*HEADER    ANTIFUNGAL PROTEIN                      13-APR-18   6D2H              
*TITLE     THREE-DIMENSIONAL STRUCTURES OF [PHE3]CM-P1 ANALOGS                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SER-ARG-PHE-GLU-LEU-ILE-VAL-HIS-GLN-ARG-NH2;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    SDS MICELLES, ANTIFUNGAL PEPTIDE, ANTIFUNGAL PROTEIN                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.F.ALVES,L.M.LIAO                                                  
*REVDAT   1   17-APR-19 6D2H    0                                                
# Restraints file 1: phiepsi.tbl
!PHI
!MONOMER A
assign ( resid  1  and name c   )  ( resid  2  and name n  )
       ( resid  2  and name ca  )  ( resid  2  and name c  )  1.0   -64.679  5.681  2
assign ( resid  2  and name c   )  ( resid  3  and name n  )
       ( resid  3  and name ca  )  ( resid  3  and name c  )  1.0   -64.391  6.139  2
assign ( resid  3  and name c   )  ( resid  4  and name n  )
       ( resid  4  and name ca  )  ( resid  4  and name c  )  1.0   -65.776  6.442  2
assign ( resid  4  and name c   )  ( resid  5  and name n  )
       ( resid  5  and name ca  )  ( resid  5  and name c  )  1.0   -63.350 3.775  2            
assign ( resid  5  and name c   )  ( resid  6  and name n  )
       ( resid  6  and name ca  )  ( resid  6  and name c  )  1.0   -73.099  17.120  2          
assign ( resid  6  and name c   )  ( resid  7  and name n  )
       ( resid  7  and name ca  )  ( resid  7  and name c  )  1.0   -66.805   7.312  2
assign ( resid  7  and name c   )  ( resid  8  and name n  )
       ( resid  8  and name ca  )  ( resid  8  and name c  )  1.0   -65.173   13.955  2
assign ( resid  8  and name c   )  ( resid  9  and name n  )
       ( resid  9  and name ca  )  ( resid  9  and name c  )  1.0   -67.113  13.466  2
!
!PSi
!MONOMER A
assign ( resid 2  and name n  )  ( resid 2  and name ca  )
       ( resid 2  and name c  )  ( resid 3  and name n  )  1.0  -35.051    15.584  2
assign ( resid 3  and name n  )  ( resid 3  and name ca  )
       ( resid 3  and name c  )  ( resid 4  and name n  )  1.0  -36.684    6.689  2
assign ( resid 4  and name n  )  ( resid 4  and name ca  )
       ( resid 4  and name c  )  ( resid 5  and name n  ) 1.0   -38.570  6.454  2 
assign ( resid 5  and name n  )  ( resid 5  and name ca  )             
       ( resid 5  and name c  )  ( resid 6  and name n  ) 1.0   -40.353  9.611  2 
assign ( resid 6  and name n  )  ( resid 6  and name ca  )           
       ( resid 6  and name c  )  ( resid 7  and name n  ) 1.0   -43.809  7.756  2 
assign ( resid 7  and name n  )  ( resid 7  and name ca  )  
       ( resid 7  and name c  )  ( resid 8  and name n  ) 1.0   -34.178  11.164  2 
assign ( resid 8  and name n  )  ( resid 8  and name ca  )  
       ( resid 8  and name c  )  ( resid 9  and name n  ) 1.0   -31.995  23.617  2 
assign ( resid 9  and name n  )  ( resid 9  and name ca  )  
       ( resid 9  and name c  )  ( resid 10  and name n  ) 1.0   -31.797  15.011  2 
!
# Restraints file 2: cmp1_mod_SQ_IR_MR.tbl
! On my watch it's Wed Jul 15 15:12:17 2015.
!SQ
ASSI  (RESI     1 AND NAME  HT#)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME   HA)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME  HB1)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     1 AND NAME  HT#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     1 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     3 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME HH11)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB1)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB1)
      (RESI     2 AND NAME HH11)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     2 AND NAME HH11)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB1)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB1)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     6 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB1)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     4 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     7 AND NAME HG2#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME HD1#)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG2#)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HB)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG2#)
      (RESI     8 AND NAME  HD1)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB1)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB2)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD1)
      (RESI     7 AND NAME HG2#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HB1)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME  HG#)      5.000 3.200 0.000
! On my watch it's Wed Jul 15 15:12:17 2015.
!
ASSI  (RESI     1 AND NAME  HT#)
      (RESI     1 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     1 AND NAME  HT#)
      (RESI     1 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     1 AND NAME   HA)
      (RESI     1 AND NAME  HT#)      3.400 1.600 0.000
ASSI  (RESI     1 AND NAME  HB1)
      (RESI     1 AND NAME  HT#)      5.000 3.200 0.000
ASSI  (RESI     1 AND NAME  HB1)
      (RESI     1 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     1 AND NAME   HA)
      (RESI     1 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HG1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     2 AND NAME  HG1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     2 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     2 AND NAME  HD1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HD1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HA)
      (RESI     2 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB1)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB2)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HD1)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG1)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB2)
      (RESI     2 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME  HB2)
      (RESI     2 AND NAME  HD1)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME  HG1)
      (RESI     2 AND NAME  HD1)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME  HD1)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB1)
      (RESI     2 AND NAME  HD1)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME HH11)
      (RESI     2 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HA)
      (RESI     2 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HD1)
      (RESI     2 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME  HG1)
      (RESI     2 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HD1)
      (RESI     2 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     2 AND NAME  HG2)
      (RESI     2 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HG1)
      (RESI     2 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HD1)
      (RESI     2 AND NAME  HG1)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME   HA)
      (RESI     2 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HD1)
      (RESI     2 AND NAME   HE)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB1)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB1)
      (RESI     3 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     3 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME  HE1)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HZ)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HB1)
      (RESI     4 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HG#)
      (RESI     4 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HB1)
      (RESI     4 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HB1)
      (RESI     4 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HG#)
      (RESI     4 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME HD1#)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB1)
      (RESI     5 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME HD1#)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB2)
      (RESI     5 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME  HB1)
      (RESI     5 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME HD2#)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD1#)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME HD2#)
      (RESI     5 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD2#)
      (RESI     5 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD1#)
      (RESI     5 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME HD1#)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME HG11)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME HD1#)
      (RESI     6 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME HD1#)
      (RESI     6 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME HD1#)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME HG12)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME HG12)
      (RESI     6 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME HG2#)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG2#)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG1#)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME HG2#)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB1)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB2)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HD2)
      (RESI     8 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD2)
      (RESI     8 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HD1)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB1)
      (RESI     8 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB2)
      (RESI     8 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HB1)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HB1)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HB1)
      (RESI     9 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME  HB1)
      (RESI     9 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HG#)
      (RESI     9 AND NAME  HB1)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HD1)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HG1)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HE)
      (RESI    10 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG1)
      (RESI    10 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HB1)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD1)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HB1)
      (RESI    10 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HG1)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HG1)
      (RESI    10 AND NAME  HD1)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME  HG1)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HD1)
      (RESI    10 AND NAME  HG1)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HB1)
      (RESI    10 AND NAME  HG1)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME  HD1)
      (RESI    10 AND NAME   HE)      2.800 1.000 0.000
! On my watch it's Wed Jul 15 15:12:17 2015.
!MR
ASSI  (RESI     1 AND NAME   HA)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     6 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     7 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     8 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     9 AND NAME  HB1)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HB)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME HG1#)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB1)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME  HB2)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HB1)
      (RESI     6 AND NAME   HA)      5.000 3.200 0.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1   1.544   2.332   4.546
    2    H2   SER   1           HT2      SER   1   0.315   2.448   3.380
    3    H3   SER   1           HT3      SER   1   1.952   2.521   2.914
    4    HA   SER   1           HA       SER   1   1.716   0.159   4.282
    5    HB2  SER   1           HB2      SER   1  -0.139  -0.828   2.706
    6    HB3  SER   1           HB1      SER   1  -0.629   0.019   4.174
    7    HG   SER   1           HG       SER   1  -1.709   0.704   2.189
    8    H    ARG   2           HN       ARG   2   0.690   0.969   0.981
    9    HA   ARG   2           HA       ARG   2   2.407  -0.808  -0.316
   10    HB2  ARG   2           HB2      ARG   2   0.395   0.366  -1.298
   11    HB3  ARG   2           HB1      ARG   2   1.405   1.796  -1.475
   12    HG2  ARG   2           HG2      ARG   2   3.054   0.172  -2.703
   13    HG3  ARG   2           HG1      ARG   2   1.643  -0.843  -2.865
   14    HD2  ARG   2           HD2      ARG   2   1.901   0.605  -4.832
   15    HD3  ARG   2           HD1      ARG   2   0.411   0.968  -3.958
   16    HE   ARG   2           HE       ARG   2   1.308   3.009  -3.332
   17   HH11  ARG   2          HH11      ARG   2   2.961   4.409  -2.967
   18   HH12  ARG   2          HH12      ARG   2   4.553   4.121  -3.584
   19   HH21  ARG   2          HH21      ARG   2   3.694   1.002  -4.852
   20   HH22  ARG   2          HH22      ARG   2   4.982   2.143  -4.651
   21    H    PHE   3           HN       PHE   3   2.806   2.662   0.306
   22    HA   PHE   3           HA       PHE   3   5.157   3.080  -1.109
   23    HB2  PHE   3           HB2      PHE   3   3.774   4.402   1.146
   24    HB3  PHE   3           HB1      PHE   3   5.464   4.831   0.896
   25    HD1  PHE   3           HD1      PHE   3   6.211   5.368  -1.507
   26    HD2  PHE   3           HD2      PHE   3   2.113   5.302  -0.245
   27    HE1  PHE   3           HE1      PHE   3   5.579   6.654  -3.521
   28    HE2  PHE   3           HE2      PHE   3   1.475   6.595  -2.265
   29    HZ   PHE   3           HZ       PHE   3   3.222   7.239  -3.893
   30    H    GLU   4           HN       GLU   4   4.787   2.154   2.330
   31    HA   GLU   4           HA       GLU   4   7.519   2.200   2.944
   32    HB2  GLU   4           HB2      GLU   4   5.418   0.454   4.226
   33    HB3  GLU   4           HB1      GLU   4   6.904   1.048   4.951
   34    HG2  GLU   4           HG2      GLU   4   5.505   2.667   5.773
   35    HG3  GLU   4           HG1      GLU   4   5.841   3.409   4.207
   36    H    LEU   5           HN       LEU   5   5.477  -0.439   1.721
   37    HA   LEU   5           HA       LEU   5   7.299  -2.529   2.068
   38    HB2  LEU   5           HB2      LEU   5   4.961  -1.977   0.323
   39    HB3  LEU   5           HB1      LEU   5   6.040  -3.257  -0.200
   40    HG   LEU   5           HG       LEU   5   5.660  -3.581   2.600
   41   HD11  LEU   5          HD11      LEU   5   3.054  -4.093   2.135
   42   HD12  LEU   5          HD12      LEU   5   3.262  -2.682   1.096
   43   HD13  LEU   5          HD13      LEU   5   3.625  -2.575   2.819
   44   HD21  LEU   5          HD21      LEU   5   6.124  -5.331   0.860
   45   HD22  LEU   5          HD22      LEU   5   4.464  -5.155   0.296
   46   HD23  LEU   5          HD23      LEU   5   4.785  -5.745   1.927
   47    H    ILE   6           HN       ILE   6   7.106   0.037  -0.261
   48    HA   ILE   6           HA       ILE   6   9.144  -1.079  -1.965
   49    HB   ILE   6           HB       ILE   6   7.973   1.705  -2.044
   50   HG12  ILE   6          HG12      ILE   6   6.064   0.352  -2.242
   51   HG13  ILE   6          HG11      ILE   6   6.555   0.578  -3.916
   52   HG21  ILE   6          HG21      ILE   6   9.926   1.510  -3.439
   53   HG22  ILE   6          HG22      ILE   6   8.536   1.383  -4.515
   54   HG23  ILE   6          HG23      ILE   6   9.418  -0.068  -4.039
   55   HD11  ILE   6          HD11      ILE   6   7.924  -1.597  -3.580
   56   HD12  ILE   6          HD12      ILE   6   6.179  -1.739  -3.770
   57   HD13  ILE   6          HD13      ILE   6   6.902  -1.851  -2.166
   58    H    VAL   7           HN       VAL   7   8.744   1.779   0.090
   59    HA   VAL   7           HA       VAL   7  11.348   2.795  -0.145
   60    HB   VAL   7           HB       VAL   7   9.583   2.977   2.317
   61   HG11  VAL   7          HG11      VAL   7  11.604   4.941   1.184
   62   HG12  VAL   7          HG12      VAL   7  11.971   3.803   2.481
   63   HG13  VAL   7          HG13      VAL   7  10.757   5.058   2.725
   64   HG21  VAL   7          HG21      VAL   7   8.134   4.197   1.095
   65   HG22  VAL   7          HG22      VAL   7   9.057   3.821  -0.359
   66   HG23  VAL   7          HG23      VAL   7   9.437   5.263   0.581
   67    H    HIS   8           HN       HIS   8  10.154   0.067   1.606
   68    HA   HIS   8           HA       HIS   8  11.957  -0.229   3.677
   69    HB2  HIS   8           HB2      HIS   8  10.563  -1.999   3.797
   70    HB3  HIS   8           HB1      HIS   8  10.284  -2.012   2.059
   71    HD2  HIS   8           HD2      HIS   8  11.987  -4.204   4.609
   72    HE1  HIS   8           HE1      HIS   8  13.924  -5.060   0.956
   73    HE2  HIS   8           HE2      HIS   8  13.589  -5.842   3.351
   74    H    GLN   9           HN       GLN   9  12.559  -0.489   0.247
   75    HA   GLN   9           HA       GLN   9  15.017  -1.916   0.438
   76    HB2  GLN   9           HB2      GLN   9  15.348  -1.279  -1.901
   77    HB3  GLN   9           HB1      GLN   9  13.691  -1.816  -1.653
   78    HG2  GLN   9           HG2      GLN   9  13.012   0.129  -2.556
   79    HG3  GLN   9           HG1      GLN   9  13.611   0.927  -1.104
   80   HE21  GLN   9          HE21      GLN   9  16.468   0.026  -1.943
   81   HE22  GLN   9          HE22      GLN   9  16.895   1.152  -3.138
   82    H    ARG  10           HN       ARG  10  14.106   1.321   1.096
   83    HA   ARG  10           HA       ARG  10  15.293   3.272   1.430
   84    HB2  ARG  10           HB2      ARG  10  16.778   1.090   2.827
   85    HB3  ARG  10           HB1      ARG  10  17.519   2.684   2.754
   86    HG2  ARG  10           HG2      ARG  10  16.272   2.995   4.667
   87    HG3  ARG  10           HG1      ARG  10  15.055   3.459   3.482
   88    HD2  ARG  10           HD2      ARG  10  14.478   1.689   5.368
   89    HD3  ARG  10           HD1      ARG  10  13.851   1.497   3.735
   90    HE   ARG  10           HE       ARG  10  15.109  -0.431   3.560
   91   HH11  ARG  10          HH11      ARG  10  16.770  -1.876   4.149
   92   HH12  ARG  10          HH12      ARG  10  17.867  -1.461   5.425
   93   HH21  ARG  10          HH21      ARG  10  16.404   1.629   6.032
   94   HH22  ARG  10          HH22      ARG  10  17.654   0.528   6.499
   95    HN1  NH2  11           H1       ARG  10  15.696   2.745  -1.207
   96    HN2  NH2  11           H2       ARG  10  17.321   2.977  -1.640
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1   1.283   2.244   4.050
    2    H2   SER   1           HT2      SER   1  -0.047   1.189   3.923
    3    H3   SER   1           HT3      SER   1   0.776   1.697   2.529
    4    HA   SER   1           HA       SER   1   2.585   0.514   4.334
    5    HB2  SER   1           HB2      SER   1   0.865  -1.661   3.455
    6    HB3  SER   1           HB1      SER   1   1.513  -1.321   5.053
    7    HG   SER   1           HG       SER   1  -0.688  -1.104   5.194
    8    H    ARG   2           HN       ARG   2   0.691   0.449   1.350
    9    HA   ARG   2           HA       ARG   2   2.256  -1.268  -0.180
   10    HB2  ARG   2           HB2      ARG   2   0.013   0.093  -0.661
   11    HB3  ARG   2           HB1      ARG   2   1.144   1.174  -1.470
   12    HG2  ARG   2           HG2      ARG   2   2.078  -0.983  -2.575
   13    HG3  ARG   2           HG1      ARG   2   0.571  -1.707  -2.063
   14    HD2  ARG   2           HD2      ARG   2   0.347  -0.835  -4.347
   15    HD3  ARG   2           HD1      ARG   2  -0.704   0.040  -3.232
   16    HE   ARG   2           HE       ARG   2   0.663   1.911  -3.443
   17   HH11  ARG   2          HH11      ARG   2   2.541   2.913  -3.999
   18   HH12  ARG   2          HH12      ARG   2   3.690   2.160  -5.054
   19   HH21  ARG   2          HH21      ARG   2   1.888  -0.817  -5.190
   20   HH22  ARG   2          HH22      ARG   2   3.331  -0.013  -5.710
   21    H    PHE   3           HN       PHE   3   2.519   2.293   0.076
   22    HA   PHE   3           HA       PHE   3   4.852   2.415  -1.562
   23    HB2  PHE   3           HB2      PHE   3   3.231   4.301   0.012
   24    HB3  PHE   3           HB1      PHE   3   4.940   4.729  -0.138
   25    HD1  PHE   3           HD1      PHE   3   6.008   4.402  -2.479
   26    HD2  PHE   3           HD2      PHE   3   1.782   4.752  -1.793
   27    HE1  PHE   3           HE1      PHE   3   5.676   4.944  -4.862
   28    HE2  PHE   3           HE2      PHE   3   1.448   5.313  -4.192
   29    HZ   PHE   3           HZ       PHE   3   3.407   5.380  -5.709
   30    H    GLU   4           HN       GLU   4   4.268   2.119   1.886
   31    HA   GLU   4           HA       GLU   4   6.805   2.711   2.871
   32    HB2  GLU   4           HB2      GLU   4   4.670   0.814   3.874
   33    HB3  GLU   4           HB1      GLU   4   6.098   1.265   4.794
   34    HG2  GLU   4           HG2      GLU   4   4.682   2.898   5.581
   35    HG3  GLU   4           HG1      GLU   4   5.271   3.728   4.144
   36    H    LEU   5           HN       LEU   5   5.496  -0.286   1.502
   37    HA   LEU   5           HA       LEU   5   7.674  -1.941   2.195
   38    HB2  LEU   5           HB2      LEU   5   5.607  -2.057   0.001
   39    HB3  LEU   5           HB1      LEU   5   6.789  -3.321   0.286
   40    HG   LEU   5           HG       LEU   5   5.401  -2.446   2.727
   41   HD11  LEU   5          HD11      LEU   5   3.768  -4.126   0.849
   42   HD12  LEU   5          HD12      LEU   5   3.698  -2.369   0.725
   43   HD13  LEU   5          HD13      LEU   5   3.247  -3.160   2.231
   44   HD21  LEU   5          HD21      LEU   5   6.950  -4.499   2.230
   45   HD22  LEU   5          HD22      LEU   5   5.490  -5.222   1.555
   46   HD23  LEU   5          HD23      LEU   5   5.532  -4.737   3.249
   47    H    ILE   6           HN       ILE   6   7.094   0.348  -0.365
   48    HA   ILE   6           HA       ILE   6   9.214  -0.491  -2.082
   49    HB   ILE   6           HB       ILE   6   8.103   2.304  -1.958
   50   HG12  ILE   6          HG12      ILE   6   6.138   0.926  -1.827
   51   HG13  ILE   6          HG11      ILE   6   6.287   1.436  -3.505
   52   HG21  ILE   6          HG21      ILE   6   8.559   2.306  -4.311
   53   HG22  ILE   6          HG22      ILE   6   8.763   0.556  -4.345
   54   HG23  ILE   6          HG23      ILE   6   9.975   1.570  -3.560
   55   HD11  ILE   6          HD11      ILE   6   7.512  -0.734  -3.946
   56   HD12  ILE   6          HD12      ILE   6   5.807  -0.915  -3.528
   57   HD13  ILE   6          HD13      ILE   6   7.047  -1.246  -2.323
   58    H    VAL   7           HN       VAL   7   8.818   2.284   0.113
   59    HA   VAL   7           HA       VAL   7  11.476   3.208  -0.090
   60    HB   VAL   7           HB       VAL   7  11.027   4.381   2.048
   61   HG11  VAL   7          HG11      VAL   7  10.191   5.287  -0.120
   62   HG12  VAL   7          HG12      VAL   7   9.152   5.726   1.234
   63   HG13  VAL   7          HG13      VAL   7   8.668   4.433   0.136
   64   HG21  VAL   7          HG21      VAL   7   8.493   2.724   1.973
   65   HG22  VAL   7          HG22      VAL   7   8.741   4.103   3.041
   66   HG23  VAL   7          HG23      VAL   7   9.746   2.663   3.210
   67    H    HIS   8           HN       HIS   8  10.057   0.573   1.627
   68    HA   HIS   8           HA       HIS   8  11.914   0.101   3.659
   69    HB2  HIS   8           HB2      HIS   8   9.696  -1.139   3.070
   70    HB3  HIS   8           HB1      HIS   8  10.720  -2.140   2.043
   71    HD2  HIS   8           HD2      HIS   8  12.177  -4.078   3.420
   72    HE1  HIS   8           HE1      HIS   8  11.405  -2.679   7.332
   73    HE2  HIS   8           HE2      HIS   8  12.461  -4.559   5.974
   74    H    GLN   9           HN       GLN   9  12.301   0.042   0.276
   75    HA   GLN   9           HA       GLN   9  14.180  -1.957  -0.155
   76    HB2  GLN   9           HB2      GLN   9  14.950  -0.561  -2.061
   77    HB3  GLN   9           HB1      GLN   9  13.192  -0.677  -1.982
   78    HG2  GLN   9           HG2      GLN   9  13.483   1.521  -0.487
   79    HG3  GLN   9           HG1      GLN   9  14.960   1.670  -1.433
   80   HE21  GLN   9          HE21      GLN   9  13.758   0.376  -3.845
   81   HE22  GLN   9          HE22      GLN   9  12.686   1.523  -4.492
   82    H    ARG  10           HN       ARG  10  14.690   1.366   1.009
   83    HA   ARG  10           HA       ARG  10  16.584   2.417   1.809
   84    HB2  ARG  10           HB2      ARG  10  16.470  -0.264   3.133
   85    HB3  ARG  10           HB1      ARG  10  17.895   0.738   3.395
   86    HG2  ARG  10           HG2      ARG  10  16.523   1.494   5.114
   87    HG3  ARG  10           HG1      ARG  10  16.125   2.641   3.833
   88    HD2  ARG  10           HD2      ARG  10  14.080   1.745   4.912
   89    HD3  ARG  10           HD1      ARG  10  14.166   1.310   3.213
   90    HE   ARG  10           HE       ARG  10  14.344  -0.924   3.820
   91   HH11  ARG  10          HH11      ARG  10  14.376  -2.604   5.357
   92   HH12  ARG  10          HH12      ARG  10  14.647  -2.246   7.032
   93   HH21  ARG  10          HH21      ARG  10  14.958   1.178   6.507
   94   HH22  ARG  10          HH22      ARG  10  14.980  -0.089   7.683
   95    HN1  NH2  11           H1       ARG  10  17.223   1.942  -0.748
   96    HN2  NH2  11           H2       ARG  10  18.760   1.239  -0.915
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1   2.471   0.156   5.407
    2    H2   SER   1           HT2      SER   1   3.692   0.313   4.239
    3    H3   SER   1           HT3      SER   1   3.472  -1.163   5.048
    4    HA   SER   1           HA       SER   1   1.679  -1.749   3.833
    5    HB2  SER   1           HB2      SER   1   0.966   0.909   2.786
    6    HB3  SER   1           HB1      SER   1  -0.054  -0.356   3.446
    7    HG   SER   1           HG       SER   1   1.407   1.665   4.781
    8    H    ARG   2           HN       ARG   2   0.976  -0.605   1.307
    9    HA   ARG   2           HA       ARG   2   2.920  -1.708  -0.339
   10    HB2  ARG   2           HB2      ARG   2   0.449  -1.099  -0.823
   11    HB3  ARG   2           HB1      ARG   2   1.093   0.466  -1.303
   12    HG2  ARG   2           HG2      ARG   2   2.720  -0.829  -2.812
   13    HG3  ARG   2           HG1      ARG   2   1.694  -2.216  -2.516
   14    HD2  ARG   2           HD2      ARG   2   0.981  -1.081  -4.569
   15    HD3  ARG   2           HD1      ARG   2  -0.270  -0.970  -3.327
   16    HE   ARG   2           HE       ARG   2   0.164   1.300  -3.109
   17   HH11  ARG   2          HH11      ARG   2   1.342   3.109  -3.425
   18   HH12  ARG   2          HH12      ARG   2   2.636   3.169  -4.579
   19   HH21  ARG   2          HH21      ARG   2   2.388  -0.228  -5.298
   20   HH22  ARG   2          HH22      ARG   2   3.254   1.230  -5.642
   21    H    PHE   3           HN       PHE   3   2.329   1.772   0.258
   22    HA   PHE   3           HA       PHE   3   4.440   2.620  -1.457
   23    HB2  PHE   3           HB2      PHE   3   2.397   3.873  -0.024
   24    HB3  PHE   3           HB1      PHE   3   3.900   4.550   0.615
   25    HD1  PHE   3           HD1      PHE   3   5.765   5.023  -1.213
   26    HD2  PHE   3           HD2      PHE   3   1.554   4.752  -2.014
   27    HE1  PHE   3           HE1      PHE   3   6.099   6.214  -3.365
   28    HE2  PHE   3           HE2      PHE   3   1.885   5.948  -4.150
   29    HZ   PHE   3           HZ       PHE   3   4.154   6.659  -4.819
   30    H    GLU   4           HN       GLU   4   4.317   2.112   2.071
   31    HA   GLU   4           HA       GLU   4   6.815   3.180   2.682
   32    HB2  GLU   4           HB2      GLU   4   5.389   0.862   3.991
   33    HB3  GLU   4           HB1      GLU   4   6.702   1.793   4.695
   34    HG2  GLU   4           HG2      GLU   4   5.011   3.037   5.588
   35    HG3  GLU   4           HG1      GLU   4   5.014   3.812   4.004
   36    H    LEU   5           HN       LEU   5   5.986   0.012   1.316
   37    HA   LEU   5           HA       LEU   5   8.370  -1.343   1.836
   38    HB2  LEU   5           HB2      LEU   5   6.315  -1.483  -0.352
   39    HB3  LEU   5           HB1      LEU   5   7.742  -2.503  -0.381
   40    HG   LEU   5           HG       LEU   5   6.449  -2.470   2.237
   41   HD11  LEU   5          HD11      LEU   5   4.362  -3.248   1.735
   42   HD12  LEU   5          HD12      LEU   5   4.899  -4.050   0.261
   43   HD13  LEU   5          HD13      LEU   5   4.613  -2.311   0.266
   44   HD21  LEU   5          HD21      LEU   5   7.676  -4.383   0.313
   45   HD22  LEU   5          HD22      LEU   5   6.458  -5.053   1.397
   46   HD23  LEU   5          HD23      LEU   5   7.884  -4.257   2.059
   47    H    ILE   6           HN       ILE   6   7.456   0.825  -0.793
   48    HA   ILE   6           HA       ILE   6   9.646   0.502  -2.464
   49    HB   ILE   6           HB       ILE   6   8.349   3.174  -1.937
   50   HG12  ILE   6          HG12      ILE   6   6.475   1.680  -2.020
   51   HG13  ILE   6          HG11      ILE   6   6.613   2.390  -3.625
   52   HG21  ILE   6          HG21      ILE   6   8.569   3.307  -4.443
   53   HG22  ILE   6          HG22      ILE   6   9.450   1.781  -4.393
   54   HG23  ILE   6          HG23      ILE   6  10.109   3.206  -3.592
   55   HD11  ILE   6          HD11      ILE   6   7.908   0.398  -4.354
   56   HD12  ILE   6          HD12      ILE   6   6.262   0.007  -3.854
   57   HD13  ILE   6          HD13      ILE   6   7.613  -0.329  -2.775
   58    H    VAL   7           HN       VAL   7   9.214   2.885   0.129
   59    HA   VAL   7           HA       VAL   7  11.955   3.777  -0.042
   60    HB   VAL   7           HB       VAL   7  11.357   5.084   2.027
   61   HG11  VAL   7          HG11      VAL   7   9.330   5.338  -0.211
   62   HG12  VAL   7          HG12      VAL   7  10.995   5.909  -0.326
   63   HG13  VAL   7          HG13      VAL   7   9.898   6.617   0.861
   64   HG21  VAL   7          HG21      VAL   7   9.688   3.527   2.952
   65   HG22  VAL   7          HG22      VAL   7   8.647   3.797   1.556
   66   HG23  VAL   7          HG23      VAL   7   8.967   5.113   2.682
   67    H    HIS   8           HN       HIS   8  10.066   1.672   2.068
   68    HA   HIS   8           HA       HIS   8  12.019   1.263   4.062
   69    HB2  HIS   8           HB2      HIS   8   9.672   0.747   4.412
   70    HB3  HIS   8           HB1      HIS   8   9.735  -0.502   3.169
   71    HD2  HIS   8           HD2      HIS   8  11.728   0.103   6.581
   72    HE1  HIS   8           HE1      HIS   8  10.978  -4.029   6.080
   73    HE2  HIS   8           HE2      HIS   8  11.955  -2.276   7.647
   74    H    GLN   9           HN       GLN   9  11.363  -0.524   1.046
   75    HA   GLN   9           HA       GLN   9  12.907  -2.780   1.508
   76    HB2  GLN   9           HB2      GLN   9  13.134  -2.970  -0.926
   77    HB3  GLN   9           HB1      GLN   9  11.494  -2.512  -0.472
   78    HG2  GLN   9           HG2      GLN   9  11.635  -0.664  -1.732
   79    HG3  GLN   9           HG1      GLN   9  13.033  -0.120  -0.807
   80   HE21  GLN   9          HE21      GLN   9  12.024  -1.334  -3.871
   81   HE22  GLN   9          HE22      GLN   9  13.572  -1.558  -4.527
   82    H    ARG  10           HN       ARG  10  13.976   0.464   0.749
   83    HA   ARG  10           HA       ARG  10  16.654  -0.257   0.098
   84    HB2  ARG  10           HB2      ARG  10  15.231   2.295   0.714
   85    HB3  ARG  10           HB1      ARG  10  16.994   2.257   0.667
   86    HG2  ARG  10           HG2      ARG  10  15.687   0.836  -1.569
   87    HG3  ARG  10           HG1      ARG  10  15.400   2.564  -1.536
   88    HD2  ARG  10           HD2      ARG  10  18.195   1.868  -0.982
   89    HD3  ARG  10           HD1      ARG  10  17.655   1.334  -2.562
   90    HE   ARG  10           HE       ARG  10  17.359   3.570  -3.215
   91   HH11  ARG  10          HH11      ARG  10  17.805   5.786  -2.930
   92   HH12  ARG  10          HH12      ARG  10  18.322   6.374  -1.386
   93   HH21  ARG  10          HH21      ARG  10  18.342   3.252   0.108
   94   HH22  ARG  10          HH22      ARG  10  18.631   4.946   0.323
   95    HN1  NH2  11           H1       ARG  10  15.134  -0.674   2.991
   96    HN2  NH2  11           H2       ARG  10  16.444  -0.410   4.039
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1   2.039   2.381   2.910
    2    H2   SER   1           HT2      SER   1   1.373   2.321   4.467
    3    H3   SER   1           HT3      SER   1   0.355   2.376   3.099
    4    HA   SER   1           HA       SER   1   1.605   0.131   4.355
    5    HB2  SER   1           HB2      SER   1  -0.176  -0.868   2.613
    6    HB3  SER   1           HB1      SER   1  -0.693  -0.089   4.106
    7    HG   SER   1           HG       SER   1  -1.814   0.971   2.567
    8    H    ARG   2           HN       ARG   2   0.693   0.367   0.970
    9    HA   ARG   2           HA       ARG   2   2.639  -1.399   0.021
   10    HB2  ARG   2           HB2      ARG   2   0.514  -0.634  -1.144
   11    HB3  ARG   2           HB1      ARG   2   1.396   0.818  -1.616
   12    HG2  ARG   2           HG2      ARG   2   3.196  -0.897  -2.479
   13    HG3  ARG   2           HG1      ARG   2   1.851  -2.015  -2.453
   14    HD2  ARG   2           HD2      ARG   2   2.081  -0.913  -4.662
   15    HD3  ARG   2           HD1      ARG   2   0.535  -0.570  -3.894
   16    HE   ARG   2           HE       ARG   2   1.229   1.619  -3.505
   17   HH11  ARG   2          HH11      ARG   2   2.741   3.220  -3.493
   18   HH12  ARG   2          HH12      ARG   2   4.285   3.015  -4.247
   19   HH21  ARG   2          HH21      ARG   2   3.660  -0.310  -5.049
   20   HH22  ARG   2          HH22      ARG   2   4.825   0.970  -5.120
   21    H    PHE   3           HN       PHE   3   2.648   2.146   0.067
   22    HA   PHE   3           HA       PHE   3   5.013   2.545  -1.355
   23    HB2  PHE   3           HB2      PHE   3   3.269   4.144   0.322
   24    HB3  PHE   3           HB1      PHE   3   4.969   4.606   0.498
   25    HD1  PHE   3           HD1      PHE   3   2.079   4.820  -1.608
   26    HD2  PHE   3           HD2      PHE   3   6.380   4.752  -1.661
   27    HE1  PHE   3           HE1      PHE   3   2.081   5.755  -3.902
   28    HE2  PHE   3           HE2      PHE   3   6.370   5.694  -3.945
   29    HZ   PHE   3           HZ       PHE   3   4.223   6.177  -5.057
   30    H    GLU   4           HN       GLU   4   4.541   1.956   2.124
   31    HA   GLU   4           HA       GLU   4   7.137   2.485   2.980
   32    HB2  GLU   4           HB2      GLU   4   5.043   0.543   3.962
   33    HB3  GLU   4           HB1      GLU   4   6.561   0.830   4.805
   34    HG2  GLU   4           HG2      GLU   4   5.320   2.446   5.858
   35    HG3  GLU   4           HG1      GLU   4   5.789   3.390   4.445
   36    H    LEU   5           HN       LEU   5   5.738  -0.465   1.557
   37    HA   LEU   5           HA       LEU   5   7.939  -2.154   1.960
   38    HB2  LEU   5           HB2      LEU   5   5.732  -2.047  -0.088
   39    HB3  LEU   5           HB1      LEU   5   6.991  -3.264  -0.157
   40    HG   LEU   5           HG       LEU   5   5.970  -3.039   2.540
   41   HD11  LEU   5          HD11      LEU   5   3.732  -4.114   1.947
   42   HD12  LEU   5          HD12      LEU   5   4.002  -3.545   0.300
   43   HD13  LEU   5          HD13      LEU   5   3.863  -2.385   1.622
   44   HD21  LEU   5          HD21      LEU   5   5.958  -5.283   0.500
   45   HD22  LEU   5          HD22      LEU   5   5.677  -5.471   2.232
   46   HD23  LEU   5          HD23      LEU   5   7.255  -4.945   1.646
   47    H    ILE   6           HN       ILE   6   7.221   0.314  -0.394
   48    HA   ILE   6           HA       ILE   6   9.373  -0.269  -2.166
   49    HB   ILE   6           HB       ILE   6   8.085   2.434  -1.874
   50   HG12  ILE   6          HG12      ILE   6   6.206   0.919  -1.807
   51   HG13  ILE   6          HG11      ILE   6   6.299   1.568  -3.444
   52   HG21  ILE   6          HG21      ILE   6   9.982   1.831  -3.542
   53   HG22  ILE   6          HG22      ILE   6   8.563   2.663  -4.174
   54   HG23  ILE   6          HG23      ILE   6   8.738   0.926  -4.404
   55   HD11  ILE   6          HD11      ILE   6   7.507  -0.460  -4.171
   56   HD12  ILE   6          HD12      ILE   6   5.931  -0.863  -3.497
   57   HD13  ILE   6          HD13      ILE   6   7.391  -1.113  -2.539
   58    H    VAL   7           HN       VAL   7   8.781   2.236   0.271
   59    HA   VAL   7           HA       VAL   7  11.337   3.418   0.148
   60    HB   VAL   7           HB       VAL   7   9.708   3.274   2.684
   61   HG11  VAL   7          HG11      VAL   7  10.510   5.674   2.779
   62   HG12  VAL   7          HG12      VAL   7  11.506   5.326   1.366
   63   HG13  VAL   7          HG13      VAL   7  11.789   4.465   2.880
   64   HG21  VAL   7          HG21      VAL   7   8.984   4.477   0.058
   65   HG22  VAL   7          HG22      VAL   7   8.761   5.511   1.468
   66   HG23  VAL   7          HG23      VAL   7   7.944   3.952   1.382
   67    H    HIS   8           HN       HIS   8  10.045   0.797   2.154
   68    HA   HIS   8           HA       HIS   8  12.216   0.407   3.843
   69    HB2  HIS   8           HB2      HIS   8   9.974  -0.751   3.953
   70    HB3  HIS   8           HB1      HIS   8  10.545  -1.824   2.674
   71    HD2  HIS   8           HD2      HIS   8  13.390  -0.990   5.135
   72    HE1  HIS   8           HE1      HIS   8  11.800  -4.702   6.378
   73    HE2  HIS   8           HE2      HIS   8  13.726  -3.071   6.680
   74    H    GLN   9           HN       GLN   9  12.061  -0.107   0.427
   75    HA   GLN   9           HA       GLN   9  13.946  -2.194   0.191
   76    HB2  GLN   9           HB2      GLN   9  14.037  -1.695  -2.093
   77    HB3  GLN   9           HB1      GLN   9  12.433  -1.136  -1.632
   78    HG2  GLN   9           HG2      GLN   9  12.999   0.853  -2.537
   79    HG3  GLN   9           HG1      GLN   9  14.068   1.081  -1.155
   80   HE21  GLN   9          HE21      GLN   9  14.272   1.646  -4.251
   81   HE22  GLN   9          HE22      GLN   9  15.825   1.069  -4.624
   82    H    ARG  10           HN       ARG  10  14.283   1.043   1.215
   83    HA   ARG  10           HA       ARG  10  16.069   2.356   1.726
   84    HB2  ARG  10           HB2      ARG  10  16.846  -0.391   2.350
   85    HB3  ARG  10           HB1      ARG  10  18.226   0.647   2.025
   86    HG2  ARG  10           HG2      ARG  10  18.010   1.410   4.138
   87    HG3  ARG  10           HG1      ARG  10  16.587   2.272   3.543
   88    HD2  ARG  10           HD2      ARG  10  16.647   0.274   5.535
   89    HD3  ARG  10           HD1      ARG  10  15.243   1.051   4.825
   90    HE   ARG  10           HE       ARG  10  14.981  -0.807   3.357
   91   HH11  ARG  10          HH11      ARG  10  15.137  -3.048   3.113
   92   HH12  ARG  10          HH12      ARG  10  16.360  -3.933   3.967
   93   HH21  ARG  10          HH21      ARG  10  17.653  -1.147   5.561
   94   HH22  ARG  10          HH22      ARG  10  17.781  -2.859   5.341
   95    HN1  NH2  11           H1       ARG  10  18.091  -0.077   0.084
   96    HN2  NH2  11           H2       ARG  10  18.563   0.949  -1.182
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   0.751   2.689   4.065
    2    H2   SER   1           HT2      SER   1  -0.161   2.344   2.674
    3    H3   SER   1           HT3      SER   1   1.509   2.614   2.545
    4    HA   SER   1           HA       SER   1   1.512   0.618   4.277
    5    HB2  SER   1           HB2      SER   1  -0.239  -0.885   2.767
    6    HB3  SER   1           HB1      SER   1  -0.573  -0.238   4.370
    7    HG   SER   1           HG       SER   1  -1.875   1.199   3.517
    8    H    ARG   2           HN       ARG   2   0.426   0.595   0.888
    9    HA   ARG   2           HA       ARG   2   2.291  -1.262  -0.031
   10    HB2  ARG   2           HB2      ARG   2   0.156  -0.261  -1.149
   11    HB3  ARG   2           HB1      ARG   2   1.267   0.943  -1.790
   12    HG2  ARG   2           HG2      ARG   2   2.708  -1.129  -2.492
   13    HG3  ARG   2           HG1      ARG   2   1.198  -1.994  -2.314
   14    HD2  ARG   2           HD2      ARG   2   1.538  -1.163  -4.636
   15    HD3  ARG   2           HD1      ARG   2   0.076  -0.531  -3.881
   16    HE   ARG   2           HE       ARG   2   1.022   1.573  -3.881
   17   HH11  ARG   2          HH11      ARG   2   2.690   2.979  -3.905
   18   HH12  ARG   2          HH12      ARG   2   4.299   2.488  -4.318
   19   HH21  ARG   2          HH21      ARG   2   3.396  -0.858  -4.569
   20   HH22  ARG   2          HH22      ARG   2   4.706   0.271  -4.680
   21    H    PHE   3           HN       PHE   3   2.455   2.311  -0.181
   22    HA   PHE   3           HA       PHE   3   4.899   2.457  -1.558
   23    HB2  PHE   3           HB2      PHE   3   3.109   4.317  -0.473
   24    HB3  PHE   3           HB1      PHE   3   4.664   4.649   0.303
   25    HD1  PHE   3           HD1      PHE   3   2.759   5.087  -2.665
   26    HD2  PHE   3           HD2      PHE   3   6.758   4.532  -1.228
   27    HE1  PHE   3           HE1      PHE   3   3.639   5.970  -4.797
   28    HE2  PHE   3           HE2      PHE   3   7.648   5.427  -3.366
   29    HZ   PHE   3           HZ       PHE   3   6.082   6.126  -5.140
   30    H    GLU   4           HN       GLU   4   4.252   2.158   1.920
   31    HA   GLU   4           HA       GLU   4   6.807   2.719   2.880
   32    HB2  GLU   4           HB2      GLU   4   4.681   0.819   3.897
   33    HB3  GLU   4           HB1      GLU   4   6.126   1.254   4.796
   34    HG2  GLU   4           HG2      GLU   4   4.784   2.910   5.616
   35    HG3  GLU   4           HG1      GLU   4   5.275   3.727   4.132
   36    H    LEU   5           HN       LEU   5   5.469  -0.319   1.585
   37    HA   LEU   5           HA       LEU   5   7.634  -1.989   2.224
   38    HB2  LEU   5           HB2      LEU   5   5.619  -1.984  -0.025
   39    HB3  LEU   5           HB1      LEU   5   6.807  -3.255   0.183
   40    HG   LEU   5           HG       LEU   5   5.411  -2.624   2.670
   41   HD11  LEU   5          HD11      LEU   5   3.875  -3.127   0.174
   42   HD12  LEU   5          HD12      LEU   5   3.396  -2.283   1.645
   43   HD13  LEU   5          HD13      LEU   5   3.384  -4.044   1.597
   44   HD21  LEU   5          HD21      LEU   5   5.876  -4.806   3.028
   45   HD22  LEU   5          HD22      LEU   5   6.739  -4.786   1.490
   46   HD23  LEU   5          HD23      LEU   5   5.051  -5.292   1.549
   47    H    ILE   6           HN       ILE   6   6.950   0.155  -0.488
   48    HA   ILE   6           HA       ILE   6   9.218  -0.464  -2.045
   49    HB   ILE   6           HB       ILE   6   7.944   2.268  -1.970
   50   HG12  ILE   6          HG12      ILE   6   6.050   0.778  -1.913
   51   HG13  ILE   6          HG11      ILE   6   6.245   1.275  -3.591
   52   HG21  ILE   6          HG21      ILE   6   8.337   2.082  -4.425
   53   HG22  ILE   6          HG22      ILE   6   9.040   0.484  -4.174
   54   HG23  ILE   6          HG23      ILE   6   9.829   1.910  -3.502
   55   HD11  ILE   6          HD11      ILE   6   7.729  -0.850  -3.801
   56   HD12  ILE   6          HD12      ILE   6   5.977  -1.049  -3.765
   57   HD13  ILE   6          HD13      ILE   6   6.930  -1.355  -2.313
   58    H    VAL   7           HN       VAL   7   8.556   2.114   0.297
   59    HA   VAL   7           HA       VAL   7  11.067   3.364   0.194
   60    HB   VAL   7           HB       VAL   7   9.290   3.147   2.640
   61   HG11  VAL   7          HG11      VAL   7  10.679   5.666   1.985
   62   HG12  VAL   7          HG12      VAL   7  11.756   4.325   2.375
   63   HG13  VAL   7          HG13      VAL   7  10.526   4.836   3.530
   64   HG21  VAL   7          HG21      VAL   7   8.943   5.569   1.100
   65   HG22  VAL   7          HG22      VAL   7   7.731   4.389   1.597
   66   HG23  VAL   7          HG23      VAL   7   8.613   4.159   0.089
   67    H    HIS   8           HN       HIS   8  10.012   0.424   1.694
   68    HA   HIS   8           HA       HIS   8  12.283   0.194   3.448
   69    HB2  HIS   8           HB2      HIS   8  10.138  -0.843   4.046
   70    HB3  HIS   8           HB1      HIS   8  10.217  -1.849   2.605
   71    HD2  HIS   8           HD2      HIS   8  10.645  -4.292   3.960
   72    HE1  HIS   8           HE1      HIS   8  14.229  -3.149   5.873
   73    HE2  HIS   8           HE2      HIS   8  12.685  -5.106   5.377
   74    H    GLN   9           HN       GLN   9  11.184  -1.628   0.570
   75    HA   GLN   9           HA       GLN   9  13.712  -2.957   0.327
   76    HB2  GLN   9           HB2      GLN   9  12.711  -3.977  -1.698
   77    HB3  GLN   9           HB1      GLN   9  11.703  -4.147  -0.266
   78    HG2  GLN   9           HG2      GLN   9  10.007  -3.095  -1.305
   79    HG3  GLN   9           HG1      GLN   9  11.022  -1.678  -1.554
   80   HE21  GLN   9          HE21      GLN   9  12.962  -2.774  -3.340
   81   HE22  GLN   9          HE22      GLN   9  12.184  -3.202  -4.787
   82    H    ARG  10           HN       ARG  10  12.230  -0.156  -1.194
   83    HA   ARG  10           HA       ARG  10  13.010   1.342  -2.723
   84    HB2  ARG  10           HB2      ARG  10  15.469   0.349  -1.370
   85    HB3  ARG  10           HB1      ARG  10  15.694   1.245  -2.875
   86    HG2  ARG  10           HG2      ARG  10  15.618   3.033  -1.423
   87    HG3  ARG  10           HG1      ARG  10  13.888   2.844  -1.721
   88    HD2  ARG  10           HD2      ARG  10  14.216   2.999   0.663
   89    HD3  ARG  10           HD1      ARG  10  13.751   1.350   0.266
   90    HE   ARG  10           HE       ARG  10  16.541   1.402   0.272
   91   HH11  ARG  10          HH11      ARG  10  17.689   0.784   2.137
   92   HH12  ARG  10          HH12      ARG  10  16.902   0.798   3.681
   93   HH21  ARG  10          HH21      ARG  10  13.862   1.931   2.433
   94   HH22  ARG  10          HH22      ARG  10  14.740   1.450   3.855
   95    HN1  NH2  11           H1       ARG  10  15.399  -1.305  -3.238
   96    HN2  NH2  11           H2       ARG  10  14.995  -1.529  -4.874
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1  -0.562   0.234   4.361
    2    H2   SER   1           HT2      SER   1  -0.040  -0.985   3.309
    3    H3   SER   1           HT3      SER   1  -0.561   0.515   2.699
    4    HA   SER   1           HA       SER   1   1.309   1.628   3.455
    5    HB2  SER   1           HB2      SER   1   2.742  -0.453   4.828
    6    HB3  SER   1           HB1      SER   1   2.200   1.102   5.439
    7    HG   SER   1           HG       SER   1   1.145  -0.394   6.642
    8    H    ARG   2           HN       ARG   2   0.809   0.459   1.087
    9    HA   ARG   2           HA       ARG   2   2.702  -1.530   0.334
   10    HB2  ARG   2           HB2      ARG   2   0.490  -0.945  -0.805
   11    HB3  ARG   2           HB1      ARG   2   1.353   0.407  -1.532
   12    HG2  ARG   2           HG2      ARG   2   3.121  -1.459  -2.169
   13    HG3  ARG   2           HG1      ARG   2   1.739  -2.517  -1.962
   14    HD2  ARG   2           HD2      ARG   2   2.031  -1.658  -4.310
   15    HD3  ARG   2           HD1      ARG   2   0.455  -1.332  -3.582
   16    HE   ARG   2           HE       ARG   2   1.004   0.920  -3.441
   17   HH11  ARG   2          HH11      ARG   2   2.383   2.613  -3.554
   18   HH12  ARG   2          HH12      ARG   2   3.988   2.450  -4.187
   19   HH21  ARG   2          HH21      ARG   2   3.669  -0.984  -4.617
   20   HH22  ARG   2          HH22      ARG   2   4.723   0.378  -4.799
   21    H    PHE   3           HN       PHE   3   2.605   2.021   0.029
   22    HA   PHE   3           HA       PHE   3   4.951   2.340  -1.498
   23    HB2  PHE   3           HB2      PHE   3   3.102   4.050  -0.311
   24    HB3  PHE   3           HB1      PHE   3   4.636   4.446   0.476
   25    HD1  PHE   3           HD1      PHE   3   6.714   4.575  -1.031
   26    HD2  PHE   3           HD2      PHE   3   2.698   4.887  -2.517
   27    HE1  PHE   3           HE1      PHE   3   7.568   5.597  -3.109
   28    HE2  PHE   3           HE2      PHE   3   3.564   5.921  -4.601
   29    HZ   PHE   3           HZ       PHE   3   5.993   6.251  -4.885
   30    H    GLU   4           HN       GLU   4   4.482   1.807   1.957
   31    HA   GLU   4           HA       GLU   4   6.997   2.555   2.889
   32    HB2  GLU   4           HB2      GLU   4   4.983   0.502   3.793
   33    HB3  GLU   4           HB1      GLU   4   6.506   0.716   4.639
   34    HG2  GLU   4           HG2      GLU   4   4.830   2.099   5.720
   35    HG3  GLU   4           HG1      GLU   4   5.978   3.148   4.896
   36    H    LEU   5           HN       LEU   5   5.901  -0.464   1.400
   37    HA   LEU   5           HA       LEU   5   8.223  -1.975   1.833
   38    HB2  LEU   5           HB2      LEU   5   6.098  -1.998  -0.307
   39    HB3  LEU   5           HB1      LEU   5   7.414  -3.154  -0.270
   40    HG   LEU   5           HG       LEU   5   6.196  -2.919   2.355
   41   HD11  LEU   5          HD11      LEU   5   4.109  -4.262   1.400
   42   HD12  LEU   5          HD12      LEU   5   4.426  -3.277  -0.028
   43   HD13  LEU   5          HD13      LEU   5   4.086  -2.505   1.522
   44   HD21  LEU   5          HD21      LEU   5   7.635  -4.785   1.184
   45   HD22  LEU   5          HD22      LEU   5   6.075  -5.348   0.582
   46   HD23  LEU   5          HD23      LEU   5   6.373  -5.252   2.320
   47    H    ILE   6           HN       ILE   6   7.225   0.258  -0.696
   48    HA   ILE   6           HA       ILE   6   9.482   0.015  -2.369
   49    HB   ILE   6           HB       ILE   6   7.946   2.581  -2.037
   50   HG12  ILE   6          HG12      ILE   6   6.217   0.887  -1.983
   51   HG13  ILE   6          HG11      ILE   6   6.240   1.577  -3.603
   52   HG21  ILE   6          HG21      ILE   6   9.837   2.340  -3.685
   53   HG22  ILE   6          HG22      ILE   6   8.291   2.727  -4.436
   54   HG23  ILE   6          HG23      ILE   6   8.909   1.076  -4.493
   55   HD11  ILE   6          HD11      ILE   6   7.752  -0.942  -2.867
   56   HD12  ILE   6          HD12      ILE   6   7.432  -0.309  -4.480
   57   HD13  ILE   6          HD13      ILE   6   6.113  -0.958  -3.507
   58    H    VAL   7           HN       VAL   7   8.668   2.089   0.351
   59    HA   VAL   7           HA       VAL   7  11.050   3.660   0.263
   60    HB   VAL   7           HB       VAL   7   9.252   3.130   2.651
   61   HG11  VAL   7          HG11      VAL   7  11.196   4.227   3.414
   62   HG12  VAL   7          HG12      VAL   7  10.054   5.541   3.132
   63   HG13  VAL   7          HG13      VAL   7  11.321   5.203   1.954
   64   HG21  VAL   7          HG21      VAL   7   8.897   5.648   1.198
   65   HG22  VAL   7          HG22      VAL   7   7.674   4.505   1.754
   66   HG23  VAL   7          HG23      VAL   7   8.492   4.250   0.211
   67    H    HIS   8           HN       HIS   8  10.035   0.819   2.143
   68    HA   HIS   8           HA       HIS   8  12.334   0.557   3.723
   69    HB2  HIS   8           HB2      HIS   8  10.209  -0.766   4.005
   70    HB3  HIS   8           HB1      HIS   8  10.699  -1.731   2.609
   71    HD2  HIS   8           HD2      HIS   8  12.927  -0.639   5.741
   72    HE1  HIS   8           HE1      HIS   8  13.183  -4.824   5.220
   73    HE2  HIS   8           HE2      HIS   8  14.017  -2.857   6.596
   74    H    GLN   9           HN       GLN   9  11.527  -0.989   0.623
   75    HA   GLN   9           HA       GLN   9  14.137  -2.094   0.307
   76    HB2  GLN   9           HB2      GLN   9  13.417  -2.778  -1.899
   77    HB3  GLN   9           HB1      GLN   9  12.118  -3.093  -0.748
   78    HG2  GLN   9           HG2      GLN   9  10.784  -1.932  -2.165
   79    HG3  GLN   9           HG1      GLN   9  11.610  -0.495  -1.580
   80   HE21  GLN   9          HE21      GLN   9  14.209  -1.109  -2.853
   81   HE22  GLN   9          HE22      GLN   9  13.971  -0.939  -4.528
   82    H    ARG  10           HN       ARG  10  12.864   1.002  -0.066
   83    HA   ARG  10           HA       ARG  10  13.661   2.950  -0.888
   84    HB2  ARG  10           HB2      ARG  10  16.045   1.357  -0.283
   85    HB3  ARG  10           HB1      ARG  10  16.322   2.602  -1.497
   86    HG2  ARG  10           HG2      ARG  10  16.494   4.031   0.252
   87    HG3  ARG  10           HG1      ARG  10  14.737   3.921   0.310
   88    HD2  ARG  10           HD2      ARG  10  16.667   3.061   2.270
   89    HD3  ARG  10           HD1      ARG  10  14.914   3.139   2.383
   90    HE   ARG  10           HE       ARG  10  14.804   0.850   1.899
   91   HH11  ARG  10          HH11      ARG  10  15.784  -1.187   1.961
   92   HH12  ARG  10          HH12      ARG  10  17.498  -1.330   1.715
   93   HH21  ARG  10          HH21      ARG  10  18.006   2.089   1.368
   94   HH22  ARG  10          HH22      ARG  10  18.759   0.529   1.380
   95    HN1  NH2  11           H1       ARG  10  12.298   1.617  -2.793
   96    HN2  NH2  11           H2       ARG  10  13.076   1.745  -4.299
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1   1.278   1.257   2.557
    2    H2   SER   1           HT2      SER   1   1.316   1.281   4.255
    3    H3   SER   1           HT3      SER   1   0.116   0.390   3.444
    4    HA   SER   1           HA       SER   1   2.735  -0.385   4.192
    5    HB2  SER   1           HB2      SER   1   1.254  -2.423   2.861
    6    HB3  SER   1           HB1      SER   1   1.472  -2.201   4.595
    7    HG   SER   1           HG       SER   1  -0.762  -2.072   3.488
    8    H    ARG   2           HN       ARG   2   0.952  -0.276   1.102
    9    HA   ARG   2           HA       ARG   2   2.849  -1.540  -0.496
   10    HB2  ARG   2           HB2      ARG   2   0.405  -0.510  -0.950
   11    HB3  ARG   2           HB1      ARG   2   1.389   0.749  -1.680
   12    HG2  ARG   2           HG2      ARG   2   2.634  -1.369  -2.749
   13    HG3  ARG   2           HG1      ARG   2   1.076  -2.097  -2.456
   14    HD2  ARG   2           HD2      ARG   2   1.282  -1.050  -4.726
   15    HD3  ARG   2           HD1      ARG   2  -0.065  -0.448  -3.752
   16    HE   ARG   2           HE       ARG   2   0.927   1.615  -3.832
   17   HH11  ARG   2          HH11      ARG   2   2.647   2.973  -3.583
   18   HH12  ARG   2          HH12      ARG   2   4.274   2.449  -3.868
   19   HH21  ARG   2          HH21      ARG   2   3.314  -0.847  -4.421
   20   HH22  ARG   2          HH22      ARG   2   4.655   0.239  -4.301
   21    H    PHE   3           HN       PHE   3   2.511   1.948   0.196
   22    HA   PHE   3           HA       PHE   3   4.764   2.658  -1.415
   23    HB2  PHE   3           HB2      PHE   3   2.746   4.041  -0.043
   24    HB3  PHE   3           HB1      PHE   3   4.281   4.596   0.644
   25    HD1  PHE   3           HD1      PHE   3   2.062   4.875  -2.129
   26    HD2  PHE   3           HD2      PHE   3   6.208   5.053  -1.037
   27    HE1  PHE   3           HE1      PHE   3   2.559   6.090  -4.224
   28    HE2  PHE   3           HE2      PHE   3   6.707   6.275  -3.138
   29    HZ   PHE   3           HZ       PHE   3   4.873   6.770  -4.725
   30    H    GLU   4           HN       GLU   4   4.350   1.935   2.022
   31    HA   GLU   4           HA       GLU   4   6.816   2.835   2.956
   32    HB2  GLU   4           HB2      GLU   4   5.119   0.510   3.874
   33    HB3  GLU   4           HB1      GLU   4   6.438   1.230   4.790
   34    HG2  GLU   4           HG2      GLU   4   4.776   2.535   5.662
   35    HG3  GLU   4           HG1      GLU   4   5.023   3.466   4.186
   36    H    LEU   5           HN       LEU   5   5.958  -0.287   1.445
   37    HA   LEU   5           HA       LEU   5   8.378  -1.609   1.939
   38    HB2  LEU   5           HB2      LEU   5   6.434  -1.815  -0.368
   39    HB3  LEU   5           HB1      LEU   5   7.735  -2.948  -0.058
   40    HG   LEU   5           HG       LEU   5   6.059  -2.418   2.294
   41   HD11  LEU   5          HD11      LEU   5   4.494  -2.366   0.220
   42   HD12  LEU   5          HD12      LEU   5   4.064  -3.418   1.565
   43   HD13  LEU   5          HD13      LEU   5   4.820  -4.095   0.123
   44   HD21  LEU   5          HD21      LEU   5   6.666  -5.052   0.922
   45   HD22  LEU   5          HD22      LEU   5   6.326  -4.765   2.630
   46   HD23  LEU   5          HD23      LEU   5   7.854  -4.227   1.935
   47    H    ILE   6           HN       ILE   6   7.345   0.592  -0.594
   48    HA   ILE   6           HA       ILE   6   9.558   0.381  -2.306
   49    HB   ILE   6           HB       ILE   6   8.072   2.960  -1.838
   50   HG12  ILE   6          HG12      ILE   6   6.307   1.337  -1.854
   51   HG13  ILE   6          HG11      ILE   6   6.375   2.015  -3.478
   52   HG21  ILE   6          HG21      ILE   6   9.823   3.026  -3.515
   53   HG22  ILE   6          HG22      ILE   6   8.270   3.020  -4.350
   54   HG23  ILE   6          HG23      ILE   6   9.226   1.543  -4.260
   55   HD11  ILE   6          HD11      ILE   6   8.145  -0.040  -3.712
   56   HD12  ILE   6          HD12      ILE   6   6.436  -0.153  -4.130
   57   HD13  ILE   6          HD13      ILE   6   6.995  -0.713  -2.555
   58    H    VAL   7           HN       VAL   7   8.901   2.678   0.311
   59    HA   VAL   7           HA       VAL   7  11.501   3.879   0.102
   60    HB   VAL   7           HB       VAL   7  10.828   5.028   2.238
   61   HG11  VAL   7          HG11      VAL   7   8.890   5.072  -0.102
   62   HG12  VAL   7          HG12      VAL   7  10.355   6.041   0.055
   63   HG13  VAL   7          HG13      VAL   7   8.992   6.322   1.139
   64   HG21  VAL   7          HG21      VAL   7   9.341   3.199   3.069
   65   HG22  VAL   7          HG22      VAL   7   8.223   3.558   1.753
   66   HG23  VAL   7          HG23      VAL   7   8.525   4.761   3.004
   67    H    HIS   8           HN       HIS   8  10.039   1.449   2.208
   68    HA   HIS   8           HA       HIS   8  12.217   1.340   4.038
   69    HB2  HIS   8           HB2      HIS   8   9.841   0.627   4.488
   70    HB3  HIS   8           HB1      HIS   8  10.183  -0.826   3.546
   71    HD2  HIS   8           HD2      HIS   8  11.475  -2.823   4.977
   72    HE1  HIS   8           HE1      HIS   8  12.554  -0.501   8.337
   73    HE2  HIS   8           HE2      HIS   8  12.559  -2.844   7.355
   74    H    GLN   9           HN       GLN   9  11.431  -0.565   1.131
   75    HA   GLN   9           HA       GLN   9  13.132  -2.714   1.512
   76    HB2  GLN   9           HB2      GLN   9  13.204  -2.961  -0.919
   77    HB3  GLN   9           HB1      GLN   9  11.578  -2.520  -0.397
   78    HG2  GLN   9           HG2      GLN   9  12.211  -0.106  -0.873
   79    HG3  GLN   9           HG1      GLN   9  13.673  -0.716  -1.640
   80   HE21  GLN   9          HE21      GLN   9  10.219  -1.748  -1.705
   81   HE22  GLN   9          HE22      GLN   9  10.111  -1.782  -3.401
   82    H    ARG  10           HN       ARG  10  14.021   0.576   0.619
   83    HA   ARG  10           HA       ARG  10  16.595   0.106  -0.375
   84    HB2  ARG  10           HB2      ARG  10  15.348   2.414   1.084
   85    HB3  ARG  10           HB1      ARG  10  17.082   2.417   0.756
   86    HG2  ARG  10           HG2      ARG  10  16.460   3.317  -1.247
   87    HG3  ARG  10           HG1      ARG  10  16.107   1.644  -1.681
   88    HD2  ARG  10           HD2      ARG  10  14.240   3.375  -2.086
   89    HD3  ARG  10           HD1      ARG  10  13.801   1.895  -1.248
   90    HE   ARG  10           HE       ARG  10  13.606   3.114   0.784
   91   HH11  ARG  10          HH11      ARG  10  13.133   5.047   1.793
   92   HH12  ARG  10          HH12      ARG  10  13.375   6.556   0.980
   93   HH21  ARG  10          HH21      ARG  10  14.584   5.074  -1.918
   94   HH22  ARG  10          HH22      ARG  10  14.205   6.569  -1.131
   95    HN1  NH2  11           H1       ARG  10  15.404  -0.189   2.899
   96    HN2  NH2  11           H2       ARG  10  16.911  -0.492   3.622
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1   2.353   2.811   3.033
    2    H2   SER   1           HT2      SER   1   1.863   2.856   4.653
    3    H3   SER   1           HT3      SER   1   0.708   2.997   3.409
    4    HA   SER   1           HA       SER   1   1.871   0.655   4.575
    5    HB2  SER   1           HB2      SER   1  -0.307   0.106   2.859
    6    HB3  SER   1           HB1      SER   1  -0.347   0.280   4.609
    7    HG   SER   1           HG       SER   1  -1.760   1.763   3.606
    8    H    ARG   2           HN       ARG   2   0.693   1.242   1.263
    9    HA   ARG   2           HA       ARG   2   2.129  -0.870   0.083
   10    HB2  ARG   2           HB2      ARG   2   0.137   0.453  -0.846
   11    HB3  ARG   2           HB1      ARG   2   1.323   1.647  -1.362
   12    HG2  ARG   2           HG2      ARG   2   2.561  -0.378  -2.433
   13    HG3  ARG   2           HG1      ARG   2   1.018  -1.187  -2.281
   14    HD2  ARG   2           HD2      ARG   2   1.233  -0.101  -4.486
   15    HD3  ARG   2           HD1      ARG   2  -0.094   0.580  -3.542
   16    HE   ARG   2           HE       ARG   2   1.167   2.528  -3.202
   17   HH11  ARG   2          HH11      ARG   2   3.007   3.708  -3.406
   18   HH12  ARG   2          HH12      ARG   2   4.313   3.201  -4.423
   19   HH21  ARG   2          HH21      ARG   2   2.801   0.160  -5.167
   20   HH22  ARG   2          HH22      ARG   2   4.202   1.146  -5.417
   21    H    PHE   3           HN       PHE   3   2.841   2.605   0.217
   22    HA   PHE   3           HA       PHE   3   5.150   2.607  -1.348
   23    HB2  PHE   3           HB2      PHE   3   3.873   4.420   0.575
   24    HB3  PHE   3           HB1      PHE   3   5.623   4.621   0.429
   25    HD1  PHE   3           HD1      PHE   3   6.645   4.700  -1.896
   26    HD2  PHE   3           HD2      PHE   3   2.446   5.200  -1.142
   27    HE1  PHE   3           HE1      PHE   3   6.367   5.690  -4.144
   28    HE2  PHE   3           HE2      PHE   3   2.165   6.197  -3.394
   29    HZ   PHE   3           HZ       PHE   3   4.131   6.416  -4.885
   30    H    GLU   4           HN       GLU   4   4.800   2.079   2.161
   31    HA   GLU   4           HA       GLU   4   7.487   2.141   2.857
   32    HB2  GLU   4           HB2      GLU   4   5.172   0.568   3.991
   33    HB3  GLU   4           HB1      GLU   4   6.759   0.632   4.742
   34    HG2  GLU   4           HG2      GLU   4   5.817   2.431   5.824
   35    HG3  GLU   4           HG1      GLU   4   6.392   3.263   4.384
   36    H    LEU   5           HN       LEU   5   5.579  -0.534   1.511
   37    HA   LEU   5           HA       LEU   5   7.485  -2.561   1.866
   38    HB2  LEU   5           HB2      LEU   5   5.285  -2.071  -0.133
   39    HB3  LEU   5           HB1      LEU   5   6.318  -3.485  -0.233
   40    HG   LEU   5           HG       LEU   5   5.373  -3.030   2.488
   41   HD11  LEU   5          HD11      LEU   5   3.483  -2.567   0.394
   42   HD12  LEU   5          HD12      LEU   5   3.197  -2.632   2.132
   43   HD13  LEU   5          HD13      LEU   5   3.082  -4.101   1.165
   44   HD21  LEU   5          HD21      LEU   5   4.674  -5.421   0.813
   45   HD22  LEU   5          HD22      LEU   5   5.172  -5.344   2.503
   46   HD23  LEU   5          HD23      LEU   5   6.366  -5.139   1.223
   47    H    ILE   6           HN       ILE   6   7.123   0.004  -0.478
   48    HA   ILE   6           HA       ILE   6   9.233  -0.922  -2.198
   49    HB   ILE   6           HB       ILE   6   8.085   1.872  -2.121
   50   HG12  ILE   6          HG12      ILE   6   6.135   0.450  -2.156
   51   HG13  ILE   6          HG11      ILE   6   6.413   0.950  -3.825
   52   HG21  ILE   6          HG21      ILE   6   8.792   0.288  -4.576
   53   HG22  ILE   6          HG22      ILE   6  10.088   0.998  -3.613
   54   HG23  ILE   6          HG23      ILE   6   8.847   2.032  -4.317
   55   HD11  ILE   6          HD11      ILE   6   7.886  -1.244  -3.894
   56   HD12  ILE   6          HD12      ILE   6   6.137  -1.335  -4.113
   57   HD13  ILE   6          HD13      ILE   6   6.853  -1.719  -2.548
   58    H    VAL   7           HN       VAL   7   8.705   1.654   0.147
   59    HA   VAL   7           HA       VAL   7  11.263   2.821   0.082
   60    HB   VAL   7           HB       VAL   7   9.480   2.582   2.524
   61   HG11  VAL   7          HG11      VAL   7  10.485   4.860   2.967
   62   HG12  VAL   7          HG12      VAL   7  11.584   4.568   1.619
   63   HG13  VAL   7          HG13      VAL   7  11.640   3.529   3.045
   64   HG21  VAL   7          HG21      VAL   7   7.964   3.953   1.538
   65   HG22  VAL   7          HG22      VAL   7   8.792   3.656   0.009
   66   HG23  VAL   7          HG23      VAL   7   9.232   5.048   0.995
   67    H    HIS   8           HN       HIS   8  10.156  -0.164   1.349
   68    HA   HIS   8           HA       HIS   8  11.834  -0.746   3.441
   69    HB2  HIS   8           HB2      HIS   8  10.041  -2.227   2.447
   70    HB3  HIS   8           HB1      HIS   8  11.192  -2.680   1.195
   71    HD2  HIS   8           HD2      HIS   8  13.159  -4.523   2.021
   72    HE1  HIS   8           HE1      HIS   8  11.899  -4.788   6.043
   73    HE2  HIS   8           HE2      HIS   8  13.442  -5.788   4.285
   74    H    GLN   9           HN       GLN   9  12.657  -0.409   0.061
   75    HA   GLN   9           HA       GLN   9  15.175  -1.721   0.205
   76    HB2  GLN   9           HB2      GLN   9  15.649  -0.589  -1.932
   77    HB3  GLN   9           HB1      GLN   9  14.066  -1.365  -1.935
   78    HG2  GLN   9           HG2      GLN   9  13.399   0.678  -2.738
   79    HG3  GLN   9           HG1      GLN   9  13.353   1.083  -1.024
   80   HE21  GLN   9          HE21      GLN   9  16.022   0.798  -3.451
   81   HE22  GLN   9          HE22      GLN   9  16.689   2.318  -3.093
   82    H    ARG  10           HN       ARG  10  14.016   1.386   1.114
   83    HA   ARG  10           HA       ARG  10  14.974   3.246   2.020
   84    HB2  ARG  10           HB2      ARG  10  16.658   0.991   2.984
   85    HB3  ARG  10           HB1      ARG  10  17.237   2.630   3.265
   86    HG2  ARG  10           HG2      ARG  10  15.920   2.430   5.144
   87    HG3  ARG  10           HG1      ARG  10  14.673   2.970   4.025
   88    HD2  ARG  10           HD2      ARG  10  14.064   0.920   5.398
   89    HD3  ARG  10           HD1      ARG  10  13.904   0.734   3.656
   90    HE   ARG  10           HE       ARG  10  15.628  -0.826   3.706
   91   HH11  ARG  10          HH11      ARG  10  17.254  -2.053   4.743
   92   HH12  ARG  10          HH12      ARG  10  17.717  -1.671   6.369
   93   HH21  ARG  10          HH21      ARG  10  15.435   0.940   6.684
   94   HH22  ARG  10          HH22      ARG  10  16.680   0.027   7.468
   95    HN1  NH2  11           H1       ARG  10  17.813   1.417   0.720
   96    HN2  NH2  11           H2       ARG  10  18.420   2.746  -0.152
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1  -0.331  -0.117   3.880
    2    H2   SER   1           HT2      SER   1   0.647  -1.137   4.824
    3    H3   SER   1           HT3      SER   1   0.552  -1.366   3.148
    4    HA   SER   1           HA       SER   1   1.347   1.279   3.687
    5    HB2  SER   1           HB2      SER   1   3.522  -0.441   4.615
    6    HB3  SER   1           HB1      SER   1   2.895   1.051   5.309
    7    HG   SER   1           HG       SER   1   2.494  -1.460   6.111
    8    H    ARG   2           HN       ARG   2   0.759   0.347   1.382
    9    HA   ARG   2           HA       ARG   2   2.517  -1.305  -0.030
   10    HB2  ARG   2           HB2      ARG   2   0.223  -0.397  -0.751
   11    HB3  ARG   2           HB1      ARG   2   1.090   1.049  -1.261
   12    HG2  ARG   2           HG2      ARG   2   2.641  -0.578  -2.548
   13    HG3  ARG   2           HG1      ARG   2   1.354  -1.741  -2.316
   14    HD2  ARG   2           HD2      ARG   2   1.109  -0.553  -4.463
   15    HD3  ARG   2           HD1      ARG   2  -0.256  -0.250  -3.383
   16    HE   ARG   2           HE       ARG   2   0.445   1.951  -3.156
   17   HH11  ARG   2          HH11      ARG   2   1.906   3.572  -3.332
   18   HH12  ARG   2          HH12      ARG   2   3.400   3.378  -4.190
   19   HH21  ARG   2          HH21      ARG   2   2.787   0.030  -4.837
   20   HH22  ARG   2          HH22      ARG   2   3.897   1.340  -5.042
   21    H    PHE   3           HN       PHE   3   2.523   2.284   0.136
   22    HA   PHE   3           HA       PHE   3   4.822   2.596  -1.482
   23    HB2  PHE   3           HB2      PHE   3   3.072   4.297  -0.076
   24    HB3  PHE   3           HB1      PHE   3   4.711   4.686   0.472
   25    HD1  PHE   3           HD1      PHE   3   2.342   5.229  -2.101
   26    HD2  PHE   3           HD2      PHE   3   6.547   4.657  -1.413
   27    HE1  PHE   3           HE1      PHE   3   2.853   6.228  -4.312
   28    HE2  PHE   3           HE2      PHE   3   7.053   5.673  -3.607
   29    HZ   PHE   3           HZ       PHE   3   5.204   6.437  -5.049
   30    H    GLU   4           HN       GLU   4   4.441   2.062   1.979
   31    HA   GLU   4           HA       GLU   4   7.036   2.647   2.812
   32    HB2  GLU   4           HB2      GLU   4   4.938   0.733   3.820
   33    HB3  GLU   4           HB1      GLU   4   6.487   0.926   4.627
   34    HG2  GLU   4           HG2      GLU   4   5.272   2.530   5.754
   35    HG3  GLU   4           HG1      GLU   4   5.897   3.511   4.436
   36    H    LEU   5           HN       LEU   5   5.662  -0.344   1.453
   37    HA   LEU   5           HA       LEU   5   7.889  -2.007   1.814
   38    HB2  LEU   5           HB2      LEU   5   5.673  -1.897  -0.232
   39    HB3  LEU   5           HB1      LEU   5   6.938  -3.107  -0.319
   40    HG   LEU   5           HG       LEU   5   5.841  -2.859   2.378
   41   HD11  LEU   5          HD11      LEU   5   4.035  -3.443   0.037
   42   HD12  LEU   5          HD12      LEU   5   3.752  -2.362   1.397
   43   HD13  LEU   5          HD13      LEU   5   3.703  -4.107   1.637
   44   HD21  LEU   5          HD21      LEU   5   6.075  -5.170   2.365
   45   HD22  LEU   5          HD22      LEU   5   7.262  -4.730   1.138
   46   HD23  LEU   5          HD23      LEU   5   5.669  -5.311   0.656
   47    H    ILE   6           HN       ILE   6   7.037   0.296  -0.728
   48    HA   ILE   6           HA       ILE   6   9.231  -0.224  -2.434
   49    HB   ILE   6           HB       ILE   6   7.858   2.448  -2.125
   50   HG12  ILE   6          HG12      ILE   6   6.021   0.940  -2.246
   51   HG13  ILE   6          HG11      ILE   6   6.265   1.478  -3.904
   52   HG21  ILE   6          HG21      ILE   6   8.141   2.154  -4.738
   53   HG22  ILE   6          HG22      ILE   6   9.381   0.990  -4.269
   54   HG23  ILE   6          HG23      ILE   6   9.509   2.675  -3.760
   55   HD11  ILE   6          HD11      ILE   6   6.144  -0.812  -4.224
   56   HD12  ILE   6          HD12      ILE   6   6.874  -1.174  -2.661
   57   HD13  ILE   6          HD13      ILE   6   7.882  -0.620  -4.000
   58    H    VAL   7           HN       VAL   7   8.718   2.007   0.233
   59    HA   VAL   7           HA       VAL   7  11.292   3.265  -0.036
   60    HB   VAL   7           HB       VAL   7   9.610   3.261   2.466
   61   HG11  VAL   7          HG11      VAL   7  11.694   5.025   1.218
   62   HG12  VAL   7          HG12      VAL   7  11.561   4.462   2.884
   63   HG13  VAL   7          HG13      VAL   7  10.494   5.738   2.295
   64   HG21  VAL   7          HG21      VAL   7   8.860   4.183  -0.194
   65   HG22  VAL   7          HG22      VAL   7   8.935   5.526   0.945
   66   HG23  VAL   7          HG23      VAL   7   7.900   4.143   1.283
   67    H    HIS   8           HN       HIS   8   9.937   0.665   1.909
   68    HA   HIS   8           HA       HIS   8  11.840   0.272   3.849
   69    HB2  HIS   8           HB2      HIS   8   9.654  -0.992   3.394
   70    HB3  HIS   8           HB1      HIS   8  10.622  -2.034   2.352
   71    HD2  HIS   8           HD2      HIS   8  12.946  -3.210   3.866
   72    HE1  HIS   8           HE1      HIS   8  10.793  -3.068   7.500
   73    HE2  HIS   8           HE2      HIS   8  12.825  -4.059   6.337
   74    H    GLN   9           HN       GLN   9  12.180  -0.435   0.428
   75    HA   GLN   9           HA       GLN   9  14.209  -2.334   0.460
   76    HB2  GLN   9           HB2      GLN   9  14.927  -1.348  -1.727
   77    HB3  GLN   9           HB1      GLN   9  13.200  -1.681  -1.630
   78    HG2  GLN   9           HG2      GLN   9  13.017   0.460  -2.399
   79    HG3  GLN   9           HG1      GLN   9  13.238   0.875  -0.697
   80   HE21  GLN   9          HE21      GLN   9  15.497  -0.130  -3.338
   81   HE22  GLN   9          HE22      GLN   9  16.573   1.157  -3.095
   82    H    ARG  10           HN       ARG  10  14.452   1.174   0.920
   83    HA   ARG  10           HA       ARG  10  16.253   2.530   1.420
   84    HB2  ARG  10           HB2      ARG  10  16.336   0.179   3.237
   85    HB3  ARG  10           HB1      ARG  10  17.760   1.219   3.230
   86    HG2  ARG  10           HG2      ARG  10  16.504   2.352   4.802
   87    HG3  ARG  10           HG1      ARG  10  15.877   3.122   3.348
   88    HD2  ARG  10           HD2      ARG  10  14.087   2.332   4.924
   89    HD3  ARG  10           HD1      ARG  10  13.968   1.669   3.302
   90    HE   ARG  10           HE       ARG  10  14.418  -0.454   4.168
   91   HH11  ARG  10          HH11      ARG  10  14.738  -1.881   5.907
   92   HH12  ARG  10          HH12      ARG  10  15.169  -1.274   7.473
   93   HH21  ARG  10          HH21      ARG  10  15.179   2.060   6.442
   94   HH22  ARG  10          HH22      ARG  10  15.416   0.981   7.777
   95    HN1  NH2  11           H1       ARG  10  18.490  -0.043   2.116
   96    HN2  NH2  11           H2       ARG  10  19.414   0.110   0.701
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1   0.507   0.454   5.253
    2    H2   SER   1           HT2      SER   1   2.204   0.534   5.206
    3    H3   SER   1           HT3      SER   1   1.384  -0.730   4.421
    4    HA   SER   1           HA       SER   1   0.252   1.112   3.085
    5    HB2  SER   1           HB2      SER   1   1.991   2.606   4.772
    6    HB3  SER   1           HB1      SER   1   2.605   2.731   3.130
    7    HG   SER   1           HG       SER   1   0.727   4.148   4.070
    8    H    ARG   2           HN       ARG   2   0.721   0.705   0.987
    9    HA   ARG   2           HA       ARG   2   2.588  -1.255   0.275
   10    HB2  ARG   2           HB2      ARG   2   0.505  -0.431  -0.991
   11    HB3  ARG   2           HB1      ARG   2   1.562   0.815  -1.645
   12    HG2  ARG   2           HG2      ARG   2   3.142  -1.257  -2.171
   13    HG3  ARG   2           HG1      ARG   2   1.630  -2.131  -2.089
   14    HD2  ARG   2           HD2      ARG   2   2.163  -1.355  -4.398
   15    HD3  ARG   2           HD1      ARG   2   0.635  -0.720  -3.780
   16    HE   ARG   2           HE       ARG   2   1.637   1.391  -3.510
   17   HH11  ARG   2          HH11      ARG   2   3.316   2.765  -3.606
   18   HH12  ARG   2          HH12      ARG   2   4.831   2.316  -4.325
   19   HH21  ARG   2          HH21      ARG   2   3.795  -0.972  -4.879
   20   HH22  ARG   2          HH22      ARG   2   5.106   0.147  -5.051
   21    H    PHE   3           HN       PHE   3   2.757   2.272   0.146
   22    HA   PHE   3           HA       PHE   3   5.132   2.585  -1.307
   23    HB2  PHE   3           HB2      PHE   3   3.392   4.243   0.156
   24    HB3  PHE   3           HB1      PHE   3   5.001   4.507   0.830
   25    HD1  PHE   3           HD1      PHE   3   6.956   4.719  -0.878
   26    HD2  PHE   3           HD2      PHE   3   2.812   5.273  -1.857
   27    HE1  PHE   3           HE1      PHE   3   7.605   5.954  -2.926
   28    HE2  PHE   3           HE2      PHE   3   3.461   6.517  -3.897
   29    HZ   PHE   3           HZ       PHE   3   5.851   6.835  -4.423
   30    H    GLU   4           HN       GLU   4   4.609   1.769   2.105
   31    HA   GLU   4           HA       GLU   4   7.198   2.197   3.066
   32    HB2  GLU   4           HB2      GLU   4   5.131   0.147   3.890
   33    HB3  GLU   4           HB1      GLU   4   6.570   0.551   4.809
   34    HG2  GLU   4           HG2      GLU   4   5.850   2.844   5.090
   35    HG3  GLU   4           HG1      GLU   4   4.481   2.584   4.012
   36    H    LEU   5           HN       LEU   5   5.751  -0.665   1.523
   37    HA   LEU   5           HA       LEU   5   7.899  -2.418   1.839
   38    HB2  LEU   5           HB2      LEU   5   5.856  -2.169  -0.376
   39    HB3  LEU   5           HB1      LEU   5   6.933  -3.537  -0.166
   40    HG   LEU   5           HG       LEU   5   5.508  -2.813   2.298
   41   HD11  LEU   5          HD11      LEU   5   3.997  -2.699  -0.066
   42   HD12  LEU   5          HD12      LEU   5   3.376  -2.845   1.578
   43   HD13  LEU   5          HD13      LEU   5   3.664  -4.293   0.613
   44   HD21  LEU   5          HD21      LEU   5   5.640  -5.401   0.727
   45   HD22  LEU   5          HD22      LEU   5   5.205  -5.215   2.424
   46   HD23  LEU   5          HD23      LEU   5   6.858  -4.897   1.903
   47    H    ILE   6           HN       ILE   6   7.194   0.073  -0.514
   48    HA   ILE   6           HA       ILE   6   9.401  -0.456  -2.232
   49    HB   ILE   6           HB       ILE   6   8.072   2.228  -1.876
   50   HG12  ILE   6          HG12      ILE   6   6.208   0.713  -1.977
   51   HG13  ILE   6          HG11      ILE   6   6.405   1.384  -3.598
   52   HG21  ILE   6          HG21      ILE   6   8.315   1.823  -4.531
   53   HG22  ILE   6          HG22      ILE   6   9.646   0.812  -3.972
   54   HG23  ILE   6          HG23      ILE   6   9.605   2.528  -3.562
   55   HD11  ILE   6          HD11      ILE   6   6.082  -1.045  -3.732
   56   HD12  ILE   6          HD12      ILE   6   7.443  -1.305  -2.647
   57   HD13  ILE   6          HD13      ILE   6   7.712  -0.620  -4.250
   58    H    VAL   7           HN       VAL   7   8.745   1.961   0.268
   59    HA   VAL   7           HA       VAL   7  11.295   3.168   0.266
   60    HB   VAL   7           HB       VAL   7   9.435   2.878   2.645
   61   HG11  VAL   7          HG11      VAL   7  11.497   4.978   1.882
   62   HG12  VAL   7          HG12      VAL   7  11.679   3.775   3.159
   63   HG13  VAL   7          HG13      VAL   7  10.453   5.031   3.302
   64   HG21  VAL   7          HG21      VAL   7   8.912   4.060   0.121
   65   HG22  VAL   7          HG22      VAL   7   9.240   5.392   1.228
   66   HG23  VAL   7          HG23      VAL   7   7.964   4.231   1.599
   67    H    HIS   8           HN       HIS   8  10.013   0.319   1.860
   68    HA   HIS   8           HA       HIS   8  11.967  -0.221   3.739
   69    HB2  HIS   8           HB2      HIS   8   9.794  -1.510   3.110
   70    HB3  HIS   8           HB1      HIS   8  10.833  -2.398   2.009
   71    HD2  HIS   8           HD2      HIS   8   9.528  -3.497   5.061
   72    HE1  HIS   8           HE1      HIS   8  13.644  -3.953   5.876
   73    HE2  HIS   8           HE2      HIS   8  11.305  -4.615   6.610
   74    H    GLN   9           HN       GLN   9  12.222  -0.277   0.268
   75    HA   GLN   9           HA       GLN   9  14.458  -2.025   0.110
   76    HB2  GLN   9           HB2      GLN   9  14.457  -1.559  -2.136
   77    HB3  GLN   9           HB1      GLN   9  12.835  -0.985  -1.754
   78    HG2  GLN   9           HG2      GLN   9  13.769   1.318  -1.453
   79    HG3  GLN   9           HG1      GLN   9  15.349   0.716  -1.961
   80   HE21  GLN   9          HE21      GLN   9  15.581   0.046  -4.228
   81   HE22  GLN   9          HE22      GLN   9  14.445   0.528  -5.395
   82    H    ARG  10           HN       ARG  10  14.030   1.253   1.115
   83    HA   ARG  10           HA       ARG  10  15.494   2.950   1.621
   84    HB2  ARG  10           HB2      ARG  10  16.509   0.442   2.801
   85    HB3  ARG  10           HB1      ARG  10  17.662   1.767   2.751
   86    HG2  ARG  10           HG2      ARG  10  16.634   2.358   4.715
   87    HG3  ARG  10           HG1      ARG  10  15.501   3.125   3.600
   88    HD2  ARG  10           HD2      ARG  10  14.694   1.422   5.521
   89    HD3  ARG  10           HD1      ARG  10  13.842   1.614   3.998
   90    HE   ARG  10           HE       ARG  10  14.535  -0.529   3.384
   91   HH11  ARG  10          HH11      ARG  10  15.381  -2.575   3.893
   92   HH12  ARG  10          HH12      ARG  10  16.477  -2.753   5.226
   93   HH21  ARG  10          HH21      ARG  10  16.345   0.626   6.095
   94   HH22  ARG  10          HH22      ARG  10  17.017  -0.921   6.489
   95    HN1  NH2  11           H1       ARG  10  18.413   1.121   1.282
   96    HN2  NH2  11           H2       ARG  10  18.889   1.784  -0.203