*HEADER    MEMBRANE PROTEIN                        21-OCT-03   1R7G              
*TITLE     NMR STRUCTURE OF THE MEMBRANE ANCHOR DOMAIN (1-31) OF THE             
*TITLE    2 NONSTRUCTURAL PROTEIN 5A (NS5A) OF HEPATITIS C VIRUS                 
*TITLE    3 (MINIMIZED AVERAGE STRUCTURE, SAMPLE IN 100MM DPC)                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GENOME POLYPROTEIN;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NONSTRUCTURAL PROTEIN NS5A (P56)(RESIDUES 1973-            
*COMPND   5 2003 OF SWISS-PROT SEQUENCE P27958);                                 
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE IS NATURALLY FOUND IN HEPATITIS C VIRUS.                    
*KEYWDS    MEMBRANE ANCHOR DOMAIN, HCV NS5A PROTEIN, NMR STRUCTURE,              
*KEYWDS   2 PEPTIDE.                                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    F.PENIN, V.BRASS, N.APPEL, S.RAMBOARINA, R.MONTSERRET,                
*AUTHOR   2 D.FICHEUX, H.E.BLUM, R.BARTENSCHLAGER, D.MORADPOUR                   
*REVDAT   1   10-AUG-04 1R7G    0                                                

!
! NS5A Nter DPC + dtt, 40C pH 6 
!
! TRP 4
!
assign (resid 4 and name HB1        )(resid 4 and name HD1  )  3.9 2.1 0.39
assign (resid 4 and name HB2        )(resid 6 and name HN  )  5.0 3.2 0.5
assign (resid 4 and name HB2        )(resid 4 and name HD1  )  3.9 2.1 0.39
assign (resid 4 and name HE3        )(resid 5 and name HA  )  5.0 3.2 0.5
assign (resid 4 and name HE3        )(resid 5 and name HB#  )  3.9 2.1 1.39
assign (resid 4 and name HE3        )(resid 8 and name HG11  )  5.0 3.2 0.5
assign (resid 4 and name HE3        )(resid 8 and name HG2#  )  3.9 2.1 1.39
!
! LEU 5
!
assign (resid 5 and name HN        )(resid 5 and name HA  )  2.8 1 0.28
assign (resid 5 and name HN        )(resid 5 and name HB#  )  3.9 2.1 1.39
assign (resid 5 and name HN        )(resid 5 and name HD1#  )  5.0 3.2 1.5 
assign (resid 5 and name HN        )(resid 5 and name HD2#  )  5.0 3.2 1.5 
assign (resid 5 and name HA        )(resid 5 and name HB#  )  2.8 1 1.28
assign (resid 5 and name HA        )(resid 5 and name HD1#  ) 5.0 3.2 1.5  
assign (resid 5 and name HA        )(resid 5 and name HD2#  ) 5.0 3.2 1.5 
assign (resid 5 and name HA        )(resid 6 and name HN  )  3.9 2.1 0.39
assign (resid 5 and name HA        )(resid 8 and name HN  )  3.9 2.1 0.39 
assign (resid 5 and name HD1#        )(resid 6 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HD2#        )(resid 6 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HD1#        )(resid 7 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HD2#        )(resid 7 and name HN  )  5.0 3.2 1.5
assign (resid 5 and name HB#        )(resid 6 and name HN  )  3.9 2.1 1.39
assign (resid 5 and name HA        )(resid 8 and name HB  )  3.9 2.1 0.39
!
! ARG 6
!
assign (resid 6 and name HN        )(resid 6 and name HA  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HB1  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HB2  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 6 and name HG#  )  3.9 2.1 1.39
assign (resid 6 and name HN        )(resid 7 and name HN  )  2.8 1 0.28
assign (resid 6 and name HA        )(resid 6 and name HB1  )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 6 and name HB2  )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 6 and name HG#  )  3.9 2.1 1.39
assign (resid 6 and name HA        )(resid 6 and name HD#  )  3.9 2.1 1.39
assign (resid 6 and name HA        )(resid 7 and name HN  )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 9 and name HN  )  3.9 2.1 0.39
assign (resid 6 and name HA        )(resid 9 and name HB1  ) 3.9 2.1 0.39 
assign (resid 6 and name HA        )(resid 9 and name HB2  )  3.9 2.1 0.39
assign (resid 6 and name HB1        )(resid 7 and name HN  )  3.9 2.1 0.39
assign (resid 6 and name HB2        )(resid 7 and name HN  )  3.9 2.1 0.39
assign (resid 6 and name HD#        )(resid 6 and name HB1  )  5.0 3.2 1.5
assign (resid 6 and name HD#        )(resid 6 and name HB2  )  5.0 3.2 1.5
assign (resid 6 and name HD#        )(resid 6 and name HG#  )  5.0 3.2 2.5
!
! ASP 7
!
assign (resid 7 and name HN        )(resid 7 and name HA  )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 7 and name HB1  )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 7 and name HB2  )  2.8 1 0.28
assign (resid 7 and name HA        )(resid 10 and name HN  ) 5.0 3.2 0.5 
assign (resid 7 and name HA        )(resid 8 and name HN  )  3.9 2.1 0.39
assign (resid 7 and name HB1        )(resid 8 and name HN  )  3.9 2.1 0.39
assign (resid 7 and name HB1        )(resid 8 and name HN  )  3.9 2.1 0.39
!
! ILE 8
!
assign (resid 8 and name HN        )(resid 8 and name HA  )  3.9 2.1 0.39
assign (resid 8 and name HN        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 8 and name HN        )(resid 8 and name HG11  ) 5.0 3.2 1.5  
assign (resid 8 and name HN        )(resid 8 and name HG12  ) 5.0 3.2 1.5 
assign (resid 8 and name HN        )(resid 8 and name HG2#  ) 5.0 3.2 1.5 
assign (resid 8 and name HN        )(resid 9 and name HN  )  2.8 1 0.28
assign (resid 8 and name HA        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 8 and name HG11  )  5.0 3.2 0.5
assign (resid 8 and name HA        )(resid 8 and name HG12  )  5.0 3.2 0.5
assign (resid 8 and name HA        )(resid 8 and name HG2#  )  5.0 3.2 1.5
assign (resid 8 and name HA        )(resid 9 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HB1  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HB2  )  3.9 2.1 0.39
assign (resid 8 and name HB        )(resid 9 and name HN  )  3.9 2.1 0.39
assign (resid 8 and name HG11        )(resid 9 and name HA  )  5.0 3.2 0.5
assign (resid 8 and name HG2#        )(resid 9 and name HN  )  5.0 3.2 1.5
!
! TRP 9
!
assign (resid 9 and name HN        )(resid 9 and name HA  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 9 and name HB1  )  2.8 2.1 0.28
assign (resid 9 and name HN        )(resid 9 and name HB2  )  2.8 2.1 1.28
assign (resid 9 and name HN        )(resid 10 and name HN  )  2.8 1 0.28
assign (resid 9 and name HA        )(resid 9 and name HB1  )  3.9 2.1 0.39
assign (resid 9 and name HA        )(resid 9 and name HB2  )  5.0 3.2 0.5
assign (resid 9 and name HA        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HA        )(resid 12 and name HB  )  3.9 2.1 0.39
assign (resid 9 and name HB1        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HB2        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HB1        )(resid 9 and name HD1  )  3.9 2.1 0.39
assign (resid 9 and name HB2        )(resid 9 and name HE3  )  3.9 2.1 0.39
assign (resid 9 and name HD1        )(resid 12 and name HB  )  5.0 3.2 0.5 
assign (resid 9 and name HD1        )(resid 12 and name HG2#  ) 5.0 3.2 0.5 
assign (resid 9 and name HD1        )(resid 12 and name HD1#  ) 5.0 3.2 0.5 
!
! ASP 10
!
assign (resid 10 and name HN        )(resid 10 and name HA  )  2.8 1 0.28
assign (resid 10 and name HN        )(resid 10 and name HB1  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid 10 and name HB2  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid 11 and name HN  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 10 and name HB1  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 10 and name HB2  )  2.8 1 0.28
assign (resid 10 and name HA        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HB1  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 13 and name HB2  )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 14 and name HN  )   3.9 2.1 0.39
assign (resid 10 and name HB1        )(resid 10 and name HB2  )  2.8 1 0.28
assign (resid 10 and name HB1        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 10 and name HB2        )(resid 11 and name HN  )  3.9 2.1 0.39
!
! TRP 11
!
assign (resid 11 and name HN        )(resid 11 and name HA  )  2.8 1 0.28
assign (resid 11 and name HN        )(resid 11 and name HB1  )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 11 and name HB2  )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 12 and name HN  )  2.8 1 0.28
assign (resid 11 and name HA        )(resid 11 and name HB1  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 11 and name HB2  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 12 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 14 and name HN  )  5.0 3.2 0.5 
assign (resid 11 and name HA        )(resid 14 and name HB1  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 14 and name HB2  )  3.9 2.1 0.39
assign (resid 11 and name HB1        )(resid 11 and name HB2  )  2.8 1 0.28
assign (resid 11 and name HB1        )(resid 11 and name HD1  )  5.0 3.2 0.5
assign (resid 11 and name HB1        )(resid 11 and name HE3  )  5.0 3.2 0.5
assign (resid 11 and name HB1        )(resid 12 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HB2        )(resid 12 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HB2        )(resid 11 and name HD1  )  5.0 3.2 0.5 
assign (resid 11 and name HB2        )(resid 11 and name HE3  )  5.0 3.2 0.5
assign (resid 11 and name HD1        )(resid 12 and name HA  )  5.0 3.2 0.5 
assign (resid 11 and name HD1        )(resid 12 and name HB  )  3.9 2.1 0.39
assign (resid 11 and name HD1        )(resid 12 and name HG11  )  5.0 3.2 0.5
assign (resid 11 and name HD1        )(resid 12 and name HG2#  )  5.0 3.2 1.5
assign (resid 11 and name HZ3        )(resid 12 and name HD1#  )  5.0 3.2 1.5
assign (resid 11 and name HZ3        )(resid 12 and name HD2#  )  5.0 3.2 1.5
!
! ILE 12
!
assign (resid 12 and name HN        )(resid 12 and name HA  )  2.8 1 0.28
assign (resid 12 and name HN        )(resid 12 and name HB  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid 12 and name HG1#  ) 5.0 3.2 1.5
assign (resid 12 and name HN        )(resid 12 and name HG2#  ) 5.0 3.2 1.5
assign (resid 12 and name HN        )(resid 12 and name HD1#  ) 5.0 3.2 1.5
assign (resid 12 and name HN        )(resid 12 and name HD2#  ) 5.0 3.2 1.5
assign (resid 12 and name HN        )(resid 13 and name HN  )  2.8 1 0.28
assign (resid 12 and name HA        )(resid 12 and name HB  )  2.8 1 0.28
assign (resid 12 and name HA        )(resid 12 and name HG1#  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 12 and name HG2#  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 12 and name HD1#  )  5.0 3.2 1.5 
assign (resid 12 and name HA        )(resid 12 and name HD2#  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HA        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HA        )(resid 15 and name HB  )  3.9 2.1 0.39 
assign (resid 12 and name HB        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HD1#        )(resid 13 and name HA  )  5.0 3.2 1.5
assign (resid 12 and name HD2#        )(resid 13 and name HA  )  5.0 3.2 1.5
assign (resid 12 and name HB        )(resid 12 and name HG2#  )  3.9 2.1 1.39
assign (resid 12 and name HB        )(resid 12 and name HD1#  )  3.9 2.1 1.39
assign (resid 12 and name HG1        )(resid 12 and name HG2#  )  3.9 2.1 1.39
assign (resid 12 and name HG1        )(resid 12 and name HD1#  )  3.9 2.1 1.39
assign (resid 12 and name HG1        )(resid 12 and name HD2#  )  3.9 2.1 1.39
!
! CYS 13
!
assign (resid 13 and name HN        )(resid 13 and name HA  )  2.8 1 0.28
assign (resid 13 and name HN        )(resid 13 and name HB1  )  2.8 1 0.28
assign (resid 13 and name HN        )(resid 13 and name HB2  )  2.8 1 0.28
assign (resid 13 and name HN        )(resid 14 and name HN  )  2.8 1 0.28
assign (resid 13 and name HA        )(resid 13 and name HB1  )  2.8 1 0.28
assign (resid 13 and name HA        )(resid 13 and name HB2  )  2.8 1 0.28
assign (resid 13 and name HA        )(resid 14 and name HN  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 16 and name HB1  ) 3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 16 and name HB2  )  3.9 2.1 0.39
assign (resid 13 and name HB1        )(resid 13 and name HB2  )  2.8 1 0.28
assign (resid 13 and name HB1        )(resid 14 and name HN  )  5.0 3.2 0.5
assign (resid 13 and name HB2        )(resid 14 and name HN  )  5.0 3.2 0.5
!
! GLU 14
!
assign (resid 14 and name HN        )(resid 14 and name HA  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 14 and name HB1  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 14 and name HB2  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 15 and name HN  )  2.8 1 0.28 
assign (resid 14 and name HA        )(resid 14 and name HB1  )  3.9 2.1 0.39
assign (resid 14 and name HA        )(resid 14 and name HB2  )  3.9 2.1 0.39
assign (resid 14 and name HA        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 14 and name HB1        )(resid 14 and name HB2  )  2.8 1 0.28
assign (resid 14 and name HB1        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 14 and name HB2        )(resid 15 and name HN  )  5.0 3.2 0.5
!
! VAL 15
!
assign (resid 15 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
assign (resid 15 and name HN        )(resid 15 and name HB  )  3.9 2.1 0.39
assign (resid 15 and name HN        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 15 and name HA        )(resid 15 and name HB  )  3.9 2.1 0.39
assign (resid 15 and name HA        )(resid 16 and name HN  )  3.9 2.1 0.39
assign (resid 15 and name HB        )(resid 16 and name HN  )  2.8 1 0.28 
!
! LEU 16
!
assign (resid 16 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 16 and name HB#  )  3.9 2.1 1.39
assign (resid 16 and name HN        )(resid 15 and name HN  )  2.8 1 0.28 
assign (resid 16 and name HA        )(resid 19 and name HN  )  2.8 1 0.28 
assign (resid 16 and name HA        )(resid 19 and name HB#  ) 2.8 1 0.28 
!
! SER 17
!
assign (resid 17 and name HN        )(resid 17 and name HA  )  2.8 1 0.28
assign (resid 17 and name HN        )(resid 17 and name HB#  )  2.8 1 1.28
assign (resid 17 and name HA        )(resid 17 and name HB#  )  3.9 2.1 1.39
assign (resid 17 and name HA        )(resid 20 and name HN  )  3.9 2.1 0.39
assign (resid 17 and name HA        )(resid 20 and name HB1  )  2.8 1 0.28
!
! ASP 18
!
assign (resid 18 and name HN        )(resid 18 and name HA  )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 18 and name HB1  )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 18 and name HB2  )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 19 and name HN  )  2.8 1 0.28
assign (resid 18 and name HA        )(resid 18 and name HB1  )  5.0 3.2 0.5
assign (resid 18 and name HA        )(resid 21 and name HB  )  3.9 2.1 0.39
assign (resid 18 and name HA        )(resid 21 and name HG#  )  3.9 2.1 0.39
assign (resid 18 and name HB1        )(resid 19 and name HN  )  5.0 3.2 0.5
assign (resid 18 and name HB2        )(resid 19 and name HN  )  5.0 3.2 0.5
!
! PHE 19
!
assign (resid 19 and name HN        )(resid 19 and name HA  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 20 and name HN  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 19 and name HB#  )  3.9 2.1 1.39
assign (resid 19 and name HA        )(resid 19 and name HB#  )  3.9 2.1 1.39
assign (resid 19 and name HA        )(resid 19 and name HD#  )  3.9 2.1 1.39
assign (resid 19 and name HA        )(resid 20 and name HN  )  3.9 2.1 0.39
assign (resid 19 and name HA        )(resid 22 and name HB1  ) 3.9 2.1 0.39 
assign (resid 19 and name HA        )(resid 22 and name HB2  )  5.0 3.2 0.5
assign (resid 19 and name HB#        )(resid 19 and name HD#  )  2.8 1 2.28
assign (resid 19 and name HB#        )(resid 19 and name HE#  )  5.0 3.2 2.5
assign (resid 19 and name HB#        )(resid 20 and name HN  )  2.8 1 1.28
!
! LYS 20
!
assign (resid 20 and name HN        )(resid 20 and name HA  )  2.8 1 0.28
assign (resid 20 and name HN        )(resid 20 and name HB1  )  2.8 1 0.28
assign (resid 20 and name HN        )(resid 20 and name HB2  )  2.8 1 0.28
assign (resid 20 and name HN        )(resid 20 and name HG#  )  5.0 3.2 1.5
assign (resid 20 and name HN        )(resid 20 and name HD#  )  5.0 3.2 1.5
assign (resid 20 and name HN        )(resid 21 and name HN  )  2.8 1 0.28
assign (resid 20 and name HA        )(resid 20 and name HB1  )  3.9 2.1 0.39
assign (resid 20 and name HA        )(resid 20 and name HB2  )  3.9 2.1 0.39
assign (resid 20 and name HA        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 20 and name HA        )(resid 23 and name HB#  )  3.9 2.1 1.39
assign (resid 20 and name HA        )(resid 23 and name HD1#  )  5.0 3.2 1.5
assign (resid 20 and name HA        )(resid 23 and name HD2#  )  5.0 3.2 1.5
assign (resid 20 and name HB1        )(resid 21 and name HN  )  3.9 2.1 0.39
assign (resid 20 and name HD#        )(resid 21 and name HN  )  5.0 3.2 1.5
!
! THR 21
!
assign (resid 21 and name HN        )(resid 21 and name HA  )  3.9 2.1 0.39
assign (resid 21 and name HN        )(resid 21 and name HB  )  3.9 2.1 0.39
assign (resid 21 and name HN        )(resid 21 and name HG2#  )  5.0 3.2 1.5
assign (resid 21 and name HA        )(resid 21 and name HB  )  3.9 2.1 0.39
assign (resid 21 and name HA        )(resid 21 and name HG2#  )  2.8 1 1.28
assign (resid 21 and name HB        )(resid 21 and name HG2#  )  2.8 1 1.28
assign (resid 21 and name HA        )(resid 22 and name HN  )  5.0 3.2 0.5
assign (resid 21 and name HA        )(resid 24 and name HN  )  2.8 1 0.28
assign (resid 21 and name HA        )(resid 24 and name HB1  ) 2.8 1 0.28
assign (resid 21 and name HA        )(resid 24 and name HB2  ) 3.9 2.1 0.39
!
! TRP 22
!
assign (resid 22 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 22 and name HB1  )  2.8 1 0.28
assign (resid 22 and name HN        )(resid 22 and name HB2  )  2.8 1 0.28
assign (resid 22 and name HN        )(resid 23 and name HN  )  2.8 1 0.28
assign (resid 22 and name HA        )(resid 22 and name HB1  )  2.8 1 0.28
assign (resid 22 and name HA        )(resid 22 and name HB2  )  2.8 1 0.28
assign (resid 22 and name HA        )(resid 22 and name HD1  )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 25 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 25 and name HB#  )  2.8 1 1.28
assign (resid 22 and name HB1        )(resid 22 and name HB2  )  2.8 1 0.28
assign (resid 22 and name HB1        )(resid 22 and name HD1  )  3.9 2.1 0.39
assign (resid 22 and name HB1        )(resid 22 and name HE3  )  2.8 1 0.28
assign (resid 22 and name HB1        )(resid 22 and name HZ3  )  5.0 3.2 0.5
assign (resid 22 and name HB2        )(resid 22 and name HD1  )  3.9 2.1 0.39
assign (resid 22 and name HE3        )(resid 23 and name HB#  )  3.9 2.1 1.39
assign (resid 22 and name HE3        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HE3        )(resid 23 and name HD2#  )  3.9 2.1 1.39
assign (resid 22 and name HH2        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HH2        )(resid 23 and name HD2#  )  3.9 2.1 1.39
assign (resid 22 and name HZ3        )(resid 23 and name HD1#  )  3.9 2.1 1.39
assign (resid 22 and name HZ3        )(resid 23 and name HD2#  )  3.9 2.1 1.39
!
! LEU 23
!
assign (resid 23 and name HN        )(resid 23 and name HA  )  2.8 1 0.28
assign (resid 23 and name HN        )(resid 23 and name HB#  )  2.8 1 1.28
assign (resid 23 and name HN        )(resid 23 and name HD1#  )  5.0 3.2 1.5
assign (resid 23 and name HN        )(resid 23 and name HD2#  )  5.0 3.2 1.5
assign (resid 23 and name HN        )(resid 23 and name HG  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 24 and name HN  )  2.8 1 0.28
assign (resid 23 and name HA        )(resid 23 and name HB#  )  3.9 2.1 1.39
assign (resid 23 and name HA        )(resid 23 and name HG  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 23 and name HD1#  )  5.0 3.2 1.5
assign (resid 23 and name HA        )(resid 23 and name HD2#  )  5.0 3.2 1.5
assign (resid 23 and name HA        )(resid 24 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 26 and name HB#  )  3.9 2.1 1.39
assign (resid 23 and name HA        )(resid 26 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HA        )(resid 27 and name HN  ) 3.9 2.1 0.39
!
! LYS 24
!
assign (resid 24 and name HN        )(resid 24 and name HA  )  2.8 1 0.28
assign (resid 24 and name HN        )(resid 24 and name HB#  )  3.9 2.1 1.39
assign (resid 24 and name HN        )(resid 24 and name HD#  )  3.9 2.1 1.39
assign (resid 24 and name HN        )(resid 25 and name HN  )  2.8 1 0.28
assign (resid 24 and name HA        )(resid 24 and name HB#  )  2.8 1 1.28
assign (resid 24 and name HA        )(resid 24 and name HG#  )  3.9 2.1 1.39
assign (resid 24 and name HA        )(resid 24 and name HD#  )  3.9 2.1 1.39
assign (resid 24 and name HA        )(resid 25 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HA        )(resid 26 and name HN  )  5.0 3.2 0.5
assign (resid 24 and name HA        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HA        )(resid 27 and name HB#  ) 5.0 3.2 0.5 
assign (resid 24 and name HA        )(resid 27 and name HD#  )  5.0 3.2 1.5
assign (resid 24 and name HA        )(resid 28 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HB#        )(resid 25 and name HN  )  2.8 1 1.28
assign (resid 24 and name HG#        )(resid 25 and name HN  )  3.9 2.1 1.39
!
! ALA 25
!
assign (resid 25 and name HN        )(resid 25 and name HA  )  2.8 1 0.28
assign (resid 25 and name HN        )(resid 25 and name HB#  )  2.8 1 1.28
assign (resid 25 and name HA        )(resid 25 and name HB#  )  2.8 1 1.28
!
! LYS 26
!
assign (resid 26 and name HN        )(resid 26 and name HA  )  2.8 1 0.28
assign (resid 26 and name HN        )(resid 26 and name HB1  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HB2  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HG#  )  3.9 2.1 1.39
assign (resid 26 and name HN        )(resid 26 and name HD#  )  3.9 2.1 1.39
assign (resid 26 and name HN        )(resid 27 and name HN  )  2.8 1 0.28 
assign (resid 26 and name HA        )(resid 26 and name HB1  )  3.9 2.1 0.39
assign (resid 26 and name HA        )(resid 26 and name HB2  )  3.9 2.1 0.39
assign (resid 26 and name HA        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 26 and name HB1        )(resid 27 and name HN  )  3.9 2.1 0.39
assign (resid 26 and name HB2        )(resid 27 and name HN  )  3.9 2.1 0.39
!
! LEU 27
!
assign (resid 27 and name HN        )(resid 27 and name HA  )  2.8 1 0.28
assign (resid 27 and name HN        )(resid 27 and name HB#  )  3.9 2.1 1.39
assign (resid 27 and name HN        )(resid 27 and name HG#  )  3.9 2.1 1.39
assign (resid 27 and name HN        )(resid 27 and name HD1#  )  3.9 2.1 1.39
assign (resid 27 and name HA        )(resid 27 and name HB#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 27 and name HG#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 27 and name HD1#  )  2.8 1 1.28
assign (resid 27 and name HA        )(resid 28 and name HN  )  3.9 2.1 0.39
assign (resid 27 and name HB#        )(resid 28 and name HN  )  3.9 2.1 1.39
assign (resid 27 and name HG#        )(resid 28 and name HN  )  5.0 3.2 1.5
!
! MET 28
!
assign (resid 28 and name HN        )(resid 28 and name HA  )  2.8 1 0.28
assign (resid 28 and name HN        )(resid 28 and name HB#  )  2.8 1 1.28
assign (resid 28 and name HN        )(resid 28 and name HG#  )  3.9 2.1 1.39
assign (resid 28 and name HN        )(resid 29 and name HD#  )  3.9 2.1 1.39
assign (resid 28 and name HA        )(resid 28 and name HB#  )  2.8 1 1.28
assign (resid 28 and name HA        )(resid 28 and name HG#  )  3.9 2.1 1.39
assign (resid 28 and name HA        )(resid 29 and name HD#  )  2.8 1 1.28
assign (resid 28 and name HA        )(resid 31 and name HB#  )  5.0 3.2 1.5
assign (resid 28 and name HB#        )(resid 28 and name HG#  )  2.8 1 2.28
!
! PRO 29
!
assign (resid 29 and name HA        )(resid 29 and name HB1  )  2.8 1 0.28
assign (resid 29 and name HA        )(resid 29 and name HB2  )  3.9 2.1 0.39
assign (resid 29 and name HA        )(resid 29 and name HG#  )  3.9 2.1 1.39
assign (resid 29 and name HA        )(resid 29 and name HD#  )  3.9 2.1 1.39
assign (resid 29 and name HA        )(resid 30 and name HN  )  2.8 1 0.28
assign (resid 29 and name HD#        )(resid 29 and name HB1  )  3.9 2.1 1.39
assign (resid 29 and name HD#        )(resid 29 and name HB2  )  3.9 2.1 1.39
assign (resid 29 and name HD#        )(resid 29 and name HG#  )  3.9 2.1 2.39
!
! GLN 30
!
assign (resid 30 and name HN        )(resid 30 and name HA  )  2.8 1 0.28
assign (resid 30 and name HN        )(resid 30 and name HB1  )  2.8 1 0.28
assign (resid 30 and name HN        )(resid 30 and name HB2  )  3.9 2.1 0.39
assign (resid 30 and name HN        )(resid 30 and name HG#  )  5.0 3.2 1.5
assign (resid 30 and name HA        )(resid 30 and name HB1  )  3.9 2.1 0.39
assign (resid 30 and name HA        )(resid 30 and name HB2  )  3.9 2.1 0.39
assign (resid 30 and name HA        )(resid 30 and name HG#  )  5.0 3.2 1.5
assign (resid 30 and name HA        )(resid 31 and name HN  )  2.8 1 0.28
!
! LEU 31
!
assign (resid 31 and name HN        )(resid 31 and name HA  )  2.8 1 0.28
assign (resid 31 and name HN        )(resid 31 and name HB#  )  2.8 1 1.28
assign (resid 31 and name HA        )(resid 31 and name HB#  )  3.9 2.1 1.39
!


  Entry H atom name         Submitted Coord H atom name
    1   1H    SER   1           HT1      SER   1 -21.979  -4.417  -5.877
    2   2H    SER   1           HT2      SER   1 -23.374  -5.161  -6.500
    3   3H    SER   1           HT3      SER   1 -23.438  -4.336  -5.015
    4    HA   SER   1           HA       SER   1 -22.854  -3.032  -7.630
    5   1HB   SER   1          HB2       SER   1 -25.382  -3.266  -5.965
    6   2HB   SER   1          HB1       SER   1 -25.213  -2.250  -7.394
    7    HG   SER   1           HG       SER   1 -26.010  -4.122  -8.167
    8    H    GLY   2           HN       GLY   2 -23.210  -0.619  -7.367
    9   1HA   GLY   2          HA2       GLY   2 -22.975   1.417  -6.198
   10   2HA   GLY   2          HA1       GLY   2 -23.184   0.527  -4.689
   11    H    SER   3           HN       SER   3 -21.401   1.512  -3.633
   12    HA   SER   3           HA       SER   3 -18.715   0.767  -4.749
   13   1HB   SER   3          HB2       SER   3 -19.832   3.281  -3.570
   14   2HB   SER   3          HB1       SER   3 -18.132   2.917  -3.282
   15    HG   SER   3           HG       SER   3 -19.155   3.989  -5.417
   16    H    TRP   4           HN       TRP   4 -20.324  -0.853  -2.906
   17    HA   TRP   4           HA       TRP   4 -19.474  -0.490  -0.168
   18   1HB   TRP   4          HB2       TRP   4 -21.357  -1.946  -1.353
   19   2HB   TRP   4          HB1       TRP   4 -20.093  -3.176  -1.366
   20    HD1  TRP   4           HD1      TRP   4 -22.462  -1.340   0.921
   21    HE1  TRP   4           HE1      TRP   4 -22.275  -2.302   3.306
   22    HE3  TRP   4           HE3      TRP   4 -18.354  -4.321   0.353
   23    HZ2  TRP   4           HZ2      TRP   4 -20.605  -4.098   4.777
   24    HZ3  TRP   4           HZ3      TRP   4 -17.488  -5.645   2.260
   25    HH2  TRP   4           HH2      TRP   4 -18.607  -5.537   4.469
   26    H    LEU   5           HN       LEU   5 -18.236  -2.492  -2.862
   27    HA   LEU   5           HA       LEU   5 -16.003  -3.549  -1.299
   28   1HB   LEU   5          HB2       LEU   5 -15.430  -4.637  -3.383
   29   2HB   LEU   5          HB1       LEU   5 -17.185  -4.671  -3.239
   30    HG   LEU   5           HG       LEU   5 -16.788  -2.283  -4.543
   31   1HD1  LEU   5          HD11      LEU   5 -15.019  -4.091  -6.107
   32   2HD1  LEU   5          HD12      LEU   5 -14.302  -3.341  -4.680
   33   3HD1  LEU   5          HD13      LEU   5 -14.984  -2.334  -5.957
   34   1HD2  LEU   5          HD21      LEU   5 -17.146  -3.956  -6.640
   35   2HD2  LEU   5          HD22      LEU   5 -18.434  -3.569  -5.498
   36   3HD2  LEU   5          HD23      LEU   5 -17.515  -5.063  -5.317
   37    H    ARG   6           HN       ARG   6 -16.582  -0.683  -3.217
   38    HA   ARG   6           HA       ARG   6 -13.742  -0.080  -3.680
   39   1HB   ARG   6          HB2       ARG   6 -16.412   1.252  -4.129
   40   2HB   ARG   6          HB1       ARG   6 -14.920   2.168  -4.343
   41   1HG   ARG   6          HG2       ARG   6 -14.141   0.240  -5.852
   42   2HG   ARG   6          HG1       ARG   6 -15.821  -0.300  -5.836
   43   1HD   ARG   6          HD2       ARG   6 -15.123   2.558  -6.544
   44   2HD   ARG   6          HD1       ARG   6 -15.115   1.276  -7.771
   45    HE   ARG   6           HE       ARG   6 -17.510   2.022  -6.132
   46   1HH1  ARG   6          HH21      ARG   6 -16.952  -0.751  -7.597
   47   2HH1  ARG   6          HH22      ARG   6 -18.002  -0.548  -8.960
   48   1HH2  ARG   6          HH11      ARG   6 -18.466   2.855  -8.428
   49   2HH2  ARG   6          HH12      ARG   6 -18.862   1.500  -9.430
   50    H    ASP   7           HN       ASP   7 -16.354   1.075  -1.534
   51    HA   ASP   7           HA       ASP   7 -14.958   3.162  -0.200
   52   1HB   ASP   7          HB2       ASP   7 -17.415   2.577  -0.150
   53   2HB   ASP   7          HB1       ASP   7 -17.019   1.239   0.928
   54    H    ILE   8           HN       ILE   8 -15.358  -0.269   0.799
   55    HA   ILE   8           HA       ILE   8 -13.676  -0.130   3.108
   56    HB   ILE   8           HB       ILE   8 -15.368  -1.903   2.434
   57   1HG1  ILE   8          HG12      ILE   8 -12.773  -3.286   3.003
   58   2HG1  ILE   8          HG11      ILE   8 -13.348  -2.078   4.153
   59   1HG2  ILE   8          HG21      ILE   8 -14.709  -3.666   0.940
   60   2HG2  ILE   8          HG22      ILE   8 -13.072  -3.023   0.807
   61   3HG2  ILE   8          HG23      ILE   8 -14.425  -2.147   0.092
   62   1HD1  ILE   8          HD11      ILE   8 -14.282  -4.122   4.916
   63   2HD1  ILE   8          HD12      ILE   8 -14.718  -4.625   3.283
   64   3HD1  ILE   8          HD13      ILE   8 -15.602  -3.316   4.068
   65    H    TRP   9           HN       TRP   9 -12.938  -0.627  -0.323
   66    HA   TRP   9           HA       TRP   9 -10.180  -1.455   0.065
   67   1HB   TRP   9          HB2       TRP   9 -11.563  -1.913  -1.955
   68   2HB   TRP   9          HB1       TRP   9 -11.603  -0.185  -2.303
   69    HD1  TRP   9           HD1      TRP   9  -9.295  -3.211  -2.352
   70    HE1  TRP   9           HE1      TRP   9  -7.158  -2.614  -3.664
   71    HE3  TRP   9           HE3      TRP   9 -10.028   1.801  -3.000
   72    HZ2  TRP   9           HZ2      TRP   9  -5.923  -0.316  -4.836
   73    HZ3  TRP   9           HZ3      TRP   9  -8.358   3.168  -4.218
   74    HH2  TRP   9           HH2      TRP   9  -6.308   2.117  -5.136
   75    H    ASP  10           HN       ASP  10 -11.832   1.659  -0.466
   76    HA   ASP  10           HA       ASP  10  -9.616   3.351  -0.946
   77   1HB   ASP  10          HB2       ASP  10 -12.205   3.738  -0.851
   78   2HB   ASP  10          HB1       ASP  10 -11.923   4.100   0.852
   79    H    TRP  11           HN       TRP  11 -11.013   2.295   2.174
   80    HA   TRP  11           HA       TRP  11  -9.154   3.719   3.859
   81   1HB   TRP  11          HB2       TRP  11 -11.266   2.966   4.724
   82   2HB   TRP  11          HB1       TRP  11 -10.972   1.312   4.189
   83    HD1  TRP  11           HD1      TRP  11  -9.977   3.822   6.888
   84    HE1  TRP  11           HE1      TRP  11  -8.830   2.554   8.819
   85    HE3  TRP  11           HE3      TRP  11  -9.622  -0.828   4.805
   86    HZ2  TRP  11           HZ2      TRP  11  -7.884  -0.082   9.401
   87    HZ3  TRP  11           HZ3      TRP  11  -8.594  -2.696   6.067
   88    HH2  TRP  11           HH2      TRP  11  -7.726  -2.329   8.360
   89    H    ILE  12           HN       ILE  12  -9.242   0.340   2.653
   90    HA   ILE  12           HA       ILE  12  -6.814  -0.498   3.957
   91    HB   ILE  12           HB       ILE  12  -8.890  -1.659   2.574
   92   1HG1  ILE  12          HG12      ILE  12  -6.315  -3.175   2.827
   93   2HG1  ILE  12          HG11      ILE  12  -7.060  -2.516   4.284
   94   1HG2  ILE  12          HG21      ILE  12  -7.937  -2.822   0.633
   95   2HG2  ILE  12          HG22      ILE  12  -6.415  -1.958   0.844
   96   3HG2  ILE  12          HG23      ILE  12  -7.873  -1.078   0.389
   97   1HD1  ILE  12          HD11      ILE  12  -8.497  -4.274   2.274
   98   2HD1  ILE  12          HD12      ILE  12  -9.136  -3.700   3.814
   99   3HD1  ILE  12          HD13      ILE  12  -7.801  -4.852   3.787
  100    H    CYS  13           HN       CYS  13  -7.457   1.166   0.906
  101    HA   CYS  13           HA       CYS  13  -4.885   0.758  -0.333
  102   1HB   CYS  13          HB2       CYS  13  -6.987   1.538  -1.442
  103   2HB   CYS  13          HB1       CYS  13  -6.855   3.061  -0.563
  104    HG   CYS  13           HG       CYS  13  -4.761   2.127  -2.696
  105    H    GLU  14           HN       GLU  14  -6.168   3.302   1.826
  106    HA   GLU  14           HA       GLU  14  -3.841   4.994   1.796
  107   1HB   GLU  14          HB2       GLU  14  -6.261   4.555   3.511
  108   2HB   GLU  14          HB1       GLU  14  -4.963   5.566   4.145
  109   1HG   GLU  14          HG2       GLU  14  -5.222   7.181   2.492
  110   2HG   GLU  14          HG1       GLU  14  -5.928   6.041   1.346
  111    H    VAL  15           HN       VAL  15  -4.833   2.294   3.923
  112    HA   VAL  15           HA       VAL  15  -2.646   2.489   5.780
  113    HB   VAL  15           HB       VAL  15  -4.405   0.186   4.863
  114   1HG1  VAL  15          HG11      VAL  15  -3.717  -0.671   7.236
  115   2HG1  VAL  15          HG12      VAL  15  -2.327   0.396   7.034
  116   3HG1  VAL  15          HG13      VAL  15  -2.605  -0.918   5.891
  117   1HG2  VAL  15          HG21      VAL  15  -5.569   2.117   5.919
  118   2HG2  VAL  15          HG22      VAL  15  -4.514   1.965   7.324
  119   3HG2  VAL  15          HG23      VAL  15  -5.647   0.673   6.928
  120    H    LEU  16           HN       LEU  16  -2.996   0.894   2.629
  121    HA   LEU  16           HA       LEU  16  -0.515  -0.618   2.778
  122   1HB   LEU  16          HB2       LEU  16  -2.677  -0.897   1.328
  123   2HB   LEU  16          HB1       LEU  16  -1.903   0.267   0.253
  124    HG   LEU  16           HG       LEU  16   0.181  -1.342   0.522
  125   1HD1  LEU  16          HD11      LEU  16  -2.098  -3.301   0.866
  126   2HD1  LEU  16          HD12      LEU  16  -1.134  -2.727   2.227
  127   3HD1  LEU  16          HD13      LEU  16  -0.366  -3.631   0.921
  128   1HD2  LEU  16          HD21      LEU  16  -0.920  -0.892  -1.608
  129   2HD2  LEU  16          HD22      LEU  16  -2.261  -1.952  -1.175
  130   3HD2  LEU  16          HD23      LEU  16  -0.657  -2.629  -1.458
  131    H    SER  17           HN       SER  17  -1.362   2.666   1.820
  132    HA   SER  17           HA       SER  17   0.830   3.337   0.144
  133   1HB   SER  17          HB2       SER  17  -1.270   4.656   0.711
  134   2HB   SER  17          HB1       SER  17  -0.494   5.099   2.229
  135    HG   SER  17           HG       SER  17   1.036   6.212   1.126
  136    H    ASP  18           HN       ASP  18   0.553   3.793   3.707
  137    HA   ASP  18           HA       ASP  18   3.208   4.740   4.145
  138   1HB   ASP  18          HB2       ASP  18   0.928   3.698   5.673
  139   2HB   ASP  18          HB1       ASP  18   2.478   3.326   6.428
  140    H    PHE  19           HN       PHE  19   1.899   1.421   4.063
  141    HA   PHE  19           HA       PHE  19   4.230   0.016   4.918
  142   1HB   PHE  19          HB2       PHE  19   1.749  -0.519   3.350
  143   2HB   PHE  19          HB1       PHE  19   3.047  -1.702   3.195
  144    HD1  PHE  19           HD1      PHE  19   3.389  -3.320   4.866
  145    HD2  PHE  19           HD2      PHE  19   1.049   0.172   5.749
  146    HE1  PHE  19           HE1      PHE  19   2.777  -4.286   7.067
  147    HE2  PHE  19           HE2      PHE  19   0.437  -0.793   7.949
  148    HZ   PHE  19           HZ       PHE  19   1.301  -3.022   8.608
  149    H    LYS  20           HN       LYS  20   3.212   1.100   1.660
  150    HA   LYS  20           HA       LYS  20   5.430  -0.074   0.238
  151   1HB   LYS  20          HB2       LYS  20   3.310   0.631  -0.804
  152   2HB   LYS  20          HB1       LYS  20   3.643   2.308  -0.372
  153   1HG   LYS  20          HG2       LYS  20   4.480   2.358  -2.510
  154   2HG   LYS  20          HG1       LYS  20   5.924   1.760  -1.697
  155   1HD   LYS  20          HD2       LYS  20   3.831  -0.145  -2.746
  156   2HD   LYS  20          HD1       LYS  20   5.094   0.482  -3.802
  157   1HE   LYS  20          HE2       LYS  20   5.561  -1.044  -1.208
  158   2HE   LYS  20          HE1       LYS  20   5.800  -1.679  -2.845
  159   1HZ   LYS  20          HZ1       LYS  20   7.337   0.379  -1.412
  160   2HZ   LYS  20          HZ2       LYS  20   7.222   0.482  -3.105
  161   3HZ   LYS  20          HZ3       LYS  20   7.896  -0.897  -2.379
  162    H    THR  21           HN       THR  21   4.936   3.109   1.782
  163    HA   THR  21           HA       THR  21   7.296   4.410   0.818
  164    HB   THR  21           HB       THR  21   5.787   4.668   3.446
  165    HG1  THR  21           HG1      THR  21   4.389   5.766   2.329
  166   1HG2  THR  21          HG21      THR  21   8.023   5.753   3.478
  167   2HG2  THR  21          HG22      THR  21   6.715   6.934   3.532
  168   3HG2  THR  21          HG23      THR  21   7.587   6.654   2.025
  169    H    TRP  22           HN       TRP  22   6.747   2.184   3.525
  170    HA   TRP  22           HA       TRP  22   9.355   2.473   4.747
  171   1HB   TRP  22          HB2       TRP  22   7.466   1.609   5.983
  172   2HB   TRP  22          HB1       TRP  22   7.182   0.353   4.780
  173    HD1  TRP  22           HD1      TRP  22   9.571   1.323   7.603
  174    HE1  TRP  22           HE1      TRP  22  10.917  -0.761   8.300
  175    HE3  TRP  22           HE3      TRP  22   8.059  -1.954   3.990
  176    HZ2  TRP  22           HZ2      TRP  22  11.301  -3.463   7.441
  177    HZ3  TRP  22           HZ3      TRP  22   8.931  -4.273   3.952
  178    HH2  TRP  22           HH2      TRP  22  10.548  -5.031   5.671
  179    H    LEU  23           HN       LEU  23   7.986   0.244   2.317
  180    HA   LEU  23           HA       LEU  23  10.441  -1.334   2.079
  181   1HB   LEU  23          HB2       LEU  23   7.748  -1.621   1.471
  182   2HB   LEU  23          HB1       LEU  23   8.491  -1.432  -0.117
  183    HG   LEU  23           HG       LEU  23   9.651  -3.321   1.930
  184   1HD1  LEU  23          HD11      LEU  23   7.263  -3.914   1.582
  185   2HD1  LEU  23          HD12      LEU  23   8.347  -5.127   0.901
  186   3HD1  LEU  23          HD13      LEU  23   7.545  -3.968  -0.158
  187   1HD2  LEU  23          HD21      LEU  23   9.684  -3.311  -1.107
  188   2HD2  LEU  23          HD22      LEU  23  10.615  -4.371  -0.048
  189   3HD2  LEU  23          HD23      LEU  23  10.967  -2.644  -0.098
  190    H    LYS  24           HN       LYS  24   8.876   1.282   0.213
  191    HA   LYS  24           HA       LYS  24  10.735   1.249  -1.998
  192   1HB   LYS  24          HB2       LYS  24   8.386   2.280  -1.792
  193   2HB   LYS  24          HB1       LYS  24   9.169   3.620  -0.954
  194   1HG   LYS  24          HG2       LYS  24  10.697   3.081  -3.299
  195   2HG   LYS  24          HG1       LYS  24   9.001   3.142  -3.779
  196   1HD   LYS  24          HD2       LYS  24   9.390   5.393  -3.848
  197   2HD   LYS  24          HD1       LYS  24   9.084   5.279  -2.115
  198   1HE   LYS  24          HE2       LYS  24  11.435   5.215  -1.608
  199   2HE   LYS  24          HE1       LYS  24  11.858   4.986  -3.316
  200   1HZ   LYS  24          HZ1       LYS  24  12.074   7.316  -2.658
  201   2HZ   LYS  24          HZ2       LYS  24  10.440   7.350  -2.193
  202   3HZ   LYS  24          HZ3       LYS  24  10.858   7.125  -3.825
  203    H    ALA  25           HN       ALA  25  10.689   2.928   1.137
  204    HA   ALA  25           HA       ALA  25  12.793   4.802   0.683
  205   1HB   ALA  25          HB1       ALA  25  12.976   4.636   3.214
  206   2HB   ALA  25          HB2       ALA  25  11.817   3.308   3.137
  207   3HB   ALA  25          HB3       ALA  25  11.344   4.924   2.612
  208    H    LYS  26           HN       LYS  26  12.886   1.396   1.758
  209    HA   LYS  26           HA       LYS  26  15.839   1.442   1.935
  210   1HB   LYS  26          HB2       LYS  26  14.122   0.288   3.500
  211   2HB   LYS  26          HB1       LYS  26  13.982  -0.929   2.234
  212   1HG   LYS  26          HG2       LYS  26  15.924  -1.888   2.864
  213   2HG   LYS  26          HG1       LYS  26  16.770  -0.345   2.753
  214   1HD   LYS  26          HD2       LYS  26  14.993  -0.980   5.106
  215   2HD   LYS  26          HD1       LYS  26  16.679  -1.496   5.071
  216   1HE   LYS  26          HE2       LYS  26  16.274   1.333   4.309
  217   2HE   LYS  26          HE1       LYS  26  15.857   0.956   5.992
  218   1HZ   LYS  26          HZ1       LYS  26  18.237   1.442   5.722
  219   2HZ   LYS  26          HZ2       LYS  26  18.380   0.143   4.636
  220   3HZ   LYS  26          HZ3       LYS  26  17.975  -0.144   6.263
  221    H    LEU  27           HN       LEU  27  14.883  -1.607   0.840
  222    HA   LEU  27           HA       LEU  27  15.192  -2.757  -1.187
  223   1HB   LEU  27          HB2       LEU  27  13.509  -0.653  -1.614
  224   2HB   LEU  27          HB1       LEU  27  14.782  -0.286  -2.778
  225    HG   LEU  27           HG       LEU  27  14.448  -2.980  -3.172
  226   1HD1  LEU  27          HD11      LEU  27  12.498  -2.983  -1.628
  227   2HD1  LEU  27          HD12      LEU  27  12.037  -3.407  -3.276
  228   3HD1  LEU  27          HD13      LEU  27  11.705  -1.790  -2.656
  229   1HD2  LEU  27          HD21      LEU  27  14.539  -1.077  -4.839
  230   2HD2  LEU  27          HD22      LEU  27  12.818  -0.824  -4.548
  231   3HD2  LEU  27          HD23      LEU  27  13.381  -2.344  -5.245
  232    H    MET  28           HN       MET  28  16.362  -2.068  -3.585
  233    HA   MET  28           HA       MET  28  18.495  -1.866  -4.575
  234   1HB   MET  28          HB2       MET  28  18.472   0.481  -2.644
  235   2HB   MET  28          HB1       MET  28  19.570   0.315  -4.013
  236   1HG   MET  28          HG2       MET  28  16.552   0.295  -4.285
  237   2HG   MET  28          HG1       MET  28  17.537   1.745  -4.475
  238   1HE   MET  28          HE1       MET  28  15.651  -0.491  -6.804
  239   2HE   MET  28          HE2       MET  28  16.263   0.669  -7.981
  240   3HE   MET  28          HE3       MET  28  15.721   1.230  -6.402
  241    HA   PRO  29           HA       PRO  29  20.522  -3.840  -0.871
  242   1HB   PRO  29          HB2       PRO  29  21.082  -6.220  -2.108
  243   2HB   PRO  29          HB1       PRO  29  19.551  -5.897  -1.270
  244   1HG   PRO  29          HG2       PRO  29  20.165  -5.825  -4.183
  245   2HG   PRO  29          HG1       PRO  29  18.724  -6.424  -3.348
  246   1HD   PRO  29          HD2       PRO  29  18.826  -4.010  -4.596
  247   2HD   PRO  29          HD1       PRO  29  17.784  -4.339  -3.193
  248    H    GLN  30           HN       GLN  30  21.437  -3.786  -4.317
  249    HA   GLN  30           HA       GLN  30  24.239  -3.157  -3.492
  250   1HB   GLN  30          HB2       GLN  30  24.106  -5.557  -3.971
  251   2HB   GLN  30          HB1       GLN  30  23.321  -5.230  -5.516
  252   1HG   GLN  30          HG2       GLN  30  25.579  -3.689  -5.728
  253   2HG   GLN  30          HG1       GLN  30  26.176  -5.051  -4.781
  254   1HE2  GLN  30          HE21      GLN  30  26.934  -6.730  -6.072
  255   2HE2  GLN  30          HE22      GLN  30  26.351  -7.113  -7.619
  256    H    LEU  31           HN       LEU  31  22.483  -3.702  -6.580
  257    HA   LEU  31           HA       LEU  31  22.255  -2.334  -8.483
  258   1HB   LEU  31          HB2       LEU  31  21.253  -1.041  -6.380
  259   2HB   LEU  31          HB1       LEU  31  22.596   0.056  -6.701
  260    HG   LEU  31           HG       LEU  31  21.795   0.055  -9.145
  261   1HD1  LEU  31          HD11      LEU  31  20.299  -1.755  -9.274
  262   2HD1  LEU  31          HD12      LEU  31  19.223  -0.362  -9.175
  263   3HD1  LEU  31          HD13      LEU  31  19.525  -1.346  -7.743
  264   1HD2  LEU  31          HD21      LEU  31  20.265   1.269  -6.841
  265   2HD2  LEU  31          HD22      LEU  31  19.852   1.643  -8.515
  266   3HD2  LEU  31          HD23      LEU  31  21.454   2.038  -7.892