*HEADER    MEMBRANE PROTEIN                        21-OCT-03   1R7C              
*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 50% TFE)                     
*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 1R7C    0                                                

!
! NS5A Nter TFE 50%
!
! GLY 2
assign (resid 2 and name HN        )(resid 1 and name HA  )  5.0 3.2 0.5
!
! SER 3
!
assign (resid 3 and name HN        )(resid 3 and name HA  )  2.8 1   0.28
assign (resid 3 and name HN        )(resid 3 and name HB1 )  2.8 1   0.28
assign (resid 3 and name HN        )(resid 3 and name HB2 )  3.9 2.1 0.39
assign (resid 3 and name HA        )(resid 3 and name HB1 )  3.9 2.1 0.39
assign (resid 3 and name HA        )(resid 3 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 3 and name HN        )(resid 2 and name HN  )  5.0 3.2 0.5
!
! TRP 4
!
assign (resid 4 and name HN        )(resid 4 and name HA  )  2.8 1   0.28
assign (resid 4 and name HN        )(resid 4 and name HB1 )  2.8 1   0.28
assign (resid 4 and name HN        )(resid 4 and name HB2 )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 4 and name HB1 )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 4 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 4 and name HN        )(resid 3 and name HA  )  2.8 1   0.28
assign (resid 4 and name HA        )(resid 7 and name HB1 )  3.9 2.1 0.39
assign (resid 4 and name HA        )(resid 7 and name HB2 )  5.0 3.2 0.5
!
assign (resid 4 and name HA        )(resid 4 and name HE3 )  5.0 3.2 0.5
assign (resid 4 and name HB1       )(resid 4 and name HE3 )  2.8 1   0.28
assign (resid 4 and name HB2       )(resid 4 and name HE3 )  3.9 2.1 0.39
assign (resid 4 and name HN        )(resid 4 and name HD1 )  5.0 3.2 0.5
assign (resid 4 and name HB1       )(resid 4 and name HD1 )  3.9 2.1 0.39
assign (resid 4 and name HB2       )(resid 4 and name HD1 )  2.8 1   0.28
!
assign (resid 4 and name HE3       )(resid 8 and name HD1#)  2.8 1   1.28
assign (resid 4 and name HE3       )(resid 8 and name HG12)  5.0 3.2 0.5
!
! 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 HB1 )  3.9 2.1 0.39
assign (resid 5 and name HN        )(resid 5 and name HB2 )  5.0 3.2 0.5
assign (resid 5 and name HA        )(resid 5 and name HB1 )  2.8 1   0.28
assign (resid 5 and name HA        )(resid 5 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 5 and name HN        )(resid 4 and name HN  )  3.9 2.1 0.39
assign (resid 5 and name HN        )(resid 4 and name HA  )  5.0 3.2 0.5
assign (resid 5 and name HN        )(resid 4 and name HB1 )  5.0 3.2 0.5
assign (resid 5 and name HN        )(resid 4 and name HB2 )  3.9 2.1 0.39
assign (resid 5 and name HA        )(resid 8 and name HB  )  2.8 1   0.28
!
! ARG 6
!
assign (resid 6 and name HN        )(resid 6 and name HA  )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HB1 )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HB2 )  2.8 1   0.28
assign (resid 6 and name HN        )(resid 6 and name HG# )  3.9 2.1 1.39
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 )  2.8 1   0.28
!!
assign (resid 6 and name HN        )(resid 5 and name HA  )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 5 and name HB1 )  3.9 2.1 0.39
assign (resid 6 and name HN        )(resid 5 and name HB2 )  5.0 3.2 0.5
assign (resid 6 and name HN        )(resid 3 and name HA  )  5.0 3.2 0.5
assign (resid 6 and name HA        )(resid 9 and name HB# )  2.8 1 1.28
!
! 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 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 7 and name HB1 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 7 and name HB2 )  5.0 3.2 0.5
!!
assign (resid 7 and name HN        )(resid 6 and name HN  )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 6 and name HA  )  3.9 2.1 0.39
assign (resid 7 and name HN        )(resid 6 and name HB1 )  2.8 1 0.28
assign (resid 7 and name HN        )(resid 6 and name HB2 )  5.0 3.2 0.5
assign (resid 7 and name HN        )(resid 4 and name HA  )  5.0 3.2 0.5
assign (resid 7 and name HA        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 7 and name HA        )(resid 10 and name HB2 )  5.0 3.2 0.5
!
! ILE 8
!
assign (resid 8 and name HN        )(resid 8 and name HA  )  2.8 1   0.28
assign (resid 8 and name HN        )(resid 8 and name HB  )  2.8 1   0.28
!!
assign (resid 8 and name HN        )(resid 5 and name HA  )  3.9 2.1 0.39
assign (resid 8 and name HA        )(resid 11 and name HB1 )  2.8 1   0.28
assign (resid 8 and name HA        )(resid 11 and name HB2 )  3.9 2.1 0.39
assign (resid 8 and name HG2#      )(resid 12 and name HB  )  3.9 2.1 1.39
!
assign (resid 11 and name HE3       )(resid 8 and name HA  )  5.0 3.2 0.5
assign (resid 11 and name HE3       )(resid 8 and name HG2#)  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 HB# )  2.8 1   1.28
!!
assign (resid 9 and name HN        )(resid 8 and name HN  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 8 and name HA  )  5.0 3.2 0.5
assign (resid 9 and name HN        )(resid 8 and name HB  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 8 and name HG2#)  5.0 3.2 1.5
assign (resid 9 and name HN        )(resid 6 and name HA  )  3.9 2.1 0.39
assign (resid 9 and name HN        )(resid 5 and name HA  )  5.0 3.2 0.5
assign (resid 9 and name HA        )(resid 12 and name HB  )  2.8 1   0.28
!
assign (resid 9 and name HA        )(resid 9 and name HE3 )  2.8 1   0.28
assign (resid 9 and name HB#       )(resid 9 and name HE3 )  2.8 1   1.28
assign (resid 9 and name HB#       )(resid 9 and name HD1 )  2.8 1   1.28
!
assign (resid 9 and name HE3       )(resid 12 and name HG2#)  3.9 2.1 1.39
assign (resid 9 and name HE3       )(resid 12 and name HD1#)  2.8 1   1.28
!
! 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 )  2.8 1   0.28
assign (resid 10 and name HN        )(resid 10 and name HB2 )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 10 and name HA        )(resid 10 and name HB2 )  2.8 1   0.28
!!
assign (resid 10 and name HN        )(resid  9 and name HN  )  2.8 1   0.28
assign (resid 10 and name HN        )(resid  9 and name HA  )  3.9 2.1 0.39
assign (resid 10 and name HN        )(resid  9 and name HB# )  2.8 1   1.28
assign (resid 10 and name HA        )(resid 13 and name HB1 )  2.8 1   0.28
assign (resid 10 and name HA        )(resid 13 and name HB2 )  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 )  2.8 1   0.28
assign (resid 11 and name HN        )(resid 11 and name HB2 )  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 )  2.8 1   0.28
!!
assign (resid 11 and name HN        )(resid 10 and name HN  )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 10 and name HA  )  5.0 3.2 0.5
assign (resid 11 and name HN        )(resid 10 and name HB1 )  3.9 2.1 0.39
assign (resid 11 and name HN        )(resid 10 and name HB2 )  5.0 3.2 0.5
assign (resid 11 and name HN        )(resid  8 and name HA  )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 14 and name HB1 )  5.0 3.2 0.5
assign (resid 11 and name HA        )(resid 14 and name HB2 )  3.9 2.1 0.39
!
assign (resid 11 and name HA        )(resid 11 and name HE3 )  5.0 3.2 0.5
assign (resid 11 and name HB1       )(resid 11 and name HE3 )  3.9 2.1 0.39
assign (resid 11 and name HB2       )(resid 11 and name HE3 )  3.9 2.1 0.39
assign (resid 11 and name HA        )(resid 11 and name HD1 )  3.9 2.1 0.39
assign (resid 11 and name HB1       )(resid 11 and name HD1 )  3.9 2.1 0.39
assign (resid 11 and name HB2       )(resid 11 and name HD1 )  2.8 1   0.28
!
assign (resid 11 and name HE3       )(resid 12 and name HG12)  5.0 3.2 0.5
assign (resid 11 and name HE3       )(resid 12 and name HG2#)  5.0 3.2 1.5
assign (resid 11 and name HE3       )(resid 12 and name HD1#)  3.9 2.1 1.39
assign (resid 11 and name HE3       )(resid 15 and name HG2#)  5.0 3.2 1.5
assign (resid 11 and name HD1       )(resid 15 and name HG2#)  3.9 2.1 1.39
assign (resid 11 and name HZ2       )(resid 15 and name HG2#)  3.9 2.1 1.39
assign (resid 11 and name HE1       )(resid 15 and name HG2#)  3.9 2.1 1.39
!
! 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  )  2.8 1   0.28
assign (resid 12 and name HN        )(resid 12 and name HG2#)  3.9 2.1 1.39
assign (resid 12 and name HN        )(resid 12 and name HD1#)  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 12 and name HB  )  2.8 1   0.28
!!
assign (resid 12 and name HN        )(resid 11 and name HN  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid 11 and name HA  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid 11 and name HB1 )  5.0 3.2 0.5
assign (resid 12 and name HN        )(resid 11 and name HB2 )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid  9 and name HA  )  3.9 2.1 0.39
assign (resid 12 and name HN        )(resid  8 and name HA  )  5.0 3.2 1.5
assign (resid 12 and name HA        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 12 and name HA        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 12 and name HA        )(resid 15 and name HG2#)  2.8 1   1.28
!
! 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 )  3.9 2.1 0.39
assign (resid 13 and name HN        )(resid 13 and name HG  )  5.0 3.2 0.5
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 HN        )(resid 12 and name HN  )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 12 and name HA  )  3.9 2.1 0.39
assign (resid 13 and name HN        )(resid 12 and name HB  )  2.8 1   0.28
assign (resid 13 and name HN        )(resid 12 and name HG2#)  5.0 3.2 0.5
assign (resid 13 and name HN        )(resid 11 and name HN  )  5.0 3.2 0.5
assign (resid 13 and name HN        )(resid 10 and name HA  )  3.9 2.1 0.39
assign (resid 13 and name HA        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 13 and name HA        )(resid 16 and name HB2 )  3.9 2.1 0.39
!
! GLU 14
!
assign (resid 14 and name HN        )(resid 14 and name HA  )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 14 and name HB1 )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 14 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 14 and name HN        )(resid 13 and name HN  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HA  )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HB1 )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 13 and name HB2 )  3.9 2.1 0.39
assign (resid 14 and name HN        )(resid 11 and name HA  )  2.8 1   0.28
assign (resid 14 and name HN        )(resid 15 and name HG2#)  5.0 3.2 1.5
!
! VAL 15
!
assign (resid 15 and name HN        )(resid 15 and name HA  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 15 and name HN        )(resid 15 and name HG2#)  2.8 1   1.28
assign (resid 15 and name HA        )(resid 15 and name HB  )  2.8 1   0.28
!!
assign (resid 15 and name HN        )(resid 14 and name HN  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HA  )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HB1 )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 14 and name HB2 )  2.8 1   0.28
assign (resid 15 and name HN        )(resid 13 and name HN  )  5.0 3.2 0.5
assign (resid 15 and name HN        )(resid 12 and name HA  )  3.9 2.1 0.39
assign (resid 15 and name HN        )(resid 11 and name HA  )  5.0 3.2 0.5
assign (resid 15 and name HA        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 15 and name HA        )(resid 18 and name HB2 )  3.9 2.1 0.39
!
! LEU 16
!
assign (resid 16 and name HN        )(resid 16 and name HA  )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 16 and name HB2 )  3.9 2.1 0.39
assign (resid 16 and name HA        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 16 and name HA        )(resid 16 and name HB2 )  2.8 1   0.28
!!
assign (resid 16 and name HN        )(resid 15 and name HN  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 15 and name HB  )  2.8 1   0.28
assign (resid 16 and name HN        )(resid 15 and name HG1#)  3.9 2.1 1.39
assign (resid 16 and name HN        )(resid 15 and name HG2#)  5.0 3.2 1.5
assign (resid 16 and name HN        )(resid 14 and name HA  )  5.0 3.2 0.5
assign (resid 16 and name HN        )(resid 13 and name HA  )  3.9 2.1 0.39
assign (resid 16 and name HN        )(resid 12 and name HA  )  5.0 3.2 0.5
assign (resid 16 and name HA        )(resid 19 and name HB1 )  3.9 2.1 0.39
assign (resid 16 and name HA        )(resid 19 and name HB2 )  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 HB1 )  3.9 2.1 0.39
assign (resid 17 and name HN        )(resid 17 and name HB2 )  3.9 2.1 0.39
assign (resid 17 and name HA        )(resid 17 and name HB1 )  2.8 1   0.28
assign (resid 17 and name HA        )(resid 17 and name HB2 )  2.8 1   0.28
!!
assign (resid 17 and name HN        )(resid 16 and name HN  )  2.8 1   0.28
assign (resid 17 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 17 and name HN        )(resid 16 and name HB1 )  2.8 1   0.28
assign (resid 17 and name HN        )(resid 16 and name HB2 )  3.9 2.1 0.39
!
assign (resid 17 and name HN        )(resid 16 and name HD* )  3.9 2.1 2.39
assign (resid 17 and name HN        )(resid 15 and name HN  )  5.0 3.2 0.5
assign (resid 17 and name HN        )(resid 13 and name HA  )  5.0 3.2 0.5
assign (resid 17 and name HA        )(resid 20 and name HB1 )  3.9 2.1 0.39
assign (resid 17 and name HA        )(resid 20 and name HB2 )  5.0 3.2 0.5
!
! ASP 18
!
assign (resid 18 and name HN        )(resid 18 and name HA  )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 18 and name HB2 )  3.9 2.1 0.39
assign (resid 18 and name HA        )(resid 18 and name HB1 )  3.9 2.1 0.39
assign (resid 18 and name HA        )(resid 18 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 18 and name HN        )(resid 17 and name HN  )  2.8 1   0.28
assign (resid 18 and name HN        )(resid 17 and name HA  )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 17 and name HB1 )  3.9 2.1 0.39
assign (resid 18 and name HN        )(resid 17 and name HB2 )  5.0 3.2 0.5
assign (resid 18 and name HN        )(resid 16 and name HN  )  5.0 3.2 0.5
assign (resid 18 and name HN        )(resid 15 and name HA  )  3.9 2.1 0.39
!
assign (resid 18 and name HA        )(resid 21 and name HB  )  3.9 2.1 0.39
!
! PHE 19
!
assign (resid 19 and name HN        )(resid 19 and name HA  )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 19 and name HB1 )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 19 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 19 and name HN        )(resid 18 and name HN  )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 18 and name HA  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 18 and name HB1 )  2.8 1   0.28
assign (resid 19 and name HN        )(resid 18 and name HB2 )  5.0 3.2 0.5
assign (resid 19 and name HN        )(resid 17 and name HN  )  5.0 3.2 0.5
assign (resid 19 and name HN        )(resid 16 and name HA  )  3.9 2.1 0.39
assign (resid 19 and name HN        )(resid 15 and name HA  )  5.0 3.2 0.5
assign (resid 19 and name HA        )(resid 22 and name HB1 )  5.0 3.2 0.5
assign (resid 19 and name HA        )(resid 22 and name HB2 )  3.9 2.1 0.39
!
assign (resid 19 and name HA        )(resid 19 and name HD* )  2.8 1 2.28
!
assign (resid 19 and name HA        )(resid 22 and name HE3 )  5.0 3.2 0.5
assign (resid 19 and name HD*       )(resid 23 and name HD1#)  5.0 3.2 3.5
assign (resid 19 and name HD*       )(resid 23 and name HD2#)  5.0 3.2 3.5
assign (resid 19 and name HE*       )(resid 23 and name HD1#)  2.8 1   3.28
assign (resid 19 and name HE*       )(resid 23 and name HD2#)  3.9 2.1 3.39
!
! 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 )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 20 and name HB2 )  2.8 1   0.28
assign (resid 20 and name HA        )(resid 20 and name HB1 )  2.8 1   0.28
!!
assign (resid 20 and name HN        )(resid 19 and name HN  )  2.8 1   0.28
assign (resid 20 and name HN        )(resid 19 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 19 and name HB1 )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 19 and name HB2 )  2.8 1   0.28
assign (resid 20 and name HN        )(resid 18 and name HN  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 18 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HN        )(resid 17 and name HA  )  3.9 2.1 0.39
assign (resid 20 and name HN        )(resid 16 and name HA  )  5.0 3.2 0.5
assign (resid 20 and name HA        )(resid 23 and name HB# )  2.8 1   1.28
!
! THR 21
!
assign (resid 21 and name HN        )(resid 21 and name HA  )  2.8 1   0.28
assign (resid 21 and name HA        )(resid 21 and name HB  )  2.8 1   0.28
!!
assign (resid 21 and name HN        )(resid 20 and name HN  )  2.8 1   0.28
assign (resid 21 and name HN        )(resid 20 and name HB1 )  5.0 3.2 0.5
assign (resid 21 and name HN        )(resid 19 and name HN  )  5.0 3.2 0.5
assign (resid 21 and name HN        )(resid 18 and name HA  )  2.8 1   0.28
assign (resid 21 and name HN        )(resid 17 and name HA  )  5.0 3.2 0.5
assign (resid 21 and name HA        )(resid 24 and name HB# )  2.8 1   1.28
!
! TRP 22
!
assign (resid 22 and name HN        )(resid 22 and name HA  )  2.8 1   0.28
assign (resid 22 and name HN        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 22 and name HB2 )  2.8 1   0.28
assign (resid 22 and name HA        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 22 and name HB2 )  2.8 1   0.28
!
assign (resid 22 and name HN        )(resid 21 and name HN  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 21 and name HA  )  3.9 2.1 0.39
assign (resid 22 and name HN        )(resid 21 and name HG2#)  5.0 3.2 1.5
assign (resid 22 and name HA        )(resid 25 and name HB# )  2.8 1   1.28
!
assign (resid 22 and name HA        )(resid 22 and name HE3 )  5.0 3.2 0.5
assign (resid 22 and name HB1       )(resid 22 and name HE3 )  3.9 2.1 0.39
assign (resid 22 and name HB2       )(resid 22 and name HE3 )  3.9 2.1 0.39
assign (resid 22 and name HA        )(resid 22 and name HD1 )  3.9 2.1 0.39
assign (resid 22 and name HB1       )(resid 22 and name HD1 )  5.0 3.2 0.5
assign (resid 22 and name HB2       )(resid 22 and name HD1 )  2.8 1   0.28
!
assign (resid 23 and name HA        )(resid 22 and name HE3 )  2.8 1   0.28
assign (resid 23 and name HD1#      )(resid 22 and name HE3 )  5.0 3.2 1.5
assign (resid 23 and name HD1#      )(resid 22 and name HZ3 )  5.0 3.2 1.5
assign (resid 23 and name HD2#      )(resid 22 and name HZ3 )  5.0 3.2 1.5
!
! LEU 23
!
assign (resid 23 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 23 and name HB# )  2.8 1   1.28
!!
assign (resid 23 and name HN        )(resid 22 and name HN  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HB1 )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 22 and name HB2 )  2.8 1   0.28
assign (resid 23 and name HN        )(resid 20 and name HA  )  3.9 2.1 0.39
assign (resid 23 and name HN        )(resid 19 and name HA  )  5.0 3.2 0.5
assign (resid 23 and name HA        )(resid 26 and name HB# )  2.8 1   1.28
!
! 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# )  2.8 1   1.28
!!
assign (resid 24 and name HN        )(resid 23 and name HN  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 24 and name HN        )(resid 23 and name HB# )  2.8 1   1.28
assign (resid 24 and name HN        )(resid 22 and name HA  )  5.0 3.2 0.5
assign (resid 24 and name HN        )(resid 21 and name HA  )  2.8 1   0.28
!
! 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 HN        )(resid 24 and name HN  )  2.8 1   0.28
assign (resid 25 and name HN        )(resid 24 and name HA  )  3.9 2.1 0.39
assign (resid 25 and name HN        )(resid 24 and name HB# )  2.8 1   1.28
assign (resid 25 and name HN        )(resid 23 and name HN  )  5.0 3.2 0.5
assign (resid 25 and name HN        )(resid 23 and name HA  )  5.0 3.2 0.5
assign (resid 25 and name HN        )(resid 22 and name HA  )  3.9 2.1 0.39
!
assign (resid 25 and name HA        )(resid 28 and name HB# )  3.9 2.1 1.39
!
! 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 HB# )  2.8 1   1.28
assign (resid 26 and name HN        )(resid 26 and name HG1 )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 26 and name HG2 )  5.0 3.2 0.5
!!
assign (resid 26 and name HN        )(resid 25 and name HA  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 25 and name HB# )  2.8 1   1.28
assign (resid 26 and name HN        )(resid 24 and name HA  )  5.0 3.2 0.5
assign (resid 26 and name HN        )(resid 23 and name HA  )  3.9 2.1 0.39
assign (resid 26 and name HN        )(resid 22 and name HA  )  5.0 3.2 0.5
!
! 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 HB1 )  2.8 1   0.28
assign (resid 27 and name HN        )(resid 27 and name HB2 )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 27 and name HD* )  5.0 3.2 2.5
assign (resid 27 and name HA        )(resid 27 and name HB1 )  2.8 1   0.28
assign (resid 27 and name HA        )(resid 27 and name HB2 )  3.9 2.1 0.39
!!
assign (resid 27 and name HN        )(resid 26 and name HA  )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 26 and name HB# )  2.8 1.0 1.28
assign (resid 27 and name HN        )(resid 25 and name HA  )  5.0 3.2 0.5
assign (resid 27 and name HN        )(resid 24 and name HA  )  3.9 2.1 0.39
assign (resid 27 and name HN        )(resid 23 and name HA  )  5.0 3.2 0.5
!
! MET 28
!
assign (resid 28 and name HN        )(resid 28 and name HB# )  2.8 1   1.28
!!
assign (resid 28 and name HN        )(resid 27 and name HA  )  3.9 2.1 0.39
assign (resid 28 and name HN        )(resid 27 and name HB1 )  3.9 2.1 0.39
assign (resid 28 and name HN        )(resid 27 and name HB2 )  3.9 2.1 0.39
!oui uoi
assign (resid 28 and name HA        )(resid 29 and name HD1 )  5.0 3.2 0.5
assign (resid 28 and name HA        )(resid 29 and name HD2 )  5.0 3.2 0.5
assign (resid 28 and name HA        )(resid 29 and name HG# )  5.0 3.2 1.5
assign (resid 28 and name HB#       )(resid 29 and name HD1 )  3.9 2.1 1.39
assign (resid 28 and name HB#       )(resid 29 and name HD2 )  3.9 2.1 1.39
!
! 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  )  2.8 1 0.28
!
! 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 )  3.9 2.1 0.39
assign (resid 30 and name HN        )(resid 30 and name HB2 )  5.0 3.2 0.5
!!
assign (resid 30 and name HN        )(resid 29 and name HB1  )  2.8 1   0.28
assign (resid 30 and name HN        )(resid 29 and name HB2  )  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
!


  Entry H atom name         Submitted Coord H atom name
    1   1H    SER   1           HT1      SER   1 -25.801   8.281  -7.132
    2   2H    SER   1           HT2      SER   1 -26.211   6.631  -7.135
    3   3H    SER   1           HT3      SER   1 -24.761   7.151  -7.852
    4    HA   SER   1           HA       SER   1 -23.979   7.909  -5.631
    5   1HB   SER   1          HB2       SER   1 -25.412   6.954  -3.739
    6   2HB   SER   1          HB1       SER   1 -26.125   8.295  -4.629
    7    HG   SER   1           HG       SER   1 -27.540   6.463  -4.309
    8    H    GLY   2           HN       GLY   2 -23.066   6.217  -4.035
    9   1HA   GLY   2          HA2       GLY   2 -23.299   3.409  -4.536
   10   2HA   GLY   2          HA1       GLY   2 -21.914   4.034  -5.432
   11    H    SER   3           HN       SER   3 -20.546   2.711  -4.014
   12    HA   SER   3           HA       SER   3 -20.268   3.803  -1.232
   13   1HB   SER   3          HB2       SER   3 -20.716   1.248  -2.075
   14   2HB   SER   3          HB1       SER   3 -18.956   1.260  -2.037
   15    HG   SER   3           HG       SER   3 -20.818   1.585   0.034
   16    H    TRP   4           HN       TRP   4 -19.054   5.569  -2.647
   17    HA   TRP   4           HA       TRP   4 -16.495   4.973  -3.816
   18   1HB   TRP   4          HB2       TRP   4 -18.200   7.210  -3.319
   19   2HB   TRP   4          HB1       TRP   4 -16.598   7.623  -2.710
   20    HD1  TRP   4           HD1      TRP   4 -18.489   6.843  -5.904
   21    HE1  TRP   4           HE1      TRP   4 -16.971   7.344  -7.927
   22    HE3  TRP   4           HE3      TRP   4 -14.070   7.711  -3.500
   23    HZ2  TRP   4           HZ2      TRP   4 -14.244   8.026  -8.456
   24    HZ3  TRP   4           HZ3      TRP   4 -12.030   8.283  -4.784
   25    HH2  TRP   4           HH2      TRP   4 -12.110   8.441  -7.257
   26    H    LEU   5           HN       LEU   5 -17.460   5.883  -0.504
   27    HA   LEU   5           HA       LEU   5 -14.866   6.295   0.615
   28   1HB   LEU   5          HB2       LEU   5 -17.138   6.791   1.614
   29   2HB   LEU   5          HB1       LEU   5 -17.319   5.063   1.918
   30    HG   LEU   5           HG       LEU   5 -14.754   6.094   2.877
   31   1HD1  LEU   5          HD11      LEU   5 -15.614   7.430   4.712
   32   2HD1  LEU   5          HD12      LEU   5 -17.276   7.137   4.201
   33   3HD1  LEU   5          HD13      LEU   5 -16.205   8.120   3.201
   34   1HD2  LEU   5          HD21      LEU   5 -15.444   4.864   4.890
   35   2HD2  LEU   5          HD22      LEU   5 -15.756   3.891   3.452
   36   3HD2  LEU   5          HD23      LEU   5 -17.086   4.723   4.260
   37    H    ARG   6           HN       ARG   6 -16.844   3.331   0.331
   38    HA   ARG   6           HA       ARG   6 -14.934   1.558   1.582
   39   1HB   ARG   6          HB2       ARG   6 -17.380   1.153   1.309
   40   2HB   ARG   6          HB1       ARG   6 -17.149   1.039  -0.436
   41   1HG   ARG   6          HG2       ARG   6 -16.170  -1.031  -0.313
   42   2HG   ARG   6          HG1       ARG   6 -15.407  -0.692   1.241
   43   1HD   ARG   6          HD2       ARG   6 -17.735  -0.812   2.282
   44   2HD   ARG   6          HD1       ARG   6 -18.293  -1.471   0.730
   45    HE   ARG   6           HE       ARG   6 -15.937  -2.740   2.037
   46   1HH1  ARG   6          HH21      ARG   6 -18.629  -3.393   3.317
   47   2HH1  ARG   6          HH22      ARG   6 -19.060  -4.843   2.474
   48   1HH2  ARG   6          HH11      ARG   6 -16.736  -4.365  -0.067
   49   2HH2  ARG   6          HH12      ARG   6 -17.986  -5.393   0.548
   50    H    ASP   7           HN       ASP   7 -15.514   2.616  -1.761
   51    HA   ASP   7           HA       ASP   7 -13.883   0.777  -3.176
   52   1HB   ASP   7          HB2       ASP   7 -15.468   2.499  -4.088
   53   2HB   ASP   7          HB1       ASP   7 -14.288   3.745  -3.679
   54    H    ILE   8           HN       ILE   8 -13.006   3.811  -1.506
   55    HA   ILE   8           HA       ILE   8 -10.201   3.710  -2.297
   56    HB   ILE   8           HB       ILE   8 -11.631   5.184  -0.054
   57   1HG1  ILE   8          HG12      ILE   8 -10.823   6.501  -2.612
   58   2HG1  ILE   8          HG11      ILE   8 -12.242   5.455  -2.658
   59   1HG2  ILE   8          HG21      ILE   8  -8.854   5.223  -1.131
   60   2HG2  ILE   8          HG22      ILE   8  -9.434   5.565   0.499
   61   3HG2  ILE   8          HG23      ILE   8  -9.581   6.788  -0.764
   62   1HD1  ILE   8          HD11      ILE   8 -12.834   7.815  -2.139
   63   2HD1  ILE   8          HD12      ILE   8 -11.833   7.725  -0.690
   64   3HD1  ILE   8          HD13      ILE   8 -13.272   6.715  -0.833
   65    H    TRP   9           HN       TRP   9 -12.093   2.635   0.518
   66    HA   TRP   9           HA       TRP   9 -10.014   2.035   2.340
   67   1HB   TRP   9          HB2       TRP   9 -12.625   1.938   2.482
   68   2HB   TRP   9          HB1       TRP   9 -12.427   0.271   1.943
   69    HD1  TRP   9           HD1      TRP   9 -12.528  -1.259   3.961
   70    HE1  TRP   9           HE1      TRP   9 -11.549  -1.246   6.345
   71    HE3  TRP   9           HE3      TRP   9 -10.224   3.300   3.948
   72    HZ2  TRP   9           HZ2      TRP   9  -9.996   0.469   8.025
   73    HZ3  TRP   9           HZ3      TRP   9  -9.004   4.097   5.951
   74    HH2  TRP   9           HH2      TRP   9  -8.887   2.689   7.988
   75    H    ASP  10           HN       ASP  10 -11.506  -0.184  -0.073
   76    HA   ASP  10           HA       ASP  10  -9.738  -2.391   0.385
   77   1HB   ASP  10          HB2       ASP  10 -11.979  -2.180  -0.922
   78   2HB   ASP  10          HB1       ASP  10 -10.973  -1.671  -2.279
   79    H    TRP  11           HN       TRP  11  -9.542   0.387  -1.844
   80    HA   TRP  11           HA       TRP  11  -7.217  -0.378  -3.308
   81   1HB   TRP  11          HB2       TRP  11  -8.779   1.481  -3.846
   82   2HB   TRP  11          HB1       TRP  11  -8.197   2.365  -2.436
   83    HD1  TRP  11           HD1      TRP  11  -7.110   1.196  -5.908
   84    HE1  TRP  11           HE1      TRP  11  -5.021   2.533  -6.613
   85    HE3  TRP  11           HE3      TRP  11  -6.154   3.695  -1.560
   86    HZ2  TRP  11           HZ2      TRP  11  -3.186   4.415  -5.480
   87    HZ3  TRP  11           HZ3      TRP  11  -4.233   5.251  -1.399
   88    HH2  TRP  11           HH2      TRP  11  -2.749   5.614  -3.351
   89    H    ILE  12           HN       ILE  12  -7.559   1.420  -0.230
   90    HA   ILE  12           HA       ILE  12  -4.769   1.976   0.176
   91    HB   ILE  12           HB       ILE  12  -7.124   1.613   2.062
   92   1HG1  ILE  12          HG12      ILE  12  -5.793   4.214   1.351
   93   2HG1  ILE  12          HG11      ILE  12  -6.948   3.499   0.227
   94   1HG2  ILE  12          HG21      ILE  12  -5.590   3.099   3.558
   95   2HG2  ILE  12          HG22      ILE  12  -4.279   2.479   2.556
   96   3HG2  ILE  12          HG23      ILE  12  -5.273   1.366   3.495
   97   1HD1  ILE  12          HD11      ILE  12  -8.699   3.535   1.864
   98   2HD1  ILE  12          HD12      ILE  12  -7.940   5.127   1.913
   99   3HD1  ILE  12          HD13      ILE  12  -7.568   3.934   3.157
  100    H    CYS  13           HN       CYS  13  -6.800  -0.843   0.941
  101    HA   CYS  13           HA       CYS  13  -5.038  -2.258   2.671
  102   1HB   CYS  13          HB2       CYS  13  -7.497  -2.672   1.805
  103   2HB   CYS  13          HB1       CYS  13  -6.692  -3.614   0.550
  104    HG   CYS  13           HG       CYS  13  -5.808  -5.241   2.324
  105    H    GLU  14           HN       GLU  14  -5.215  -2.161  -0.895
  106    HA   GLU  14           HA       GLU  14  -3.083  -4.078  -1.346
  107   1HB   GLU  14          HB2       GLU  14  -4.379  -1.894  -3.010
  108   2HB   GLU  14          HB1       GLU  14  -3.206  -3.038  -3.663
  109   1HG   GLU  14          HG2       GLU  14  -4.640  -4.887  -3.319
  110   2HG   GLU  14          HG1       GLU  14  -5.666  -3.993  -2.197
  111    H    VAL  15           HN       VAL  15  -3.244  -0.502  -1.263
  112    HA   VAL  15           HA       VAL  15  -0.483  -0.019  -1.909
  113    HB   VAL  15           HB       VAL  15  -2.559   1.554  -0.341
  114   1HG1  VAL  15          HG11      VAL  15  -0.613   2.656   0.289
  115   2HG1  VAL  15          HG12      VAL  15  -0.960   3.476  -1.233
  116   3HG1  VAL  15          HG13      VAL  15   0.248   2.193  -1.179
  117   1HG2  VAL  15          HG21      VAL  15  -1.985   2.725  -2.843
  118   2HG2  VAL  15          HG22      VAL  15  -3.454   1.861  -2.392
  119   3HG2  VAL  15          HG23      VAL  15  -2.120   0.995  -3.154
  120    H    LEU  16           HN       LEU  16  -2.177  -0.652   1.155
  121    HA   LEU  16           HA       LEU  16  -0.061  -0.015   2.974
  122   1HB   LEU  16          HB2       LEU  16  -2.459  -0.442   3.531
  123   2HB   LEU  16          HB1       LEU  16  -2.226  -2.145   3.135
  124    HG   LEU  16           HG       LEU  16  -0.180  -1.245   4.985
  125   1HD1  LEU  16          HD11      LEU  16  -1.997   0.364   5.629
  126   2HD1  LEU  16          HD12      LEU  16  -1.581  -0.772   6.912
  127   3HD1  LEU  16          HD13      LEU  16  -3.044  -1.017   5.958
  128   1HD2  LEU  16          HD21      LEU  16  -0.901  -3.597   4.517
  129   2HD2  LEU  16          HD22      LEU  16  -2.443  -3.245   5.298
  130   3HD2  LEU  16          HD23      LEU  16  -0.949  -3.197   6.234
  131    H    SER  17           HN       SER  17  -0.983  -3.155   1.492
  132    HA   SER  17           HA       SER  17   1.249  -4.649   2.547
  133   1HB   SER  17          HB2       SER  17  -0.605  -4.983   0.168
  134   2HB   SER  17          HB1       SER  17   0.574  -6.204   0.636
  135    HG   SER  17           HG       SER  17  -1.793  -5.421   1.857
  136    H    ASP  18           HN       ASP  18   0.706  -2.853  -0.483
  137    HA   ASP  18           HA       ASP  18   3.136  -3.554  -1.826
  138   1HB   ASP  18          HB2       ASP  18   1.188  -2.480  -2.887
  139   2HB   ASP  18          HB1       ASP  18   1.423  -1.043  -1.893
  140    H    PHE  19           HN       PHE  19   2.319  -0.774   0.287
  141    HA   PHE  19           HA       PHE  19   4.780   0.608   0.238
  142   1HB   PHE  19          HB2       PHE  19   2.372   0.444   1.854
  143   2HB   PHE  19          HB1       PHE  19   3.780   0.709   2.881
  144    HD1  PHE  19           HD1      PHE  19   4.801   2.833   3.010
  145    HD2  PHE  19           HD2      PHE  19   2.066   1.976  -0.191
  146    HE1  PHE  19           HE1      PHE  19   4.863   5.214   2.320
  147    HE2  PHE  19           HE2      PHE  19   2.129   4.358  -0.881
  148    HZ   PHE  19           HZ       PHE  19   3.527   5.976   0.375
  149    H    LYS  20           HN       LYS  20   3.797  -2.147   2.298
  150    HA   LYS  20           HA       LYS  20   6.148  -2.304   3.915
  151   1HB   LYS  20          HB2       LYS  20   3.914  -3.474   4.187
  152   2HB   LYS  20          HB1       LYS  20   4.405  -4.572   2.897
  153   1HG   LYS  20          HG2       LYS  20   6.280  -5.369   4.186
  154   2HG   LYS  20          HG1       LYS  20   6.030  -4.128   5.415
  155   1HD   LYS  20          HD2       LYS  20   3.698  -5.149   5.748
  156   2HD   LYS  20          HD1       LYS  20   4.285  -6.517   4.801
  157   1HE   LYS  20          HE2       LYS  20   6.198  -6.753   6.418
  158   2HE   LYS  20          HE1       LYS  20   5.449  -5.489   7.414
  159   1HZ   LYS  20          HZ1       LYS  20   3.432  -6.791   7.534
  160   2HZ   LYS  20          HZ2       LYS  20   4.737  -7.728   8.085
  161   3HZ   LYS  20          HZ3       LYS  20   4.097  -7.990   6.533
  162    H    THR  21           HN       THR  21   5.336  -3.902   0.811
  163    HA   THR  21           HA       THR  21   7.892  -5.260   0.550
  164    HB   THR  21           HB       THR  21   5.917  -4.497  -1.624
  165    HG1  THR  21           HG1      THR  21   4.530  -5.685  -0.618
  166   1HG2  THR  21          HG21      THR  21   8.070  -5.572  -2.291
  167   2HG2  THR  21          HG22      THR  21   6.664  -6.571  -2.658
  168   3HG2  THR  21          HG23      THR  21   7.669  -6.943  -1.257
  169    H    TRP  22           HN       TRP  22   6.537  -2.197  -0.662
  170    HA   TRP  22           HA       TRP  22   8.620  -1.442  -2.454
  171   1HB   TRP  22          HB2       TRP  22   6.278  -0.445  -1.971
  172   2HB   TRP  22          HB1       TRP  22   7.066   0.436  -0.662
  173    HD1  TRP  22           HD1      TRP  22   6.808   0.257  -4.437
  174    HE1  TRP  22           HE1      TRP  22   8.008   2.294  -5.466
  175    HE3  TRP  22           HE3      TRP  22   9.046   2.163  -0.261
  176    HZ2  TRP  22           HZ2      TRP  22   9.695   4.447  -4.627
  177    HZ3  TRP  22           HZ3      TRP  22  10.442   4.206  -0.404
  178    HH2  TRP  22           HH2      TRP  22  10.768   5.349  -2.580
  179    H    LEU  23           HN       LEU  23   8.249  -0.866   1.059
  180    HA   LEU  23           HA       LEU  23  10.631   0.708   1.412
  181   1HB   LEU  23          HB2       LEU  23   8.554  -0.586   2.988
  182   2HB   LEU  23          HB1       LEU  23  10.127  -0.765   3.764
  183    HG   LEU  23           HG       LEU  23  10.373   1.796   3.177
  184   1HD1  LEU  23          HD11      LEU  23   8.201   1.775   1.883
  185   2HD1  LEU  23          HD12      LEU  23   8.282   3.003   3.147
  186   3HD1  LEU  23          HD13      LEU  23   7.364   1.522   3.415
  187   1HD2  LEU  23          HD21      LEU  23   8.562   0.785   5.396
  188   2HD2  LEU  23          HD22      LEU  23   9.394   2.340   5.382
  189   3HD2  LEU  23          HD23      LEU  23  10.324   0.843   5.457
  190    H    LYS  24           HN       LYS  24  10.013  -2.802   1.702
  191    HA   LYS  24           HA       LYS  24  12.684  -3.547   2.491
  192   1HB   LYS  24          HB2       LYS  24  10.495  -4.851   2.659
  193   2HB   LYS  24          HB1       LYS  24  10.650  -5.170   0.931
  194   1HG   LYS  24          HG2       LYS  24  13.033  -6.026   1.528
  195   2HG   LYS  24          HG1       LYS  24  12.424  -6.104   3.182
  196   1HD   LYS  24          HD2       LYS  24  10.422  -7.257   1.544
  197   2HD   LYS  24          HD1       LYS  24  11.958  -7.936   1.004
  198   1HE   LYS  24          HE2       LYS  24  12.473  -8.779   3.180
  199   2HE   LYS  24          HE1       LYS  24  11.197  -7.806   3.937
  200   1HZ   LYS  24          HZ1       LYS  24  10.594 -10.192   3.482
  201   2HZ   LYS  24          HZ2       LYS  24  10.650  -9.822   1.825
  202   3HZ   LYS  24          HZ3       LYS  24   9.528  -9.043   2.835
  203    H    ALA  25           HN       ALA  25  11.046  -3.323  -0.678
  204    HA   ALA  25           HA       ALA  25  13.192  -4.347  -2.286
  205   1HB   ALA  25          HB1       ALA  25  11.066  -4.213  -3.285
  206   2HB   ALA  25          HB2       ALA  25  11.910  -2.852  -4.023
  207   3HB   ALA  25          HB3       ALA  25  10.788  -2.575  -2.691
  208    H    LYS  26           HN       LYS  26  12.380  -1.032  -1.215
  209    HA   LYS  26           HA       LYS  26  14.532   0.250  -2.690
  210   1HB   LYS  26          HB2       LYS  26  12.340   1.230  -1.780
  211   2HB   LYS  26          HB1       LYS  26  13.119   1.235  -0.197
  212   1HG   LYS  26          HG2       LYS  26  15.066   2.440  -1.586
  213   2HG   LYS  26          HG1       LYS  26  13.701   2.904  -2.603
  214   1HD   LYS  26          HD2       LYS  26  12.532   3.786  -0.595
  215   2HD   LYS  26          HD1       LYS  26  13.940   3.377   0.385
  216   1HE   LYS  26          HE2       LYS  26  14.419   5.608  -0.105
  217   2HE   LYS  26          HE1       LYS  26  15.203   4.821  -1.489
  218   1HZ   LYS  26          HZ1       LYS  26  13.005   4.982  -2.647
  219   2HZ   LYS  26          HZ2       LYS  26  13.763   6.477  -2.364
  220   3HZ   LYS  26          HZ3       LYS  26  12.469   5.979  -1.382
  221    H    LEU  27           HN       LEU  27  14.156  -0.953   0.651
  222    HA   LEU  27           HA       LEU  27  16.684   0.046   1.635
  223   1HB   LEU  27          HB2       LEU  27  14.592  -0.718   2.904
  224   2HB   LEU  27          HB1       LEU  27  15.133  -2.370   2.601
  225    HG   LEU  27           HG       LEU  27  17.365  -0.856   3.575
  226   1HD1  LEU  27          HD11      LEU  27  15.373   0.534   4.494
  227   2HD1  LEU  27          HD12      LEU  27  16.616   0.017   5.633
  228   3HD1  LEU  27          HD13      LEU  27  15.083  -0.851   5.547
  229   1HD2  LEU  27          HD21      LEU  27  17.300  -2.575   5.351
  230   2HD2  LEU  27          HD22      LEU  27  17.043  -3.299   3.764
  231   3HD2  LEU  27          HD23      LEU  27  15.675  -3.036   4.846
  232    H    MET  28           HN       MET  28  15.709  -2.963   0.013
  233    HA   MET  28           HA       MET  28  18.052  -4.515   0.539
  234   1HB   MET  28          HB2       MET  28  15.804  -4.455  -1.417
  235   2HB   MET  28          HB1       MET  28  17.211  -5.418  -1.866
  236   1HG   MET  28          HG2       MET  28  17.043  -6.752   0.118
  237   2HG   MET  28          HG1       MET  28  15.850  -5.662   0.825
  238   1HE   MET  28          HE1       MET  28  15.078  -9.384  -1.360
  239   2HE   MET  28          HE2       MET  28  15.909  -8.959   0.134
  240   3HE   MET  28          HE3       MET  28  16.648  -8.570  -1.417
  241    HA   PRO  29           HA       PRO  29  20.811  -2.030  -1.979
  242   1HB   PRO  29          HB2       PRO  29  23.092  -3.397  -1.335
  243   2HB   PRO  29          HB1       PRO  29  22.344  -2.203  -0.256
  244   1HG   PRO  29          HG2       PRO  29  22.255  -5.167  -0.149
  245   2HG   PRO  29          HG1       PRO  29  22.303  -3.988   1.170
  246   1HD   PRO  29          HD2       PRO  29  20.036  -5.309   0.334
  247   2HD   PRO  29          HD1       PRO  29  20.041  -3.766   1.214
  248    H    GLN  30           HN       GLN  30  22.741  -2.817  -3.560
  249    HA   GLN  30           HA       GLN  30  21.538  -4.504  -5.576
  250   1HB   GLN  30          HB2       GLN  30  23.274  -2.553  -5.704
  251   2HB   GLN  30          HB1       GLN  30  24.470  -3.810  -5.386
  252   1HG   GLN  30          HG2       GLN  30  22.540  -4.588  -7.449
  253   2HG   GLN  30          HG1       GLN  30  23.455  -3.144  -7.883
  254   1HE2  GLN  30          HE21      GLN  30  23.715  -6.609  -7.267
  255   2HE2  GLN  30          HE22      GLN  30  25.341  -6.752  -7.730
  256    H    LEU  31           HN       LEU  31  21.360  -6.695  -5.304
  257    HA   LEU  31           HA       LEU  31  23.732  -8.192  -4.241
  258   1HB   LEU  31          HB2       LEU  31  21.698  -7.781  -2.674
  259   2HB   LEU  31          HB1       LEU  31  20.857  -8.945  -3.698
  260    HG   LEU  31           HG       LEU  31  23.546  -9.813  -2.854
  261   1HD1  LEU  31          HD11      LEU  31  23.012  -8.741  -0.778
  262   2HD1  LEU  31          HD12      LEU  31  22.645 -10.452  -0.556
  263   3HD1  LEU  31          HD13      LEU  31  21.341  -9.300  -0.844
  264   1HD2  LEU  31          HD21      LEU  31  22.059 -11.338  -3.995
  265   2HD2  LEU  31          HD22      LEU  31  20.755 -11.001  -2.856
  266   3HD2  LEU  31          HD23      LEU  31  22.186 -11.883  -2.322