.606  -9.636
  143    HB3  TRP  18           HB1      TRP  18  17.545   6.710  -9.793
  144    HD1  TRP  18           HD1      TRP  18  16.401  10.035 -11.293
  145    HE1  TRP  18           HE1      TRP  18  18.246  11.797 -10.864
  146    HE3  TRP  18           HE3      TRP  18  19.668   7.180  -8.685
  147    HZ2  TRP  18           HZ2      TRP  18  20.803  11.938  -9.558
  148    HZ3  TRP  18           HZ3      TRP  18  21.794   8.117  -7.853
  149    HH2  TRP  18           HH2      TRP  18  22.374  10.495  -8.282
  150    H    ALA  19           HN       ALA  19  18.441   5.456 -11.356
  151    HA   ALA  19           HA       ALA  19  20.401   6.778 -12.992
  152    HB1  ALA  19           HB1      ALA  19  20.805   5.297 -10.906
  153    HB2  ALA  19           HB2      ALA  19  21.913   5.140 -12.270
  154    HB3  ALA  19           HB3      ALA  19  20.646   3.939 -12.023
  155    HA1  ETA  20           HA1      ETA  20  18.393   4.267 -16.271
  156    HA2  ETA  20           HA2      ETA  20  17.356   3.167 -15.365
  157    HN2  ETA  20           HN       ETA  20  18.102   4.175 -13.416
  158    HB1  ETA  20           HB1      ETA  20  19.295   2.130 -16.702
  159    HB2  ETA  20           HB2      ETA  20  19.140   1.634 -15.022
  160    HO   ETA  20           HG       ETA  20  20.917   2.610 -14.515
  Start of MODEL   10
    1    H1   ACE   0           HA2      ACE   0  16.098  -6.873  13.182
    2    H2   ACE   0           HA3      ACE   0  14.863  -7.711  12.241
    3    H3   ACE   0           HA1      ACE   0  15.356  -8.343  13.811
    4    H    GLY   1           HN       GLY   1  14.128  -5.266  12.422
    5    HA2  GLY   1           HA2      GLY   1  11.994  -5.181  14.384
    6    HA3  GLY   1           HA1      GLY   1  13.177  -3.882  14.442
    7    H    TRP   2           HN       TRP   2  12.215  -2.230  13.691
    8    HA   TRP   2           HA       TRP   2  10.199  -2.194  11.715
    9    HB2  TRP   2           HB2      TRP   2   9.935  -0.139  12.686
   10    HB3  TRP   2           HB1      TRP   2  11.495  -0.301  13.464
   11    HD1  TRP   2           HD1      TRP   2  13.432   1.029  12.538
   12    HE1  TRP   2           HE1      TRP   2  13.698   2.794  10.652
   13    HE3  TRP   2           HE3      TRP   2   8.943   0.487  10.228
   14    HZ2  TRP   2           HZ2      TRP   2  12.170   3.814   8.455
   15    HZ3  TRP   2           HZ3      TRP   2   8.355   1.852   8.246
   16    HH2  TRP   2           HH2      TRP   2   9.962   3.517   7.354
   17    H    TRP   3           HN       TRP   3  13.725  -1.999  11.461
   18    HA   TRP   3           HA       TRP   3  14.076  -0.884   8.981
   19    HB2  TRP   3           HB2      TRP   3  16.236  -1.781   9.075
   20    HB3  TRP   3           HB1      TRP   3  15.765  -1.797  10.761
   21    HD1  TRP   3           HD1      TRP   3  15.397  -4.084  11.892
   22    HE1  TRP   3           HE1      TRP   3  15.943  -6.515  11.204
   23    HE3  TRP   3           HE3      TRP   3  16.400  -3.389   6.955
   24    HZ2  TRP   3           HZ2      TRP   3  16.698  -7.957   8.868
   25    HZ3  TRP   3           HZ3      TRP   3  17.027  -5.291   5.514
   26    HH2  TRP   3           HH2      TRP   3  17.178  -7.574   6.462
   27    H    LEU   4           HN       LEU   4  12.009  -3.433   9.424
   28    HA   LEU   4           HA       LEU   4  12.714  -5.049   7.200
   29    HB2  LEU   4           HB2      LEU   4  10.239  -4.727   8.858
   30    HB3  LEU   4           HB1      LEU   4  10.313  -5.859   7.513
   31    HG   LEU   4           HG       LEU   4  12.431  -5.912   9.681
   32   HD11  LEU   4          HD11      LEU   4   9.875  -7.534   9.727
   33   HD12  LEU   4          HD12      LEU   4  10.142  -6.104  10.724
   34   HD13  LEU   4          HD13      LEU   4  11.158  -7.526  10.932
   35   HD21  LEU   4          HD21      LEU   4  11.354  -7.920   7.664
   36   HD22  LEU   4          HD22      LEU   4  12.401  -8.384   8.999
   37   HD23  LEU   4          HD23      LEU   4  12.991  -7.275   7.770
   38    H    ALA   5           HN       ALA   5  11.052  -2.036   7.556
   39    HA   ALA   5           HA       ALA   5   9.499  -2.201   5.159
   40    HB1  ALA   5           HB1      ALA   5   9.010  -0.683   7.100
   41    HB2  ALA   5           HB2      ALA   5   9.025   0.126   5.532
   42    HB3  ALA   5           HB3      ALA   5  10.405   0.284   6.621
   43    H    LEU   6           HN       LEU   6  12.802  -1.765   5.775
   44    HA   LEU   6           HA       LEU   6  13.404  -0.045   3.553
   45    HB2  LEU   6           HB2      LEU   6  14.972  -1.630   5.512
   46    HB3  LEU   6           HB1      LEU   6  15.795  -0.953   4.128
   47    HG   LEU   6           HG       LEU   6  14.054   0.790   5.854
   48   HD11  LEU   6          HD11      LEU   6  16.017   1.374   7.203
   49   HD12  LEU   6          HD12      LEU   6  16.977   0.179   6.329
   50   HD13  LEU   6          HD13      LEU   6  15.646  -0.339   7.351
   51   HD21  LEU   6          HD21      LEU   6  16.467   1.267   4.078
   52   HD22  LEU   6          HD22      LEU   6  15.748   2.507   5.101
   53   HD23  LEU   6          HD23      LEU   6  14.813   1.802   3.786
   54    H    ALA   7           HN       ALA   7  13.003  -3.438   4.086
   55    HA   ALA   7           HA       ALA   7  14.383  -4.226   1.651
   56    HB1  ALA   7           HB1      ALA   7  12.645  -5.918   3.452
   57    HB2  ALA   7           HB2      ALA   7  14.356  -5.616   3.751
   58    HB3  ALA   7           HB3      ALA   7  13.853  -6.473   2.292
   59    H    LEU   8           HN       LEU   8  11.287  -3.155   2.562
   60    HA   LEU   8           HA       LEU   8   9.860  -4.473   0.381
   61    HB2  LEU   8           HB2      LEU   8   8.889  -2.466   2.400
   62    HB3  LEU   8           HB1      LEU   8   7.887  -3.445   1.326
   63    HG   LEU   8           HG       LEU   8   9.729  -4.533   3.478
   64   HD11  LEU   8          HD11      LEU   8   7.772  -4.958   4.774
   65   HD12  LEU   8          HD12      LEU   8   6.708  -4.588   3.417
   66   HD13  LEU   8          HD13      LEU   8   7.608  -3.293   4.209
   67   HD21  LEU   8          HD21      LEU   8   7.921  -5.826   1.423
   68   HD22  LEU   8          HD22      LEU   8   8.262  -6.647   2.946
   69   HD23  LEU   8          HD23      LEU   8   9.579  -6.249   1.849
   70    H    ALA   9           HN       ALA   9  11.431  -1.468   1.061
   71    HA   ALA   9           HA       ALA   9  10.744  -0.489  -1.597
   72    HB1  ALA   9           HB1      ALA   9  10.269   1.287   0.796
   73    HB2  ALA   9           HB2      ALA   9   8.981   0.377   0.009
   74    HB3  ALA   9           HB3      ALA   9   9.865   1.610  -0.891
   75    HA   PRO  10           HA       PRO  10  15.022   0.497   0.141
   76    HB2  PRO  10           HB2      PRO  10  16.478  -1.110  -1.506
   77    HB3  PRO  10           HB1      PRO  10  15.812  -1.682   0.031
   78    HG2  PRO  10           HG2      PRO  10  14.746  -2.054  -2.738
   79    HG3  PRO  10           HG1      PRO  10  14.862  -3.231  -1.409
   80    HD2  PRO  10           HD2      PRO  10  12.528  -1.967  -1.993
   81    HD3  PRO  10           HD1      PRO  10  12.963  -2.420  -0.327
   82    H    ALA  11           HN       ALA  11  16.515   1.895  -0.884
   83    HA   ALA  11           HA       ALA  11  15.548   3.525  -2.932
   84    HB1  ALA  11           HB1      ALA  11  18.347   3.112  -1.890
   85    HB2  ALA  11           HB2      ALA  11  17.221   4.410  -1.488
   86    HB3  ALA  11           HB3      ALA  11  17.944   4.333  -3.099
   87    H    LEU  12           HN       LEU  12  16.610   0.396  -3.219
   88    HA   LEU  12           HA       LEU  12  18.177   0.453  -5.553
   89    HB2  LEU  12           HB2      LEU  12  16.202  -1.647  -4.648
   90    HB3  LEU  12           HB1      LEU  12  17.430  -1.881  -5.887
   91    HG   LEU  12           HG       LEU  12  18.191  -0.953  -3.112
   92   HD11  LEU  12          HD11      LEU  12  18.625  -3.325  -2.534
   93   HD12  LEU  12          HD12      LEU  12  17.873  -3.819  -4.050
   94   HD13  LEU  12          HD13      LEU  12  16.912  -3.017  -2.810
   95   HD21  LEU  12          HD21      LEU  12  20.315  -2.201  -3.762
   96   HD22  LEU  12          HD22      LEU  12  19.979  -0.777  -4.739
   97   HD23  LEU  12          HD23      LEU  12  19.637  -2.383  -5.377
   98    H    ALA  13           HN       ALA  13  14.658  -0.226  -5.299
   99    HA   ALA  13           HA       ALA  13  14.083  -0.207  -7.998
  100    HB1  ALA  13           HB1      ALA  13  11.787   0.313  -7.368
  101    HB2  ALA  13           HB2      ALA  13  12.325   0.892  -5.791
  102    HB3  ALA  13           HB3      ALA  13  12.481  -0.815  -6.204
  103    H    LEU  14           HN       LEU  14  14.870   2.462  -5.935
  104    HA   LEU  14           HA       LEU  14  13.875   4.470  -7.776
  105    HB2  LEU  14           HB2      LEU  14  13.814   5.105  -5.490
  106    HB3  LEU  14           HB1      LEU  14  15.473   4.597  -5.215
  107    HG   LEU  14           HG       LEU  14  15.122   6.704  -7.331
  108   HD11  LEU  14          HD11      LEU  14  13.527   7.551  -5.695
  109   HD12  LEU  14          HD12      LEU  14  14.994   8.526  -5.648
  110   HD13  LEU  14          HD13      LEU  14  14.696   7.324  -4.393
  111   HD21  LEU  14          HD21      LEU  14  17.386   6.047  -6.694
  112   HD22  LEU  14          HD22      LEU  14  17.030   6.318  -4.991
  113   HD23  LEU  14          HD23      LEU  14  17.101   7.681  -6.101
  114    H    ALA  15           HN       ALA  15  17.082   3.367  -6.658
  115    HA   ALA  15           HA       ALA  15  18.531   4.949  -8.485
  116    HB1  ALA  15           HB1      ALA  15  20.421   3.587  -7.945
  117    HB2  ALA  15           HB2      ALA  15  19.392   2.252  -7.432
  118    HB3  ALA  15           HB3      ALA  15  19.465   3.730  -6.471
  119    H    LEU  16           HN       LEU  16  16.892   1.872  -8.809
  120    HA   LEU  16           HA       LEU  16  18.129   1.003 -11.191
  121    HB2  LEU  16           HB2      LEU  16  15.603   0.374  -9.741
  122    HB3  LEU  16           HB1      LEU  16  15.585  -0.018 -11.456
  123    HG   LEU  16           HG       LEU  16  17.742  -1.294 -11.096
  124   HD11  LEU  16          HD11      LEU  16  18.163  -0.016  -8.872
  125   HD12  LEU  16          HD12      LEU  16  18.562  -1.729  -8.938
  126   HD13  LEU  16          HD13      LEU  16  17.075  -1.203  -8.157
  127   HD21  LEU  16          HD21      LEU  16  15.284  -2.136  -9.516
  128   HD22  LEU  16          HD22      LEU  16  16.593  -3.223  -9.988
  129   HD23  LEU  16          HD23      LEU  16  15.594  -2.455 -11.223
  130    H    TRP  17           HN       TRP  17  15.021   2.739 -10.765
  131    HA   TRP  17           HA       TRP  17  14.846   3.295 -13.567
  132    HB2  TRP  17           HB2      TRP  17  12.708   3.195 -12.697
  133    HB3  TRP  17           HB1      TRP  17  13.242   3.757 -11.118
  134    HD1  TRP  17           HD1      TRP  17  11.874   5.017 -14.435
  135    HE1  TRP  17           HE1      TRP  17  11.340   7.539 -14.173
  136    HE3  TRP  17           HE3      TRP  17  13.970   5.842  -9.928
  137    HZ2  TRP  17           HZ2      TRP  17  11.777   9.631 -12.246
  138    HZ3  TRP  17           HZ3      TRP  17  13.935   8.036  -8.874
  139    HH2  TRP  17           HH2      TRP  17  12.837   9.972 -10.011
  140    H    TRP  18           HN       TRP  18  15.661   5.363 -10.691
  141    HA   TRP  18           HA       TRP  18  15.951   7.761 -12.046
  142    HB2  TRP  18           HB2      TRP  18  16.099   7.541  -9.614
  143    HB3  TRP  18           HB1      TRP  18  17.599   6.667  -9.781
  144    HD1  TRP  18           HD1      TRP  18  16.358   9.949 -11.306
  145    HE1  TRP  18           HE1      TRP  18  18.188  11.744 -10.966
  146    HE3  TRP  18           HE3      TRP  18  19.748   7.183  -8.769
  147    HZ2  TRP  18           HZ2      TRP  18  20.786  11.943  -9.746
  148    HZ3  TRP  18           HZ3      TRP  18  21.884   8.164  -8.021
  149    HH2  TRP  18           HH2      TRP  18  22.415  10.541  -8.503
  150    H    ALA  19           HN       ALA  19  18.460   5.357 -11.338
  151    HA   ALA  19           HA       ALA  19  20.383   6.649 -13.049
  152    HB1  ALA  19           HB1      ALA  19  21.924   5.059 -12.292
  153    HB2  ALA  19           HB2      ALA  19  20.682   3.838 -12.011
  154    HB3  ALA  19           HB3      ALA  19  20.826   5.222 -10.923
  155    HA1  ETA  20           HA1      ETA  20  17.105   3.313 -15.385
  156    HA2  ETA  20           HA2      ETA  20  18.809   3.029 -15.736
  157    HN2  ETA  20           HN       ETA  20  17.763   4.654 -13.616
  158    HB1  ETA  20           HB1      ETA  20  17.493   4.251 -17.538
  159    HB2  ETA  20           HB2      ETA  20  18.958   5.058 -16.996
  160    HO   ETA  20           HG       ETA  20  17.315   5.991 -15.357