*HEADER    TOXIN                                   21-JUN-18   6DUL              
*TITLE     THREE-DIMENSIONAL STRUCTURES FOR MASTOPARANO-L                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MASTOPARANO-L;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: THIS PEPTIDE IS A POTENT STIMULATOR OF EXOCYTOSIS OF  
*COMPND   6 VARIOUS MAMMALIAN CELLS.                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: VESPULA LEWISII;                                
*SOURCE   4 ORGANISM_TAXID: 7452                                                 
*KEYWDS    THREE-DIMENSIONAL STRUCTURE; SDS MICELLES, PAM., TOXIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.F.ALVES,L.V.RODRIGUEZ,L.M.LIAO                                    
*REVDAT   1   26-JUN-19 6DUL    0                                                
# Restraints file 1: restraints_IR_SQ_MR.tbl
! On my watch it's Fri Mar 23 12:03:23 2018.
!
ASSI  (RESI     1 AND NAME HG12)
      (RESI     1 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI     1 AND NAME  HT#)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD22)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD21)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD22)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD21)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD22)
      (RESI     2 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME   HN)      5.000 3.200 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 HD##)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     3 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME HD##)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HG)
      (RESI     3 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     3 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     3 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HG)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME HD##)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     3 AND NAME   HN)      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  HE#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     4 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HZ#)
      (RESI     4 AND NAME  HE2)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME  HD1)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     4 AND NAME  HE2)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME  HE#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HE#)
      (RESI     4 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HE#)
      (RESI     4 AND NAME  HZ#)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     4 AND NAME  HB2)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HG2)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HD2)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HG)
      (RESI     6 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME HD##)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     6 AND NAME   HG)      3.400 1.600 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)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME   HG)
      (RESI     6 AND NAME   HN)      3.400 1.600 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#)      2.800 1.000 0.000
ASSI  (RESI     7 AND NAME  HB#)
      (RESI     7 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME  HB#)
      (RESI     8 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME   HG)      2.800 1.000 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI     9 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME HD1#)
      (RESI     9 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME HD1#)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME   HA)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    11 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    11 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    11 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    11 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HZ#)
      (RESI    11 AND NAME  HE#)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    11 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME  HB2)
      (RESI    11 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME  HG#)
      (RESI    11 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    11 AND NAME  HE#)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HE#)
      (RESI    11 AND NAME  HG2)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME  HB2)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME  HE#)
      (RESI    11 AND NAME  HZ#)      2.800 1.000 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HG#)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HB2)
      (RESI    11 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    12 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    12 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    12 AND NAME  HD2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HZ#)
      (RESI    12 AND NAME  HE#)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HE#)
      (RESI    12 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB#)
      (RESI    12 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME  HG#)
      (RESI    12 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HD2)
      (RESI    12 AND NAME  HE#)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME  HG#)
      (RESI    12 AND NAME  HE#)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HB#)
      (RESI    12 AND NAME  HE#)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HE#)
      (RESI    12 AND NAME  HD2)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME  HE#)
      (RESI    12 AND NAME  HG#)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HE#)
      (RESI    12 AND NAME  HZ#)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME  HB#)
      (RESI    12 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    12 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME  HD#)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HG#)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HD2)
      (RESI    12 AND NAME  HZ#)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB2)
      (RESI    12 AND NAME  HZ#)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    13 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    13 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    13 AND NAME HG12)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    13 AND NAME HG1#)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    13 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HB)
      (RESI    13 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME HG12)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME HD1#)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HB)
      (RESI    13 AND NAME HG2#)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME HD##)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME HG2#)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    13 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HB)
      (RESI    13 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI    13 AND NAME HG1#)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME HG2#)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    14 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    14 AND NAME  HB2)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    14 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB2)
      (RESI    14 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME HD2#)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HB2)
      (RESI    14 AND NAME HD2#)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    14 AND NAME   HN)      2.800 1.000 0.000
! On my watch it's Fri Mar 23 12:03:23 2018.
!
ASSI  (RESI     1 AND NAME HG12)
      (RESI     2 AND NAME  HB#)      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 HD22)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD21)
      (RESI     1 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD22)
      (RESI     1 AND NAME HG12)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME HD22)
      (RESI     1 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     1 AND NAME HG12)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     2 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB2)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HG)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME HD##)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     5 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB2)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME   HN)      3.400 1.600 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  HB#)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME  HB#)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HG)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HA)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME HD##)      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   HA)
      (RESI     8 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     7 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     9 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI    10 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HG)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME  HB#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HD2#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HD1#)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    12 AND NAME  HD1)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    12 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HB2)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    11 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    11 AND NAME  HB2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    11 AND NAME  HG2)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    13 AND NAME HG12)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HB#)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HD2)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME  HD1)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    14 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    12 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    14 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME HG2#)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HA)
      (RESI    14 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HB)
      (RESI    14 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME HG2#)
      (RESI    14 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    13 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    13 AND NAME   HA)      5.000 3.200 0.000
! On my watch it's Fri Mar 23 12:03:23 2018.
!
ASSI  (RESI     3 AND NAME   HN)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    14 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI     9 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
# Restraints file 2: phiepsi_1.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   -81.987  24.956  2
assign ( resid  2  and name c   )  ( resid  3  and name n  )
       ( resid  3  and name ca  )  ( resid  3  and name c  )  1.0   -61.350  3.708  2
assign ( resid  3  and name c   )  ( resid  4  and name n  )
       ( resid  4  and name ca  )  ( resid  4  and name c  )  1.0   -59.595  4.792  2
assign ( resid  4  and name c   )  ( resid  5  and name n  )
       ( resid  5  and name ca  )  ( resid  5  and name c  )  1.0   -63.924 4.156  2            
assign ( resid  5  and name c   )  ( resid  6  and name n  )
       ( resid  6  and name ca  )  ( resid  6  and name c  )  1.0   -63.458  5.703  2          
assign ( resid  6  and name c   )  ( resid  7  and name n  )
       ( resid  7  and name ca  )  ( resid  7  and name c  )  1.0   -62.957   5.208  2
assign ( resid  7  and name c   )  ( resid  8  and name n  )
       ( resid  8  and name ca  )  ( resid  8  and name c  )  1.0   -64.029   4.167  2
assign ( resid  8  and name c   )  ( resid  9  and name n  )
       ( resid  9  and name ca  )  ( resid  9  and name c  )  1.0   -64.223  4.695  2
assign ( resid   9  and name c  )  ( resid 10  and name n  )
       ( resid 10  and name ca  )  ( resid 10  and name c  )  1.0   -60.986  5.564  2   
assign ( resid 10  and name c   )  ( resid 11  and name n  )             
       ( resid 11  and name ca   )  ( resid 11  and name c  )  1.0   -59.767  6.876  2 
assign ( resid 11  and name c   )  ( resid 12  and name n  )           
       ( resid 12  and name ca   )  ( resid 12  and name c  )  1.0   -68.999  8.951  2 
assign ( resid 12  and name c  )  ( resid 13  and name n  )  
       ( resid 13  and name ca   )  ( resid 13  and name c  )  1.0   -80.440  9.764  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  -137.277    33.971  2
assign ( resid 3  and name n  )  ( resid 3  and name ca  )
       ( resid 3  and name c  )  ( resid 4  and name n  )  1.0  -33.718    9.056  2
assign ( resid 4  and name n  )  ( resid 4  and name ca  )
       ( resid 4  and name c  )  ( resid 5  and name n  ) 1.0   -42.256  4.835  2 
assign ( resid 5  and name n  )  ( resid 5  and name ca  )             
       ( resid 5  and name c  )  ( resid 6  and name n  ) 1.0   -41.425  2.699  2 
assign ( resid 6  and name n  )  ( resid 6  and name ca  )           
       ( resid 6  and name c  )  ( resid 7  and name n  ) 1.0   -40.117  3.040  2 
assign ( resid 7  and name n  )  ( resid 7  and name ca  )  
       ( resid 7  and name c  )  ( resid 8  and name n  ) 1.0   -36.890  11.730  2 
assign ( resid 8  and name n  )  ( resid 8  and name ca  )  
       ( resid 8  and name c  )  ( resid 9  and name n  ) 1.0   -41.696  4.860  2 
assign ( resid 9  and name n  )  ( resid 9  and name ca  )  
       ( resid 9  and name c  )  ( resid 10  and name n  ) 1.0   -42.331  2.965  2 
assign ( resid 10  and name n  )  ( resid 10  and name ca  )  
       ( resid 10  and name c  )  ( resid 11  and name n  )  1.0   -42.934  6.912  2            
assign ( resid 11  and name n  )  ( resid 11  and name ca  )
       ( resid 11  and name c  )  ( resid 12  and name n  )  1.0   -35.453  14.149  2          
assign ( resid 12  and name n  )  ( resid 12  and name ca  )
       ( resid 12  and name c  )  ( resid 13  and name n  )  1.0   -36.486   10.961  2
assign ( resid 13  and name n  )  ( resid 13  and name ca  )
       ( resid 13  and name c  )  ( resid 14  and name n  ) 1.0   -24.618  15.161  2 
!      
!
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           HT1      ILE   1   1.840  -0.042  -1.965
    2    H2   ILE   1           HT2      ILE   1   1.286  -1.640  -2.003
    3    H3   ILE   1           HT3      ILE   1   2.821  -1.288  -1.365
    4    HA   ILE   1           HA       ILE   1   0.168  -0.694  -0.216
    5    HB   ILE   1           HB       ILE   1   1.298  -1.763   1.799
    6   HG12  ILE   1          HG12      ILE   1   3.633  -1.365   0.554
    7   HG13  ILE   1          HG11      ILE   1   3.402  -2.732   1.640
    8   HG21  ILE   1          HG21      ILE   1   0.981  -3.365  -0.756
    9   HG22  ILE   1          HG22      ILE   1  -0.266  -3.027   0.443
   10   HG23  ILE   1          HG23      ILE   1   1.092  -4.076   0.855
   11   HD11  ILE   1          HD11      ILE   1   2.611  -3.195  -1.185
   12   HD12  ILE   1          HD12      ILE   1   3.450  -4.262  -0.059
   13   HD13  ILE   1          HD13      ILE   1   4.338  -2.986  -0.894
   14    H    ASN   2           HN       ASN   2   2.648  -0.477   1.992
   15    HA   ASN   2           HA       ASN   2   2.565   2.465   1.878
   16    HB2  ASN   2           HB2      ASN   2   3.655   1.851   4.314
   17    HB3  ASN   2           HB1      ASN   2   1.946   2.161   4.023
   18   HD21  ASN   2          HD21      ASN   2   0.511   0.281   3.833
   19   HD22  ASN   2          HD22      ASN   2   0.987  -1.232   4.441
   20    H    LEU   3           HN       LEU   3   4.634   3.254   3.268
   21    HA   LEU   3           HA       LEU   3   6.840   3.028   1.516
   22    HB2  LEU   3           HB2      LEU   3   6.724   4.067   4.301
   23    HB3  LEU   3           HB1      LEU   3   8.030   4.356   3.170
   24    HG   LEU   3           HG       LEU   3   6.012   5.194   1.639
   25   HD11  LEU   3          HD11      LEU   3   4.105   4.951   2.920
   26   HD12  LEU   3          HD12      LEU   3   4.588   6.566   3.435
   27   HD13  LEU   3          HD13      LEU   3   4.975   5.170   4.440
   28   HD21  LEU   3          HD21      LEU   3   6.369   7.491   2.904
   29   HD22  LEU   3          HD22      LEU   3   7.690   6.743   2.007
   30   HD23  LEU   3          HD23      LEU   3   7.611   6.577   3.761
   31    H    LYS   4           HN       LYS   4   5.830   1.292   4.310
   32    HA   LYS   4           HA       LYS   4   8.162   0.278   5.330
   33    HB2  LYS   4           HB2      LYS   4   5.555  -1.170   4.868
   34    HB3  LYS   4           HB1      LYS   4   6.786  -1.607   6.054
   35    HG2  LYS   4           HG2      LYS   4   5.937   1.204   6.240
   36    HG3  LYS   4           HG1      LYS   4   4.630   0.056   6.542
   37    HD2  LYS   4           HD2      LYS   4   5.844  -1.006   8.310
   38    HD3  LYS   4           HD1      LYS   4   7.335  -0.164   7.881
   39    HE2  LYS   4           HE2      LYS   4   4.813   1.230   8.815
   40    HE3  LYS   4           HE1      LYS   4   6.163   0.828   9.870
   41    HZ1  LYS   4           HZ1      LYS   4   6.617   2.981   9.236
   42    HZ2  LYS   4           HZ2      LYS   4   6.068   2.759   7.643
   43    HZ3  LYS   4           HZ3      LYS   4   7.548   2.088   8.139
   44    H    ALA   5           HN       ALA   5   6.226  -0.966   2.620
   45    HA   ALA   5           HA       ALA   5   7.959  -3.145   2.024
   46    HB1  ALA   5           HB1      ALA   5   5.645  -3.089   1.219
   47    HB2  ALA   5           HB2      ALA   5   6.762  -3.225  -0.139
   48    HB3  ALA   5           HB3      ALA   5   6.008  -1.674   0.233
   49    H    LEU   6           HN       LEU   6   7.651   0.143   0.712
   50    HA   LEU   6           HA       LEU   6   9.655  -0.052  -1.244
   51    HB2  LEU   6           HB2      LEU   6   8.917   2.415   0.326
   52    HB3  LEU   6           HB1      LEU   6   9.536   2.333  -1.322
   53    HG   LEU   6           HG       LEU   6   6.822   1.397  -0.338
   54   HD11  LEU   6          HD11      LEU   6   7.339   3.882  -0.871
   55   HD12  LEU   6          HD12      LEU   6   5.930   3.152  -1.640
   56   HD13  LEU   6          HD13      LEU   6   7.424   3.358  -2.554
   57   HD21  LEU   6          HD21      LEU   6   6.552   1.000  -2.912
   58   HD22  LEU   6          HD22      LEU   6   7.364  -0.236  -1.950
   59   HD23  LEU   6          HD23      LEU   6   8.311   0.901  -2.913
   60    H    ALA   7           HN       ALA   7   9.696   0.961   2.129
   61    HA   ALA   7           HA       ALA   7  12.419   1.710   2.228
   62    HB1  ALA   7           HB1      ALA   7  11.091   2.481   4.020
   63    HB2  ALA   7           HB2      ALA   7  12.106   1.235   4.747
   64    HB3  ALA   7           HB3      ALA   7  10.430   0.877   4.331
   65    H    ALA   8           HN       ALA   8  10.776  -1.359   2.584
   66    HA   ALA   8           HA       ALA   8  12.863  -2.847   3.732
   67    HB1  ALA   8           HB1      ALA   8  10.854  -3.853   1.706
   68    HB2  ALA   8           HB2      ALA   8  10.509  -3.651   3.423
   69    HB3  ALA   8           HB3      ALA   8  11.726  -4.813   2.899
   70    H    LEU   9           HN       LEU   9  12.033  -2.416   0.299
   71    HA   LEU   9           HA       LEU   9  14.377  -3.803  -0.595
   72    HB2  LEU   9           HB2      LEU   9  13.788  -2.492  -2.807
   73    HB3  LEU   9           HB1      LEU   9  12.801  -3.848  -2.273
   74    HG   LEU   9           HG       LEU   9  11.882  -1.411  -1.024
   75   HD11  LEU   9          HD11      LEU   9  12.641  -0.119  -2.827
   76   HD12  LEU   9          HD12      LEU   9  10.980  -0.501  -3.275
   77   HD13  LEU   9          HD13      LEU   9  12.318  -1.393  -4.002
   78   HD21  LEU   9          HD21      LEU   9   9.778  -2.118  -2.233
   79   HD22  LEU   9          HD22      LEU   9  10.498  -3.377  -1.229
   80   HD23  LEU   9          HD23      LEU   9  10.720  -3.409  -2.976
   81    H    ALA  10           HN       ALA  10  13.456  -0.410  -0.287
   82    HA   ALA  10           HA       ALA  10  15.761   0.791  -1.311
   83    HB1  ALA  10           HB1      ALA  10  15.078   2.767  -0.214
   84    HB2  ALA  10           HB2      ALA  10  14.289   1.877   1.087
   85    HB3  ALA  10           HB3      ALA  10  13.572   1.904  -0.525
   86    H    LYS  11           HN       LYS  11  15.127  -0.607   1.871
   87    HA   LYS  11           HA       LYS  11  17.262   0.356   3.331
   88    HB2  LYS  11           HB2      LYS  11  15.428  -1.817   3.547
   89    HB3  LYS  11           HB1      LYS  11  17.040  -2.414   3.936
   90    HG2  LYS  11           HG2      LYS  11  17.338  -0.731   5.633
   91    HG3  LYS  11           HG1      LYS  11  15.882   0.123   5.122
   92    HD2  LYS  11           HD2      LYS  11  14.543  -1.215   6.356
   93    HD3  LYS  11           HD1      LYS  11  15.332  -2.675   5.758
   94    HE2  LYS  11           HE2      LYS  11  17.290  -1.939   7.353
   95    HE3  LYS  11           HE1      LYS  11  16.032  -0.990   8.148
   96    HZ1  LYS  11           HZ1      LYS  11  14.703  -3.109   8.182
   97    HZ2  LYS  11           HZ2      LYS  11  16.048  -3.065   9.213
   98    HZ3  LYS  11           HZ3      LYS  11  16.127  -3.921   7.748
   99    H    LYS  12           HN       LYS  12  17.222  -2.207   0.927
  100    HA   LYS  12           HA       LYS  12  19.939  -2.987   1.363
  101    HB2  LYS  12           HB2      LYS  12  17.913  -3.549  -0.797
  102    HB3  LYS  12           HB1      LYS  12  19.578  -4.122  -0.916
  103    HG2  LYS  12           HG2      LYS  12  18.498  -5.919   0.134
  104    HG3  LYS  12           HG1      LYS  12  19.181  -5.039   1.501
  105    HD2  LYS  12           HD2      LYS  12  16.995  -5.275   2.246
  106    HD3  LYS  12           HD1      LYS  12  16.847  -3.749   1.382
  107    HE2  LYS  12           HE2      LYS  12  15.036  -5.137   0.652
  108    HE3  LYS  12           HE1      LYS  12  16.197  -5.072  -0.669
  109    HZ1  LYS  12           HZ1      LYS  12  17.028  -7.180   0.843
  110    HZ2  LYS  12           HZ2      LYS  12  16.128  -7.279  -0.600
  111    HZ3  LYS  12           HZ3      LYS  12  15.339  -7.313   0.895
  112    H    ILE  13           HN       ILE  13  18.283  -0.711  -0.718
  113    HA   ILE  13           HA       ILE  13  20.584  -0.132  -2.336
  114    HB   ILE  13           HB       ILE  13  18.173   1.620  -2.043
  115   HG12  ILE  13          HG12      ILE  13  17.485  -0.775  -2.407
  116   HG13  ILE  13          HG11      ILE  13  17.046   0.295  -3.735
  117   HG21  ILE  13          HG21      ILE  13  20.128   1.037  -4.283
  118   HG22  ILE  13          HG22      ILE  13  19.989   2.538  -3.368
  119   HG23  ILE  13          HG23      ILE  13  18.694   2.048  -4.459
  120   HD11  ILE  13          HD11      ILE  13  18.477  -2.081  -3.967
  121   HD12  ILE  13          HD12      ILE  13  19.723  -0.840  -4.072
  122   HD13  ILE  13          HD13      ILE  13  18.365  -0.820  -5.195
  123    H    LEU  14           HN       LEU  14  18.907   1.334   0.398
  124    HA   LEU  14           HA       LEU  14  20.559   3.651   0.553
  125    HB2  LEU  14           HB2      LEU  14  18.482   2.349   2.218
  126    HB3  LEU  14           HB1      LEU  14  19.647   3.335   3.097
  127    HG   LEU  14           HG       LEU  14  17.711   4.683   2.409
  128   HD11  LEU  14          HD12      LEU  14  18.971   6.502   1.855
  129   HD12  LEU  14          HD13      LEU  14  19.792   5.673   0.534
  130   HD13  LEU  14          HD11      LEU  14  20.306   5.405   2.200
  131   HD21  LEU  14          HD22      LEU  14  18.549   4.172  -0.449
  132   HD22  LEU  14          HD23      LEU  14  17.092   4.982   0.125
  133   HD23  LEU  14          HD21      LEU  14  17.277   3.242   0.341
  134    HN1  NH2  15           H1       LEU  14  20.636   0.550   2.381
  Start of MODEL    2
    1    H1   ILE   1           HT1      ILE   1   2.664  -1.390  -4.339
    2    H2   ILE   1           HT2      ILE   1   3.380   0.127  -4.094
    3    H3   ILE   1           HT3      ILE   1   1.738  -0.100  -3.755
    4    HA   ILE   1           HA       ILE   1   2.253  -1.566  -1.932
    5    HB   ILE   1           HB       ILE   1   4.408  -2.316  -1.443
    6   HG12  ILE   1          HG12      ILE   1   5.432  -0.053  -1.377
    7   HG13  ILE   1          HG11      ILE   1   6.477  -1.223  -2.179
    8   HG21  ILE   1          HG21      ILE   1   3.567  -2.999  -3.815
    9   HG22  ILE   1          HG22      ILE   1   5.246  -3.331  -3.392
   10   HG23  ILE   1          HG23      ILE   1   4.852  -1.943  -4.403
   11   HD11  ILE   1          HD11      ILE   1   5.166  -0.360  -4.341
   12   HD12  ILE   1          HD12      ILE   1   6.587   0.485  -3.725
   13   HD13  ILE   1          HD13      ILE   1   4.972   1.079  -3.338
   14    H    ASN   2           HN       ASN   2   3.384  -0.758   0.160
   15    HA   ASN   2           HA       ASN   2   2.989   2.160   0.277
   16    HB2  ASN   2           HB2      ASN   2   2.475   1.868   2.579
   17    HB3  ASN   2           HB1      ASN   2   1.625   0.596   1.705
   18   HD21  ASN   2          HD21      ASN   2   2.845  -1.562   1.567
   19   HD22  ASN   2          HD22      ASN   2   3.779  -2.018   2.910
   20    H    LEU   3           HN       LEU   3   4.255   2.829   2.513
   21    HA   LEU   3           HA       LEU   3   6.902   3.208   1.694
   22    HB2  LEU   3           HB2      LEU   3   5.691   3.525   4.392
   23    HB3  LEU   3           HB1      LEU   3   7.216   4.226   3.881
   24    HG   LEU   3           HG       LEU   3   5.489   5.053   1.892
   25   HD11  LEU   3          HD11      LEU   3   3.366   4.940   2.623
   26   HD12  LEU   3          HD12      LEU   3   3.787   6.089   3.890
   27   HD13  LEU   3          HD13      LEU   3   3.883   4.357   4.204
   28   HD21  LEU   3          HD21      LEU   3   5.502   7.257   3.247
   29   HD22  LEU   3          HD22      LEU   3   7.062   6.564   2.808
   30   HD23  LEU   3          HD23      LEU   3   6.440   6.364   4.446
   31    H    LYS   4           HN       LYS   4   5.413   0.922   3.915
   32    HA   LYS   4           HA       LYS   4   7.657  -0.017   5.206
   33    HB2  LYS   4           HB2      LYS   4   5.153  -1.436   4.328
   34    HB3  LYS   4           HB1      LYS   4   6.365  -2.178   5.365
   35    HG2  LYS   4           HG2      LYS   4   6.077  -0.354   7.011
   36    HG3  LYS   4           HG1      LYS   4   4.844   0.378   5.978
   37    HD2  LYS   4           HD2      LYS   4   3.695  -1.954   6.103
   38    HD3  LYS   4           HD1      LYS   4   4.735  -2.219   7.507
   39    HE2  LYS   4           HE2      LYS   4   3.855  -0.106   8.498
   40    HE3  LYS   4           HE1      LYS   4   2.765   0.056   7.121
   41    HZ1  LYS   4           HZ1      LYS   4   2.585  -2.546   8.229
   42    HZ2  LYS   4           HZ2      LYS   4   1.368  -1.374   8.044
   43    HZ3  LYS   4           HZ3      LYS   4   2.331  -1.380   9.439
   44    H    ALA   5           HN       ALA   5   6.239  -1.126   2.147
   45    HA   ALA   5           HA       ALA   5   8.200  -3.119   1.645
   46    HB1  ALA   5           HB1      ALA   5   7.336  -2.719  -0.804
   47    HB2  ALA   5           HB2      ALA   5   6.117  -1.731   0.000
   48    HB3  ALA   5           HB3      ALA   5   6.269  -3.442   0.400
   49    H    LEU   6           HN       LEU   6   7.816   0.231   0.569
   50    HA   LEU   6           HA       LEU   6  10.037   0.394  -1.139
   51    HB2  LEU   6           HB2      LEU   6   8.419   2.348   0.428
   52    HB3  LEU   6           HB1      LEU   6   9.962   2.889  -0.237
   53    HG   LEU   6           HG       LEU   6   8.675   1.378  -2.263
   54   HD11  LEU   6          HD11      LEU   6   6.681   3.107  -2.427
   55   HD12  LEU   6          HD12      LEU   6   6.857   3.148  -0.673
   56   HD13  LEU   6          HD13      LEU   6   6.511   1.626  -1.491
   57   HD21  LEU   6          HD21      LEU   6   8.914   4.384  -2.000
   58   HD22  LEU   6          HD22      LEU   6   8.882   3.439  -3.490
   59   HD23  LEU   6          HD23      LEU   6  10.270   3.333  -2.408
   60    H    ALA   7           HN       ALA   7   9.672   1.009   2.300
   61    HA   ALA   7           HA       ALA   7  12.353   1.794   2.790
   62    HB1  ALA   7           HB1      ALA   7  11.832   1.669   5.085
   63    HB2  ALA   7           HB2      ALA   7  10.579   0.453   4.822
   64    HB3  ALA   7           HB3      ALA   7  10.316   2.121   4.308
   65    H    ALA   8           HN       ALA   8  10.748  -1.303   2.689
   66    HA   ALA   8           HA       ALA   8  12.792  -2.832   3.908
   67    HB1  ALA   8           HB1      ALA   8  11.112  -4.325   3.773
   68    HB2  ALA   8           HB2      ALA   8  11.496  -4.504   2.062
   69    HB3  ALA   8           HB3      ALA   8  10.271  -3.343   2.573
   70    H    LEU   9           HN       LEU   9  12.028  -2.258   0.489
   71    HA   LEU   9           HA       LEU   9  14.348  -3.673  -0.430
   72    HB2  LEU   9           HB2      LEU   9  13.828  -2.537  -2.632
   73    HB3  LEU   9           HB1      LEU   9  12.521  -3.511  -1.956
   74    HG   LEU   9           HG       LEU   9  11.941  -1.123  -0.810
   75   HD11  LEU   9          HD11      LEU   9  12.715   0.693  -1.944
   76   HD12  LEU   9          HD12      LEU   9  12.511  -0.087  -3.512
   77   HD13  LEU   9          HD13      LEU   9  13.957  -0.399  -2.553
   78   HD21  LEU   9          HD21      LEU   9  11.164  -2.127  -3.567
   79   HD22  LEU   9          HD22      LEU   9  10.310  -0.839  -2.720
   80   HD23  LEU   9          HD23      LEU   9  10.341  -2.470  -2.046
   81    H    ALA  10           HN       ALA  10  13.540  -0.249   0.009
   82    HA   ALA  10           HA       ALA  10  15.843   0.918  -1.020
   83    HB1  ALA  10           HB1      ALA  10  15.368   2.786   0.581
   84    HB2  ALA  10           HB2      ALA  10  14.140   1.772   1.335
   85    HB3  ALA  10           HB3      ALA  10  13.963   2.273  -0.345
   86    H    LYS  11           HN       LYS  11  15.312  -0.534   2.164
   87    HA   LYS  11           HA       LYS  11  17.577   0.333   3.497
   88    HB2  LYS  11           HB2      LYS  11  15.613  -1.638   3.901
   89    HB3  LYS  11           HB1      LYS  11  17.159  -2.481   4.005
   90    HG2  LYS  11           HG2      LYS  11  16.700   0.139   5.450
   91    HG3  LYS  11           HG1      LYS  11  16.242  -1.401   6.178
   92    HD2  LYS  11           HD2      LYS  11  18.472  -2.155   6.273
   93    HD3  LYS  11           HD1      LYS  11  19.008  -1.009   5.047
   94    HE2  LYS  11           HE2      LYS  11  19.783  -0.230   7.207
   95    HE3  LYS  11           HE1      LYS  11  18.512   0.855   6.639
   96    HZ1  LYS  11           HZ1      LYS  11  18.113   0.330   8.910
   97    HZ2  LYS  11           HZ2      LYS  11  18.241  -1.335   8.626
   98    HZ3  LYS  11           HZ3      LYS  11  16.929  -0.456   7.989
   99    H    LYS  12           HN       LYS  12  17.243  -2.150   1.040
  100    HA   LYS  12           HA       LYS  12  19.959  -3.047   1.291
  101    HB2  LYS  12           HB2      LYS  12  17.722  -3.645  -0.636
  102    HB3  LYS  12           HB1      LYS  12  19.363  -4.229  -0.921
  103    HG2  LYS  12           HG2      LYS  12  18.421  -5.993   0.289
  104    HG3  LYS  12           HG1      LYS  12  19.237  -5.067   1.549
  105    HD2  LYS  12           HD2      LYS  12  17.213  -5.119   2.591
  106    HD3  LYS  12           HD1      LYS  12  16.796  -3.823   1.478
  107    HE2  LYS  12           HE2      LYS  12  15.818  -5.379  -0.086
  108    HE3  LYS  12           HE1      LYS  12  16.396  -6.755   0.842
  109    HZ1  LYS  12           HZ1      LYS  12  14.905  -6.334   2.551
  110    HZ2  LYS  12           HZ2      LYS  12  13.997  -6.064   1.135
  111    HZ3  LYS  12           HZ3      LYS  12  14.596  -4.746   2.032
  112    H    ILE  13           HN       ILE  13  18.166  -0.843  -0.791
  113    HA   ILE  13           HA       ILE  13  20.367  -0.418  -2.588
  114    HB   ILE  13           HB       ILE  13  18.010   1.389  -2.279
  115   HG12  ILE  13          HG12      ILE  13  17.204  -0.965  -2.357
  116   HG13  ILE  13          HG11      ILE  13  16.770  -0.074  -3.815
  117   HG21  ILE  13          HG21      ILE  13  19.947   0.668  -4.470
  118   HG22  ILE  13          HG22      ILE  13  19.524   2.268  -3.861
  119   HG23  ILE  13          HG23      ILE  13  18.377   1.372  -4.856
  120   HD11  ILE  13          HD11      ILE  13  19.020  -2.076  -3.483
  121   HD12  ILE  13          HD12      ILE  13  18.873  -1.018  -4.888
  122   HD13  ILE  13          HD13      ILE  13  17.613  -2.202  -4.541
  123    H    LEU  14           HN       LEU  14  18.952   1.302   0.153
  124    HA   LEU  14           HA       LEU  14  20.622   3.601  -0.072
  125    HB2  LEU  14           HB2      LEU  14  18.725   2.491   1.926
  126    HB3  LEU  14           HB1      LEU  14  19.931   3.621   2.539
  127    HG   LEU  14           HG       LEU  14  19.243   5.298   0.904
  128   HD11  LEU  14          HD12      LEU  14  17.348   3.126  -0.048
  129   HD12  LEU  14          HD13      LEU  14  18.626   3.906  -0.981
  130   HD13  LEU  14          HD11      LEU  14  17.196   4.821  -0.506
  131   HD21  LEU  14          HD22      LEU  14  16.746   4.136   2.158
  132   HD22  LEU  14          HD23      LEU  14  17.093   5.829   1.813
  133   HD23  LEU  14          HD21      LEU  14  17.973   4.993   3.091
  134    HN1  NH2  15           H1       LEU  14  22.377   1.410  -0.341
  Start of MODEL    3
    1    H1   ILE   1           HT1      ILE   1   3.635  -1.880  -0.224
    2    H2   ILE   1           HT2      ILE   1   3.250  -2.030  -1.865
    3    H3   ILE   1           HT3      ILE   1   2.604  -3.121  -0.745
    4    HA   ILE   1           HA       ILE   1   1.157  -1.184  -1.626
    5    HB   ILE   1           HB       ILE   1   0.342  -0.953   0.932
    6   HG12  ILE   1          HG12      ILE   1   2.644  -2.288   1.392
    7   HG13  ILE   1          HG11      ILE   1   1.214  -2.492   2.393
    8   HG21  ILE   1          HG21      ILE   1   0.135  -3.377  -0.880
    9   HG22  ILE   1          HG22      ILE   1  -0.990  -2.024  -0.764
   10   HG23  ILE   1          HG23      ILE   1  -0.845  -3.165   0.572
   11   HD11  ILE   1          HD11      ILE   1   0.766  -4.593   1.563
   12   HD12  ILE   1          HD12      ILE   1   2.510  -4.569   1.302
   13   HD13  ILE   1          HD13      ILE   1   1.419  -4.217  -0.035
   14    H    ASN   2           HN       ASN   2   2.643  -0.410   1.514
   15    HA   ASN   2           HA       ASN   2   2.643   2.425   0.801
   16    HB2  ASN   2           HB2      ASN   2   3.778   2.139   3.343
   17    HB3  ASN   2           HB1      ASN   2   2.123   2.600   2.976
   18   HD21  ASN   2          HD21      ASN   2   0.779   0.408   2.314
   19   HD22  ASN   2          HD22      ASN   2   0.963  -0.852   3.430
   20    H    LEU   3           HN       LEU   3   4.679   3.468   2.104
   21    HA   LEU   3           HA       LEU   3   6.880   3.103   0.371
   22    HB2  LEU   3           HB2      LEU   3   6.883   4.378   3.051
   23    HB3  LEU   3           HB1      LEU   3   7.975   4.733   1.722
   24    HG   LEU   3           HG       LEU   3   4.976   5.191   1.719
   25   HD11  LEU   3          HD11      LEU   3   5.615   7.583   1.775
   26   HD12  LEU   3          HD12      LEU   3   7.306   7.107   1.957
   27   HD13  LEU   3          HD13      LEU   3   6.137   6.720   3.224
   28   HD21  LEU   3          HD21      LEU   3   7.177   5.702  -0.287
   29   HD22  LEU   3          HD22      LEU   3   5.617   6.522  -0.361
   30   HD23  LEU   3          HD23      LEU   3   5.697   4.768  -0.514
   31    H    LYS   4           HN       LYS   4   6.057   1.958   3.537
   32    HA   LYS   4           HA       LYS   4   8.439   1.019   4.522
   33    HB2  LYS   4           HB2      LYS   4   5.717  -0.281   4.639
   34    HB3  LYS   4           HB1      LYS   4   7.051  -0.598   5.748
   35    HG2  LYS   4           HG2      LYS   4   6.414   2.255   5.453
   36    HG3  LYS   4           HG1      LYS   4   5.087   1.309   6.128
   37    HD2  LYS   4           HD2      LYS   4   6.555   0.436   7.875
   38    HD3  LYS   4           HD1      LYS   4   7.936   1.282   7.171
   39    HE2  LYS   4           HE2      LYS   4   5.443   2.778   7.982
   40    HE3  LYS   4           HE1      LYS   4   6.709   2.421   9.150
   41    HZ1  LYS   4           HZ1      LYS   4   6.673   4.356   7.047
   42    HZ2  LYS   4           HZ2      LYS   4   8.068   3.388   7.006
   43    HZ3  LYS   4           HZ3      LYS   4   7.674   4.262   8.408
   44    H    ALA   5           HN       ALA   5   6.176  -0.630   2.337
   45    HA   ALA   5           HA       ALA   5   7.574  -3.057   2.099
   46    HB1  ALA   5           HB1      ALA   5   5.570  -1.607   0.409
   47    HB2  ALA   5           HB2      ALA   5   5.450  -3.190   1.172
   48    HB3  ALA   5           HB3      ALA   5   6.416  -2.987  -0.287
   49    H    LEU   6           HN       LEU   6   7.779  -0.020   0.302
   50    HA   LEU   6           HA       LEU   6   9.724  -0.871  -1.580
   51    HB2  LEU   6           HB2      LEU   6   9.181   1.922  -0.565
   52    HB3  LEU   6           HB1      LEU   6   9.922   1.475  -2.102
   53    HG   LEU   6           HG       LEU   6   7.104   0.757  -1.269
   54   HD11  LEU   6          HD11      LEU   6   7.997   3.244  -2.013
   55   HD12  LEU   6          HD12      LEU   6   6.347   2.653  -2.214
   56   HD13  LEU   6          HD13      LEU   6   7.489   2.553  -3.556
   57   HD21  LEU   6          HD21      LEU   6   8.793   0.222  -3.701
   58   HD22  LEU   6          HD22      LEU   6   7.038   0.351  -3.857
   59   HD23  LEU   6          HD23      LEU   6   7.746  -0.878  -2.810
   60    H    ALA   7           HN       ALA   7   9.785   0.680   1.562
   61    HA   ALA   7           HA       ALA   7  12.479   1.389   1.712
   62    HB1  ALA   7           HB1      ALA   7  10.324   1.409   3.463
   63    HB2  ALA   7           HB2      ALA   7  11.959   1.952   3.838
   64    HB3  ALA   7           HB3      ALA   7  11.466   0.304   4.229
   65    H    ALA   8           HN       ALA   8  10.917  -1.711   2.076
   66    HA   ALA   8           HA       ALA   8  13.023  -3.154   3.252
   67    HB1  ALA   8           HB1      ALA   8  11.727  -4.984   2.875
   68    HB2  ALA   8           HB2      ALA   8  11.465  -4.570   1.180
   69    HB3  ALA   8           HB3      ALA   8  10.503  -3.791   2.437
   70    H    LEU   9           HN       LEU   9  12.238  -2.402  -0.068
   71    HA   LEU   9           HA       LEU   9  14.472  -3.780  -1.227
   72    HB2  LEU   9           HB2      LEU   9  13.217  -1.488  -2.659
   73    HB3  LEU   9           HB1      LEU   9  13.650  -3.089  -3.257
   74    HG   LEU   9           HG       LEU   9  11.289  -2.451  -1.455
   75   HD11  LEU   9          HD11      LEU   9  11.500  -3.177  -4.384
   76   HD12  LEU   9          HD12      LEU   9  10.865  -1.681  -3.702
   77   HD13  LEU   9          HD13      LEU   9   9.990  -3.194  -3.477
   78   HD21  LEU   9          HD21      LEU   9  12.134  -5.051  -2.767
   79   HD22  LEU   9          HD22      LEU   9  10.688  -4.806  -1.789
   80   HD23  LEU   9          HD23      LEU   9  12.285  -4.688  -1.049
   81    H    ALA  10           HN       ALA  10  13.679  -0.440  -0.427
   82    HA   ALA  10           HA       ALA  10  16.050   0.795  -1.326
   83    HB1  ALA  10           HB1      ALA  10  13.792   1.828  -0.539
   84    HB2  ALA  10           HB2      ALA  10  15.289   2.710  -0.223
   85    HB3  ALA  10           HB3      ALA  10  14.525   1.779   1.067
   86    H    LYS  11           HN       LYS  11  15.257  -0.835   1.696
   87    HA   LYS  11           HA       LYS  11  17.220   0.063   3.382
   88    HB2  LYS  11           HB2      LYS  11  15.780  -2.470   3.080
   89    HB3  LYS  11           HB1      LYS  11  17.234  -2.531   4.066
   90    HG2  LYS  11           HG2      LYS  11  16.247  -0.407   5.223
   91    HG3  LYS  11           HG1      LYS  11  14.723  -0.908   4.493
   92    HD2  LYS  11           HD2      LYS  11  14.509  -2.717   5.873
   93    HD3  LYS  11           HD1      LYS  11  16.246  -3.042   5.894
   94    HE2  LYS  11           HE2      LYS  11  14.895  -0.746   7.349
   95    HE3  LYS  11           HE1      LYS  11  15.425  -2.249   8.103
   96    HZ1  LYS  11           HZ1      LYS  11  17.456  -1.425   8.262
   97    HZ2  LYS  11           HZ2      LYS  11  16.927   0.034   7.578
   98    HZ3  LYS  11           HZ3      LYS  11  17.535  -1.205   6.589
   99    H    LYS  12           HN       LYS  12  17.567  -2.220   0.742
  100    HA   LYS  12           HA       LYS  12  20.237  -2.989   1.396
  101    HB2  LYS  12           HB2      LYS  12  18.513  -3.266  -1.061
  102    HB3  LYS  12           HB1      LYS  12  20.213  -3.743  -1.079
  103    HG2  LYS  12           HG2      LYS  12  19.118  -5.730  -0.439
  104    HG3  LYS  12           HG1      LYS  12  19.648  -5.045   1.099
  105    HD2  LYS  12           HD2      LYS  12  17.476  -5.274   1.731
  106    HD3  LYS  12           HD1      LYS  12  17.200  -3.831   0.761
  107    HE2  LYS  12           HE2      LYS  12  16.628  -5.166  -1.181
  108    HE3  LYS  12           HE1      LYS  12  17.084  -6.645  -0.342
  109    HZ1  LYS  12           HZ1      LYS  12  15.027  -4.896   0.829
  110    HZ2  LYS  12           HZ2      LYS  12  15.234  -6.579   0.984
  111    HZ3  LYS  12           HZ3      LYS  12  14.609  -5.932  -0.449
  112    H    ILE  13           HN       ILE  13  18.776  -0.424  -0.464
  113    HA   ILE  13           HA       ILE  13  21.290   0.466  -1.587
  114    HB   ILE  13           HB       ILE  13  18.726   2.014  -1.546
  115   HG12  ILE  13          HG12      ILE  13  18.296  -0.314  -2.355
  116   HG13  ILE  13          HG11      ILE  13  18.082   0.896  -3.618
  117   HG21  ILE  13          HG21      ILE  13  20.653   3.239  -2.346
  118   HG22  ILE  13          HG22      ILE  13  19.642   2.829  -3.731
  119   HG23  ILE  13          HG23      ILE  13  21.109   1.907  -3.409
  120   HD11  ILE  13          HD11      ILE  13  20.438   0.442  -4.366
  121   HD12  ILE  13          HD12      ILE  13  19.358  -0.942  -4.545
  122   HD13  ILE  13          HD13      ILE  13  20.504  -0.886  -3.204
  123    H    LEU  14           HN       LEU  14  19.041   1.384   0.948
  124    HA   LEU  14           HA       LEU  14  20.437   3.743   1.746
  125    HB2  LEU  14           HB2      LEU  14  17.974   2.658   2.303
  126    HB3  LEU  14           HB1      LEU  14  18.845   2.378   3.809
  127    HG   LEU  14           HG       LEU  14  19.534   4.815   3.756
  128   HD11  LEU  14          HD12      LEU  14  17.820   4.657   1.308
  129   HD12  LEU  14          HD13      LEU  14  19.270   5.620   1.606
  130   HD13  LEU  14          HD11      LEU  14  17.720   6.121   2.288
  131   HD21  LEU  14          HD22      LEU  14  17.727   4.156   5.215
  132   HD22  LEU  14          HD23      LEU  14  16.594   4.079   3.864
  133   HD23  LEU  14          HD21      LEU  14  17.225   5.633   4.396
  134    HN1  NH2  15           H1       LEU  14  20.573   0.338   2.799
  Start of MODEL    4
    1    H1   ILE   1           HT1      ILE   1   1.434  -4.617  -0.210
    2    H2   ILE   1           HT2      ILE   1   1.292  -3.026  -0.775
    3    H3   ILE   1           HT3      ILE   1  -0.043  -3.800  -0.061
    4    HA   ILE   1           HA       ILE   1   0.579  -3.275   1.979
    5    HB   ILE   1           HB       ILE   1   2.237  -4.919   2.233
    6   HG12  ILE   1          HG12      ILE   1   3.791  -2.357   2.501
    7   HG13  ILE   1          HG11      ILE   1   2.622  -2.933   3.681
    8   HG21  ILE   1          HG21      ILE   1   3.203  -5.118   0.088
    9   HG22  ILE   1          HG22      ILE   1   4.538  -4.598   1.113
   10   HG23  ILE   1          HG23      ILE   1   3.716  -3.431   0.073
   11   HD11  ILE   1          HD11      ILE   1   4.487  -5.035   3.001
   12   HD12  ILE   1          HD12      ILE   1   4.132  -4.330   4.578
   13   HD13  ILE   1          HD13      ILE   1   5.349  -3.593   3.535
   14    H    ASN   2           HN       ASN   2   1.696  -1.487   3.129
   15    HA   ASN   2           HA       ASN   2   1.566   0.914   1.613
   16    HB2  ASN   2           HB2      ASN   2   2.106   2.029   3.706
   17    HB3  ASN   2           HB1      ASN   2   0.892   0.780   3.978
   18   HD21  ASN   2          HD21      ASN   2   1.801  -1.399   4.748
   19   HD22  ASN   2          HD22      ASN   2   3.172  -1.375   5.745
   20    H    LEU   3           HN       LEU   3   3.409   2.548   2.487
   21    HA   LEU   3           HA       LEU   3   5.543   2.278   0.750
   22    HB2  LEU   3           HB2      LEU   3   5.474   3.897   3.236
   23    HB3  LEU   3           HB1      LEU   3   6.428   4.230   1.801
   24    HG   LEU   3           HG       LEU   3   3.971   4.115   0.684
   25   HD11  LEU   3          HD11      LEU   3   2.312   4.167   2.201
   26   HD12  LEU   3          HD12      LEU   3   2.915   5.716   2.784
   27   HD13  LEU   3          HD13      LEU   3   3.477   4.217   3.525
   28   HD21  LEU   3          HD21      LEU   3   5.150   6.520   2.122
   29   HD22  LEU   3          HD22      LEU   3   3.948   6.590   0.833
   30   HD23  LEU   3          HD23      LEU   3   5.569   5.981   0.497
   31    H    LYS   4           HN       LYS   4   5.119   1.041   3.943
   32    HA   LYS   4           HA       LYS   4   7.714   0.882   4.861
   33    HB2  LYS   4           HB2      LYS   4   5.249  -0.637   5.330
   34    HB3  LYS   4           HB1      LYS   4   6.716  -1.560   5.618
   35    HG2  LYS   4           HG2      LYS   4   5.817  -0.251   7.624
   36    HG3  LYS   4           HG1      LYS   4   7.516  -0.002   7.237
   37    HD2  LYS   4           HD2      LYS   4   7.184   2.196   6.862
   38    HD3  LYS   4           HD1      LYS   4   5.856   1.863   5.752
   39    HE2  LYS   4           HE2      LYS   4   5.655   1.958   8.775
   40    HE3  LYS   4           HE1      LYS   4   5.068   3.192   7.660
   41    HZ1  LYS   4           HZ1      LYS   4   4.054   0.462   8.097
   42    HZ2  LYS   4           HZ2      LYS   4   3.776   1.252   6.613
   43    HZ3  LYS   4           HZ3      LYS   4   3.205   1.929   8.066
   44    H    ALA   5           HN       ALA   5   6.054  -1.131   2.534
   45    HA   ALA   5           HA       ALA   5   7.959  -3.173   2.242
   46    HB1  ALA   5           HB1      ALA   5   6.769  -2.410  -0.298
   47    HB2  ALA   5           HB2      ALA   5   5.563  -2.464   0.988
   48    HB3  ALA   5           HB3      ALA   5   6.548  -3.888   0.639
   49    H    LEU   6           HN       LEU   6   7.679   0.000   0.664
   50    HA   LEU   6           HA       LEU   6   9.834  -0.236  -1.124
   51    HB2  LEU   6           HB2      LEU   6   8.901   2.247   0.336
   52    HB3  LEU   6           HB1      LEU   6   9.782   2.185  -1.194
   53    HG   LEU   6           HG       LEU   6   7.042   0.963  -0.766
   54   HD11  LEU   6          HD11      LEU   6   7.026   3.449  -0.584
   55   HD12  LEU   6          HD12      LEU   6   6.166   2.867  -2.010
   56   HD13  LEU   6          HD13      LEU   6   7.789   3.542  -2.173
   57   HD21  LEU   6          HD21      LEU   6   8.938   1.222  -3.077
   58   HD22  LEU   6          HD22      LEU   6   7.200   1.207  -3.382
   59   HD23  LEU   6          HD23      LEU   6   7.973  -0.162  -2.581
   60    H    ALA   7           HN       ALA   7   9.631   0.947   2.198
   61    HA   ALA   7           HA       ALA   7  12.317   1.716   2.511
   62    HB1  ALA   7           HB1      ALA   7  10.865   2.435   4.213
   63    HB2  ALA   7           HB2      ALA   7  11.826   1.184   5.002
   64    HB3  ALA   7           HB3      ALA   7  10.192   0.824   4.448
   65    H    ALA   8           HN       ALA   8  10.771  -1.383   2.519
   66    HA   ALA   8           HA       ALA   8  12.847  -2.849   3.802
   67    HB1  ALA   8           HB1      ALA   8  11.247  -4.280   1.778
   68    HB2  ALA   8           HB2      ALA   8  10.306  -3.473   3.033
   69    HB3  ALA   8           HB3      ALA   8  11.527  -4.669   3.473
   70    H    LEU   9           HN       LEU   9  12.023  -2.244   0.442
   71    HA   LEU   9           HA       LEU   9  14.252  -3.662  -0.654
   72    HB2  LEU   9           HB2      LEU   9  13.038  -1.467  -2.235
   73    HB3  LEU   9           HB1      LEU   9  13.377  -3.132  -2.693
   74    HG   LEU   9           HG       LEU   9  11.087  -2.220  -0.920
   75   HD11  LEU   9          HD11      LEU   9   9.802  -2.147  -2.766
   76   HD12  LEU   9          HD12      LEU   9  10.485  -3.642  -3.406
   77   HD13  LEU   9          HD13      LEU   9  11.312  -2.109  -3.679
   78   HD21  LEU   9          HD21      LEU   9  12.354  -4.668  -0.874
   79   HD22  LEU   9          HD22      LEU   9  11.080  -4.938  -2.060
   80   HD23  LEU   9          HD23      LEU   9  10.667  -4.400  -0.432
   81    H    ALA  10           HN       ALA  10  13.525  -0.248  -0.076
   82    HA   ALA  10           HA       ALA  10  15.827   0.914  -1.133
   83    HB1  ALA  10           HB1      ALA  10  15.343   2.821   0.267
   84    HB2  ALA  10           HB2      ALA  10  14.408   1.826   1.384
   85    HB3  ALA  10           HB3      ALA  10  13.802   2.132  -0.245
   86    H    LYS  11           HN       LYS  11  15.329  -0.670   1.974
   87    HA   LYS  11           HA       LYS  11  17.568   0.157   3.366
   88    HB2  LYS  11           HB2      LYS  11  15.656  -1.444   4.083
   89    HB3  LYS  11           HB1      LYS  11  16.669  -2.724   3.415
   90    HG2  LYS  11           HG2      LYS  11  17.113  -2.472   5.812
   91    HG3  LYS  11           HG1      LYS  11  18.534  -1.981   4.892
   92    HD2  LYS  11           HD2      LYS  11  18.239   0.262   5.388
   93    HD3  LYS  11           HD1      LYS  11  16.495   0.094   5.597
   94    HE2  LYS  11           HE2      LYS  11  17.690   0.442   7.761
   95    HE3  LYS  11           HE1      LYS  11  16.816  -1.084   7.704
   96    HZ1  LYS  11           HZ1      LYS  11  19.276  -0.995   8.512
   97    HZ2  LYS  11           HZ2      LYS  11  19.626  -1.025   6.851
   98    HZ3  LYS  11           HZ3      LYS  11  18.739  -2.287   7.560
   99    H    LYS  12           HN       LYS  12  17.323  -2.173   0.773
  100    HA   LYS  12           HA       LYS  12  20.015  -3.133   1.061
  101    HB2  LYS  12           HB2      LYS  12  17.820  -3.549  -0.955
  102    HB3  LYS  12           HB1      LYS  12  19.455  -4.116  -1.286
  103    HG2  LYS  12           HG2      LYS  12  18.401  -5.968  -0.237
  104    HG3  LYS  12           HG1      LYS  12  19.353  -5.225   1.044
  105    HD2  LYS  12           HD2      LYS  12  17.399  -5.261   2.211
  106    HD3  LYS  12           HD1      LYS  12  17.000  -3.839   1.254
  107    HE2  LYS  12           HE2      LYS  12  15.783  -5.117  -0.343
  108    HE3  LYS  12           HE1      LYS  12  16.412  -6.634   0.292
  109    HZ1  LYS  12           HZ1      LYS  12  15.197  -6.354   2.286
  110    HZ2  LYS  12           HZ2      LYS  12  14.117  -6.098   1.001
  111    HZ3  LYS  12           HZ3      LYS  12  14.736  -4.770   1.872
  112    H    ILE  13           HN       ILE  13  18.428  -0.583  -0.695
  113    HA   ILE  13           HA       ILE  13  20.730  -0.132  -2.395
  114    HB   ILE  13           HB       ILE  13  18.346   1.656  -2.177
  115   HG12  ILE  13          HG12      ILE  13  17.547  -0.691  -2.468
  116   HG13  ILE  13          HG11      ILE  13  17.225   0.303  -3.886
  117   HG21  ILE  13          HG21      ILE  13  19.794   2.690  -3.629
  118   HG22  ILE  13          HG22      ILE  13  18.985   1.618  -4.769
  119   HG23  ILE  13          HG23      ILE  13  20.558   1.177  -4.111
  120   HD11  ILE  13          HD11      ILE  13  18.998  -2.028  -3.590
  121   HD12  ILE  13          HD12      ILE  13  19.727  -0.674  -4.453
  122   HD13  ILE  13          HD13      ILE  13  18.220  -1.378  -5.032
  123    H    LEU  14           HN       LEU  14  19.040   1.401   0.290
  124    HA   LEU  14           HA       LEU  14  20.943   3.592   0.395
  125    HB2  LEU  14           HB2      LEU  14  18.453   2.841   1.888
  126    HB3  LEU  14           HB1      LEU  14  19.562   4.008   2.602
  127    HG   LEU  14           HG       LEU  14  19.418   5.408   0.585
  128   HD11  LEU  14          HD12      LEU  14  17.425   4.661  -0.985
  129   HD12  LEU  14          HD13      LEU  14  17.839   3.055  -0.387
  130   HD13  LEU  14          HD11      LEU  14  19.047   4.019  -1.236
  131   HD21  LEU  14          HD22      LEU  14  17.278   4.839   2.405
  132   HD22  LEU  14          HD23      LEU  14  16.584   5.221   0.830
  133   HD23  LEU  14          HD21      LEU  14  17.664   6.367   1.618
  134    HN1  NH2  15           H1       LEU  14  22.623   1.575   0.668
  Start of MODEL    5
    1    H1   ILE   1           HT1      ILE   1   2.270  -2.282   1.032
    2    H2   ILE   1           HT2      ILE   1   3.546  -1.470   0.263
    3    H3   ILE   1           HT3      ILE   1   2.639  -2.627  -0.581
    4    HA   ILE   1           HA       ILE   1   1.591  -0.845  -1.390
    5    HB   ILE   1           HB       ILE   1  -0.338  -0.161   0.123
    6   HG12  ILE   1          HG12      ILE   1   1.381  -1.104   2.134
    7   HG13  ILE   1          HG11      ILE   1  -0.305  -0.648   2.332
    8   HG21  ILE   1          HG21      ILE   1   0.187  -3.129  -0.229
    9   HG22  ILE   1          HG22      ILE   1  -0.464  -2.054  -1.463
   10   HG23  ILE   1          HG23      ILE   1  -1.395  -2.379  -0.000
   11   HD11  ILE   1          HD11      ILE   1   0.241  -2.956   3.172
   12   HD12  ILE   1          HD12      ILE   1   0.589  -3.423   1.507
   13   HD13  ILE   1          HD13      ILE   1  -1.038  -2.917   1.962
   14    H    ASN   2           HN       ASN   2   2.873  -0.185   1.837
   15    HA   ASN   2           HA       ASN   2   2.935   2.701   1.230
   16    HB2  ASN   2           HB2      ASN   2   3.778   1.579   3.864
   17    HB3  ASN   2           HB1      ASN   2   2.982   3.107   3.500
   18   HD21  ASN   2          HD21      ASN   2   0.815   2.055   1.893
   19   HD22  ASN   2          HD22      ASN   2  -0.187   1.146   2.917
   20    H    LEU   3           HN       LEU   3   4.955   3.604   2.642
   21    HA   LEU   3           HA       LEU   3   7.235   3.164   1.095
   22    HB2  LEU   3           HB2      LEU   3   7.158   4.141   3.896
   23    HB3  LEU   3           HB1      LEU   3   8.362   4.538   2.683
   24    HG   LEU   3           HG       LEU   3   5.838   5.218   1.580
   25   HD11  LEU   3          HD11      LEU   3   4.917   5.161   3.862
   26   HD12  LEU   3          HD12      LEU   3   4.987   6.819   3.273
   27   HD13  LEU   3          HD13      LEU   3   6.197   6.237   4.420
   28   HD21  LEU   3          HD21      LEU   3   8.055   6.909   2.786
   29   HD22  LEU   3          HD22      LEU   3   6.772   7.535   1.750
   30   HD23  LEU   3          HD23      LEU   3   7.933   6.377   1.108
   31    H    LYS   4           HN       LYS   4   6.020   1.637   3.957
   32    HA   LYS   4           HA       LYS   4   8.280   0.452   4.985
   33    HB2  LYS   4           HB2      LYS   4   5.399  -0.401   4.880
   34    HB3  LYS   4           HB1      LYS   4   6.617  -1.383   5.694
   35    HG2  LYS   4           HG2      LYS   4   6.822   0.078   7.428
   36    HG3  LYS   4           HG1      LYS   4   6.712   1.490   6.379
   37    HD2  LYS   4           HD2      LYS   4   4.372   1.522   6.441
   38    HD3  LYS   4           HD1      LYS   4   4.260  -0.187   6.863
   39    HE2  LYS   4           HE2      LYS   4   5.363   1.966   8.694
   40    HE3  LYS   4           HE1      LYS   4   3.728   1.306   8.798
   41    HZ1  LYS   4           HZ1      LYS   4   6.214   0.187   9.689
   42    HZ2  LYS   4           HZ2      LYS   4   5.305  -0.904   8.751
   43    HZ3  LYS   4           HZ3      LYS   4   4.631  -0.208  10.137
   44    H    ALA   5           HN       ALA   5   6.089  -0.807   2.476
   45    HA   ALA   5           HA       ALA   5   7.447  -3.247   2.057
   46    HB1  ALA   5           HB1      ALA   5   5.385  -3.306   1.059
   47    HB2  ALA   5           HB2      ALA   5   6.358  -2.875  -0.347
   48    HB3  ALA   5           HB3      ALA   5   5.470  -1.625   0.529
   49    H    LEU   6           HN       LEU   6   7.697  -0.092   0.495
   50    HA   LEU   6           HA       LEU   6   9.679  -0.797  -1.407
   51    HB2  LEU   6           HB2      LEU   6   9.002   1.893  -0.201
   52    HB3  LEU   6           HB1      LEU   6   9.912   1.614  -1.691
   53    HG   LEU   6           HG       LEU   6   7.126   0.513  -1.295
   54   HD11  LEU   6          HD11      LEU   6   6.455   2.511  -2.740
   55   HD12  LEU   6          HD12      LEU   6   8.003   3.225  -2.286
   56   HD13  LEU   6          HD13      LEU   6   6.801   2.854  -1.045
   57   HD21  LEU   6          HD21      LEU   6   9.066   0.870  -3.555
   58   HD22  LEU   6          HD22      LEU   6   7.336   0.870  -3.897
   59   HD23  LEU   6          HD23      LEU   6   8.084  -0.535  -3.139
   60    H    ALA   7           HN       ALA   7   9.745   0.699   1.784
   61    HA   ALA   7           HA       ALA   7  12.463   1.310   1.954
   62    HB1  ALA   7           HB1      ALA   7  10.911   2.092   3.638
   63    HB2  ALA   7           HB2      ALA   7  12.158   1.123   4.422
   64    HB3  ALA   7           HB3      ALA   7  10.559   0.436   4.133
   65    H    ALA   8           HN       ALA   8  10.795  -1.731   2.354
   66    HA   ALA   8           HA       ALA   8  12.849  -3.207   3.588
   67    HB1  ALA   8           HB1      ALA   8  11.051  -4.386   1.477
   68    HB2  ALA   8           HB2      ALA   8  10.413  -3.933   3.059
   69    HB3  ALA   8           HB3      ALA   8  11.680  -5.151   2.936
   70    H    LEU   9           HN       LEU   9  12.096  -2.643   0.194
   71    HA   LEU   9           HA       LEU   9  14.401  -4.032  -0.803
   72    HB2  LEU   9           HB2      LEU   9  12.998  -1.943  -2.422
   73    HB3  LEU   9           HB1      LEU   9  13.590  -3.531  -2.910
   74    HG   LEU   9           HG       LEU   9  11.150  -3.005  -1.171
   75   HD11  LEU   9          HD11      LEU   9  11.279  -4.206  -3.945
   76   HD12  LEU   9          HD12      LEU   9  11.003  -2.488  -3.660
   77   HD13  LEU   9          HD13      LEU   9   9.849  -3.679  -3.057
   78   HD21  LEU   9          HD21      LEU   9  12.192  -5.628  -2.308
   79   HD22  LEU   9          HD22      LEU   9  10.789  -5.410  -1.264
   80   HD23  LEU   9          HD23      LEU   9  12.406  -5.116  -0.633
   81    H    ALA  10           HN       ALA  10  13.440  -0.675  -0.403
   82    HA   ALA  10           HA       ALA  10  15.734   0.566  -1.431
   83    HB1  ALA  10           HB1      ALA  10  13.378   1.510  -0.637
   84    HB2  ALA  10           HB2      ALA  10  14.807   2.544  -0.669
   85    HB3  ALA  10           HB3      ALA  10  14.269   1.831   0.850
   86    H    LYS  11           HN       LYS  11  15.059  -0.684   1.815
   87    HA   LYS  11           HA       LYS  11  17.015   0.538   3.295
   88    HB2  LYS  11           HB2      LYS  11  15.490  -1.884   3.508
   89    HB3  LYS  11           HB1      LYS  11  17.116  -2.134   4.131
   90    HG2  LYS  11           HG2      LYS  11  16.806   0.031   5.445
   91    HG3  LYS  11           HG1      LYS  11  15.103  -0.036   4.995
   92    HD2  LYS  11           HD2      LYS  11  14.764  -1.390   6.771
   93    HD3  LYS  11           HD1      LYS  11  15.726  -2.623   5.953
   94    HE2  LYS  11           HE2      LYS  11  17.168  -0.430   7.407
   95    HE3  LYS  11           HE1      LYS  11  16.419  -1.711   8.359
   96    HZ1  LYS  11           HZ1      LYS  11  18.731  -2.190   7.740
   97    HZ2  LYS  11           HZ2      LYS  11  18.297  -2.165   6.101
   98    HZ3  LYS  11           HZ3      LYS  11  17.651  -3.351   7.139
   99    H    LYS  12           HN       LYS  12  17.402  -2.176   1.100
  100    HA   LYS  12           HA       LYS  12  20.129  -2.640   1.746
  101    HB2  LYS  12           HB2      LYS  12  18.422  -3.435  -0.607
  102    HB3  LYS  12           HB1      LYS  12  20.112  -3.915  -0.439
  103    HG2  LYS  12           HG2      LYS  12  19.085  -5.707   0.607
  104    HG3  LYS  12           HG1      LYS  12  19.321  -4.635   1.985
  105    HD2  LYS  12           HD2      LYS  12  17.094  -4.849   2.324
  106    HD3  LYS  12           HD1      LYS  12  16.920  -3.754   0.954
  107    HE2  LYS  12           HE2      LYS  12  16.793  -5.622  -0.597
  108    HE3  LYS  12           HE1      LYS  12  17.105  -6.763   0.708
  109    HZ1  LYS  12           HZ1      LYS  12  14.993  -6.674   1.398
  110    HZ2  LYS  12           HZ2      LYS  12  14.658  -6.007  -0.132
  111    HZ3  LYS  12           HZ3      LYS  12  14.888  -4.988   1.214
  112    H    ILE  13           HN       ILE  13  18.462  -0.651  -0.618
  113    HA   ILE  13           HA       ILE  13  20.831   0.098  -2.043
  114    HB   ILE  13           HB       ILE  13  18.263   1.632  -2.040
  115   HG12  ILE  13          HG12      ILE  13  17.736  -0.791  -2.264
  116   HG13  ILE  13          HG11      ILE  13  17.410   0.097  -3.751
  117   HG21  ILE  13          HG21      ILE  13  20.336   1.036  -4.165
  118   HG22  ILE  13          HG22      ILE  13  20.167   2.559  -3.295
  119   HG23  ILE  13          HG23      ILE  13  18.897   2.028  -4.394
  120   HD11  ILE  13          HD11      ILE  13  18.570  -1.852  -4.446
  121   HD12  ILE  13          HD12      ILE  13  19.747  -1.717  -3.142
  122   HD13  ILE  13          HD13      ILE  13  19.780  -0.574  -4.482
  123    H    LEU  14           HN       LEU  14  18.814   1.484   0.485
  124    HA   LEU  14           HA       LEU  14  20.327   3.925   0.658
  125    HB2  LEU  14           HB2      LEU  14  18.063   2.651   2.132
  126    HB3  LEU  14           HB1      LEU  14  18.991   3.896   2.971
  127    HG   LEU  14           HG       LEU  14  18.636   5.427   1.034
  128   HD11  LEU  14          HD12      LEU  14  17.005   3.084   0.028
  129   HD12  LEU  14          HD13      LEU  14  18.319   3.931  -0.791
  130   HD13  LEU  14          HD11      LEU  14  16.759   4.729  -0.558
  131   HD21  LEU  14          HD22      LEU  14  15.992   5.434   1.363
  132   HD22  LEU  14          HD23      LEU  14  17.076   5.909   2.668
  133   HD23  LEU  14          HD21      LEU  14  16.384   4.288   2.644
  134    HN1  NH2  15           H1       LEU  14  20.221   0.887   2.584
  Start of MODEL    6
    1    H1   ILE   1           HT1      ILE   1   4.405  -1.939  -2.224
    2    H2   ILE   1           HT2      ILE   1   3.802  -3.513  -2.005
    3    H3   ILE   1           HT3      ILE   1   4.158  -2.549  -0.663
    4    HA   ILE   1           HA       ILE   1   2.090  -1.899  -2.681
    5    HB   ILE   1           HB       ILE   1   0.481  -2.525  -0.855
    6   HG12  ILE   1          HG12      ILE   1   3.035  -3.384   0.436
    7   HG13  ILE   1          HG11      ILE   1   1.706  -2.472   1.134
    8   HG21  ILE   1          HG21      ILE   1   0.346  -4.684  -1.605
    9   HG22  ILE   1          HG22      ILE   1   2.066  -4.985  -1.367
   10   HG23  ILE   1          HG23      ILE   1   1.517  -4.074  -2.773
   11   HD11  ILE   1          HD11      ILE   1   0.333  -4.663   0.629
   12   HD12  ILE   1          HD12      ILE   1   1.346  -4.577   2.069
   13   HD13  ILE   1          HD13      ILE   1   1.924  -5.421   0.633
   14    H    ASN   2           HN       ASN   2   3.284  -1.364   0.662
   15    HA   ASN   2           HA       ASN   2   2.243   1.397   0.512
   16    HB2  ASN   2           HB2      ASN   2   3.086  -0.163   2.963
   17    HB3  ASN   2           HB1      ASN   2   2.273   1.394   2.931
   18   HD21  ASN   2          HD21      ASN   2   0.542   0.384   0.573
   19   HD22  ASN   2          HD22      ASN   2  -0.615  -0.608   1.324
   20    H    LEU   3           HN       LEU   3   3.667   2.657   2.379
   21    HA   LEU   3           HA       LEU   3   6.087   3.273   1.075
   22    HB2  LEU   3           HB2      LEU   3   5.054   3.967   3.783
   23    HB3  LEU   3           HB1      LEU   3   6.541   4.626   3.131
   24    HG   LEU   3           HG       LEU   3   5.092   5.350   1.106
   25   HD11  LEU   3          HD11      LEU   3   3.026   4.321   1.330
   26   HD12  LEU   3          HD12      LEU   3   2.684   5.851   2.137
   27   HD13  LEU   3          HD13      LEU   3   3.052   4.416   3.092
   28   HD21  LEU   3          HD21      LEU   3   4.139   6.857   3.482
   29   HD22  LEU   3          HD22      LEU   3   5.004   7.434   2.056
   30   HD23  LEU   3          HD23      LEU   3   5.888   6.654   3.365
   31    H    LYS   4           HN       LYS   4   5.219   1.221   3.753
   32    HA   LYS   4           HA       LYS   4   7.686   0.744   4.905
   33    HB2  LYS   4           HB2      LYS   4   5.340  -1.096   4.456
   34    HB3  LYS   4           HB1      LYS   4   6.663  -1.426   5.569
   35    HG2  LYS   4           HG2      LYS   4   4.580   0.754   5.716
   36    HG3  LYS   4           HG1      LYS   4   4.957  -0.473   6.922
   37    HD2  LYS   4           HD2      LYS   4   7.220   0.588   7.212
   38    HD3  LYS   4           HD1      LYS   4   6.704   1.880   6.129
   39    HE2  LYS   4           HE2      LYS   4   4.805   2.382   7.658
   40    HE3  LYS   4           HE1      LYS   4   5.393   1.140   8.763
   41    HZ1  LYS   4           HZ1      LYS   4   6.145   3.377   9.353
   42    HZ2  LYS   4           HZ2      LYS   4   6.971   3.492   7.875
   43    HZ3  LYS   4           HZ3      LYS   4   7.441   2.335   9.031
   44    H    ALA   5           HN       ALA   5   6.122  -0.843   2.161
   45    HA   ALA   5           HA       ALA   5   8.073  -2.794   1.661
   46    HB1  ALA   5           HB1      ALA   5   6.366  -3.276   0.261
   47    HB2  ALA   5           HB2      ALA   5   7.149  -2.157  -0.855
   48    HB3  ALA   5           HB3      ALA   5   5.835  -1.597   0.180
   49    H    LEU   6           HN       LEU   6   7.772   0.546   0.471
   50    HA   LEU   6           HA       LEU   6   9.977   0.564  -1.257
   51    HB2  LEU   6           HB2      LEU   6   9.008   2.853   0.466
   52    HB3  LEU   6           HB1      LEU   6   9.840   2.960  -1.086
   53    HG   LEU   6           HG       LEU   6   7.053   1.898  -0.573
   54   HD11  LEU   6          HD11      LEU   6   6.749   3.739  -2.477
   55   HD12  LEU   6          HD12      LEU   6   8.245   4.366  -1.789
   56   HD13  LEU   6          HD13      LEU   6   6.810   4.198  -0.778
   57   HD21  LEU   6          HD21      LEU   6   7.866   0.454  -2.253
   58   HD22  LEU   6          HD22      LEU   6   8.864   1.715  -2.982
   59   HD23  LEU   6          HD23      LEU   6   7.111   1.756  -3.171
   60    H    ALA   7           HN       ALA   7   9.667   1.312   2.186
   61    HA   ALA   7           HA       ALA   7  12.321   2.075   2.668
   62    HB1  ALA   7           HB1      ALA   7  10.791   2.481   4.415
   63    HB2  ALA   7           HB2      ALA   7  11.835   1.205   5.036
   64    HB3  ALA   7           HB3      ALA   7  10.226   0.812   4.429
   65    H    ALA   8           HN       ALA   8  10.796  -1.054   2.430
   66    HA   ALA   8           HA       ALA   8  12.903  -2.627   3.426
   67    HB1  ALA   8           HB1      ALA   8  11.665  -4.426   2.750
   68    HB2  ALA   8           HB2      ALA   8  11.298  -3.707   1.184
   69    HB3  ALA   8           HB3      ALA   8  10.404  -3.197   2.614
   70    H    LEU   9           HN       LEU   9  12.161  -1.509   0.182
   71    HA   LEU   9           HA       LEU   9  14.326  -2.791  -1.131
   72    HB2  LEU   9           HB2      LEU   9  13.377  -0.168  -2.174
   73    HB3  LEU   9           HB1      LEU   9  13.631  -1.689  -3.028
   74    HG   LEU   9           HG       LEU   9  11.317  -1.078  -1.160
   75   HD11  LEU   9          HD11      LEU   9  11.540  -1.250  -4.175
   76   HD12  LEU   9          HD12      LEU   9  11.037   0.143  -3.215
   77   HD13  LEU   9          HD13      LEU   9  10.003  -1.281  -3.314
   78   HD21  LEU   9          HD21      LEU   9  11.663  -3.403  -1.009
   79   HD22  LEU   9          HD22      LEU   9  12.163  -3.527  -2.697
   80   HD23  LEU   9          HD23      LEU   9  10.468  -3.250  -2.296
   81    H    ALA  10           HN       ALA  10  13.872   0.429   0.234
   82    HA   ALA  10           HA       ALA  10  16.283   1.606  -0.493
   83    HB1  ALA  10           HB1      ALA  10  14.488   2.861   0.594
   84    HB2  ALA  10           HB2      ALA  10  15.991   3.048   1.499
   85    HB3  ALA  10           HB3      ALA  10  14.736   1.956   2.087
   86    H    LYS  11           HN       LYS  11  15.587  -0.530   2.247
   87    HA   LYS  11           HA       LYS  11  17.984  -0.302   3.638
   88    HB2  LYS  11           HB2      LYS  11  15.753  -1.991   3.757
   89    HB3  LYS  11           HB1      LYS  11  17.120  -3.077   3.495
   90    HG2  LYS  11           HG2      LYS  11  18.325  -1.937   5.380
   91    HG3  LYS  11           HG1      LYS  11  16.868  -0.985   5.687
   92    HD2  LYS  11           HD2      LYS  11  16.061  -2.671   6.942
   93    HD3  LYS  11           HD1      LYS  11  16.068  -3.716   5.519
   94    HE2  LYS  11           HE2      LYS  11  18.422  -3.253   7.381
   95    HE3  LYS  11           HE1      LYS  11  17.418  -4.702   7.329
   96    HZ1  LYS  11           HZ1      LYS  11  19.069  -5.351   5.943
   97    HZ2  LYS  11           HZ2      LYS  11  19.439  -3.775   5.442
   98    HZ3  LYS  11           HZ3      LYS  11  18.087  -4.572   4.792
   99    H    LYS  12           HN       LYS  12  17.206  -2.271   0.810
  100    HA   LYS  12           HA       LYS  12  19.780  -3.522   0.712
  101    HB2  LYS  12           HB2      LYS  12  17.419  -3.388  -1.158
  102    HB3  LYS  12           HB1      LYS  12  18.939  -4.132  -1.662
  103    HG2  LYS  12           HG2      LYS  12  17.749  -5.948  -0.764
  104    HG3  LYS  12           HG1      LYS  12  18.771  -5.449   0.585
  105    HD2  LYS  12           HD2      LYS  12  16.804  -5.403   1.748
  106    HD3  LYS  12           HD1      LYS  12  16.597  -3.840   0.970
  107    HE2  LYS  12           HE2      LYS  12  14.603  -4.851   0.378
  108    HE3  LYS  12           HE1      LYS  12  15.610  -5.286  -1.001
  109    HZ1  LYS  12           HZ1      LYS  12  15.102  -6.971   1.391
  110    HZ2  LYS  12           HZ2      LYS  12  16.124  -7.384   0.107
  111    HZ3  LYS  12           HZ3      LYS  12  14.454  -7.214  -0.155
  112    H    ILE  13           HN       ILE  13  18.280  -0.711  -0.741
  113    HA   ILE  13           HA       ILE  13  20.360  -0.171  -2.607
  114    HB   ILE  13           HB       ILE  13  18.372   1.746  -1.421
  115   HG12  ILE  13          HG12      ILE  13  17.419  -0.399  -2.464
  116   HG13  ILE  13          HG11      ILE  13  16.834   1.126  -3.127
  117   HG21  ILE  13          HG21      ILE  13  20.379   2.609  -2.767
  118   HG22  ILE  13          HG22      ILE  13  18.780   3.109  -3.319
  119   HG23  ILE  13          HG23      ILE  13  19.638   1.819  -4.157
  120   HD11  ILE  13          HD11      ILE  13  19.251  -0.156  -4.356
  121   HD12  ILE  13          HD12      ILE  13  18.040   0.887  -5.099
  122   HD13  ILE  13          HD13      ILE  13  17.654  -0.795  -4.740
  123    H    LEU  14           HN       LEU  14  19.617   0.813   0.677
  124    HA   LEU  14           HA       LEU  14  21.937   2.562   0.841
  125    HB2  LEU  14           HB2      LEU  14  19.527   2.067   2.406
  126    HB3  LEU  14           HB1      LEU  14  20.963   2.116   3.424
  127    HG   LEU  14           HG       LEU  14  21.600   4.264   2.185
  128   HD11  LEU  14          HD12      LEU  14  20.222   4.204   0.256
  129   HD12  LEU  14          HD13      LEU  14  19.494   5.444   1.277
  130   HD13  LEU  14          HD11      LEU  14  18.778   3.836   1.198
  131   HD21  LEU  14          HD22      LEU  14  19.808   5.594   3.473
  132   HD22  LEU  14          HD23      LEU  14  20.837   4.512   4.410
  133   HD23  LEU  14          HD21      LEU  14  19.193   4.025   3.989
  134    HN1  NH2  15           H1       LEU  14  21.332  -0.809   1.292
  Start of MODEL    7
    1    H1   ILE   1           HT1      ILE   1   1.484  -2.051  -2.206
    2    H2   ILE   1           HT2      ILE   1   2.894  -2.217  -1.275
    3    H3   ILE   1           HT3      ILE   1   2.610  -0.790  -2.141
    4    HA   ILE   1           HA       ILE   1   0.436  -0.779  -0.696
    5    HB   ILE   1           HB       ILE   1   1.090  -1.503   1.624
    6   HG12  ILE   1          HG12      ILE   1   3.634  -1.643   0.808
    7   HG13  ILE   1          HG11      ILE   1   3.026  -2.705   2.078
    8   HG21  ILE   1          HG21      ILE   1  -0.402  -2.879   0.261
    9   HG22  ILE   1          HG22      ILE   1   0.665  -3.914   1.208
   10   HG23  ILE   1          HG23      ILE   1   0.980  -3.663  -0.508
   11   HD11  ILE   1          HD11      ILE   1   4.236  -3.525  -0.306
   12   HD12  ILE   1          HD12      ILE   1   2.519  -3.831  -0.559
   13   HD13  ILE   1          HD13      ILE   1   3.343  -4.545   0.820
   14    H    ASN   2           HN       ASN   2   2.164  -0.182   1.891
   15    HA   ASN   2           HA       ASN   2   2.637   2.574   1.167
   16    HB2  ASN   2           HB2      ASN   2   3.644   2.351   3.688
   17    HB3  ASN   2           HB1      ASN   2   1.958   2.689   3.303
   18   HD21  ASN   2          HD21      ASN   2   0.515   0.663   3.104
   19   HD22  ASN   2          HD22      ASN   2   0.873  -0.642   4.128
   20    H    LEU   3           HN       LEU   3   4.691   3.472   2.473
   21    HA   LEU   3           HA       LEU   3   6.902   2.886   0.829
   22    HB2  LEU   3           HB2      LEU   3   6.926   4.275   3.456
   23    HB3  LEU   3           HB1      LEU   3   8.078   4.484   2.147
   24    HG   LEU   3           HG       LEU   3   5.712   5.035   0.876
   25   HD11  LEU   3          HD11      LEU   3   4.889   4.943   3.486
   26   HD12  LEU   3          HD12      LEU   3   4.105   5.911   2.240
   27   HD13  LEU   3          HD13      LEU   3   5.289   6.651   3.319
   28   HD21  LEU   3          HD21      LEU   3   7.814   6.386   0.868
   29   HD22  LEU   3          HD22      LEU   3   7.367   7.045   2.442
   30   HD23  LEU   3          HD23      LEU   3   6.372   7.387   1.025
   31    H    LYS   4           HN       LYS   4   5.813   1.649   3.866
   32    HA   LYS   4           HA       LYS   4   8.164   0.727   4.988
   33    HB2  LYS   4           HB2      LYS   4   5.331  -0.182   5.076
   34    HB3  LYS   4           HB1      LYS   4   6.566  -1.249   5.733
   35    HG2  LYS   4           HG2      LYS   4   6.460  -0.029   7.630
   36    HG3  LYS   4           HG1      LYS   4   7.254   1.264   6.735
   37    HD2  LYS   4           HD2      LYS   4   5.363   2.388   7.428
   38    HD3  LYS   4           HD1      LYS   4   4.780   1.744   5.894
   39    HE2  LYS   4           HE2      LYS   4   4.388   0.431   8.604
   40    HE3  LYS   4           HE1      LYS   4   3.158   1.353   7.740
   41    HZ1  LYS   4           HZ1      LYS   4   4.466  -1.149   6.799
   42    HZ2  LYS   4           HZ2      LYS   4   3.351  -0.233   5.889
   43    HZ3  LYS   4           HZ3      LYS   4   2.868  -0.988   7.331
   44    H    ALA   5           HN       ALA   5   6.096  -0.869   2.582
   45    HA   ALA   5           HA       ALA   5   7.718  -3.199   2.387
   46    HB1  ALA   5           HB1      ALA   5   5.423  -3.279   1.628
   47    HB2  ALA   5           HB2      ALA   5   6.484  -3.591   0.254
   48    HB3  ALA   5           HB3      ALA   5   5.733  -2.008   0.447
   49    H    LEU   6           HN       LEU   6   7.612  -0.129   0.661
   50    HA   LEU   6           HA       LEU   6   9.496  -0.782  -1.348
   51    HB2  LEU   6           HB2      LEU   6   8.872   1.934  -0.176
   52    HB3  LEU   6           HB1      LEU   6   9.525   1.595  -1.779
   53    HG   LEU   6           HG       LEU   6   6.809   0.676  -0.792
   54   HD11  LEU   6          HD11      LEU   6   6.499   2.459  -2.912
   55   HD12  LEU   6          HD12      LEU   6   7.740   3.202  -1.901
   56   HD13  LEU   6          HD13      LEU   6   6.166   2.786  -1.216
   57   HD21  LEU   6          HD21      LEU   6   7.599  -0.826  -2.488
   58   HD22  LEU   6          HD22      LEU   6   8.254   0.500  -3.452
   59   HD23  LEU   6          HD23      LEU   6   6.508   0.292  -3.307
   60    H    ALA   7           HN       ALA   7   9.684   0.784   1.798
   61    HA   ALA   7           HA       ALA   7  12.386   1.490   1.798
   62    HB1  ALA   7           HB1      ALA   7  10.889   0.531   4.235
   63    HB2  ALA   7           HB2      ALA   7  10.612   2.118   3.514
   64    HB3  ALA   7           HB3      ALA   7  12.203   1.708   4.161
   65    H    ALA   8           HN       ALA   8  10.822  -1.567   2.367
   66    HA   ALA   8           HA       ALA   8  12.914  -2.964   3.604
   67    HB1  ALA   8           HB1      ALA   8  11.845  -4.994   2.802
   68    HB2  ALA   8           HB2      ALA   8  10.939  -4.075   1.597
   69    HB3  ALA   8           HB3      ALA   8  10.602  -3.854   3.316
   70    H    LEU   9           HN       LEU   9  12.168  -2.430   0.222
   71    HA   LEU   9           HA       LEU   9  14.450  -3.858  -0.780
   72    HB2  LEU   9           HB2      LEU   9  13.178  -1.685  -2.383
   73    HB3  LEU   9           HB1      LEU   9  13.685  -3.301  -2.879
   74    HG   LEU   9           HG       LEU   9  11.246  -2.657  -1.165
   75   HD11  LEU   9          HD11      LEU   9  11.525  -3.576  -4.045
   76   HD12  LEU   9          HD12      LEU   9  10.902  -2.019  -3.496
   77   HD13  LEU   9          HD13      LEU   9  10.004  -3.498  -3.157
   78   HD21  LEU   9          HD21      LEU   9  12.031  -5.304  -2.406
   79   HD22  LEU   9          HD22      LEU   9  10.786  -5.004  -1.195
   80   HD23  LEU   9          HD23      LEU   9  12.488  -4.869  -0.757
   81    H    ALA  10           HN       ALA  10  13.578  -0.493  -0.253
   82    HA   ALA  10           HA       ALA  10  15.891   0.751  -1.200
   83    HB1  ALA  10           HB1      ALA  10  14.838   2.028   1.203
   84    HB2  ALA  10           HB2      ALA  10  13.566   1.581   0.065
   85    HB3  ALA  10           HB3      ALA  10  14.888   2.623  -0.456
   86    H    LYS  11           HN       LYS  11  15.284  -0.776   1.933
   87    HA   LYS  11           HA       LYS  11  17.394   0.182   3.419
   88    HB2  LYS  11           HB2      LYS  11  16.288  -2.581   3.310
   89    HB3  LYS  11           HB1      LYS  11  17.401  -2.036   4.551
   90    HG2  LYS  11           HG2      LYS  11  15.290  -0.111   4.342
   91    HG3  LYS  11           HG1      LYS  11  14.562  -1.709   4.458
   92    HD2  LYS  11           HD2      LYS  11  15.503  -2.135   6.546
   93    HD3  LYS  11           HD1      LYS  11  16.813  -0.975   6.302
   94    HE2  LYS  11           HE2      LYS  11  13.968  -0.017   6.363
   95    HE3  LYS  11           HE1      LYS  11  14.820  -0.336   7.874
   96    HZ1  LYS  11           HZ1      LYS  11  16.378   1.160   5.988
   97    HZ2  LYS  11           HZ2      LYS  11  16.071   1.466   7.627
   98    HZ3  LYS  11           HZ3      LYS  11  14.957   1.959   6.443
   99    H    LYS  12           HN       LYS  12  17.443  -2.169   0.831
  100    HA   LYS  12           HA       LYS  12  20.185  -2.939   1.269
  101    HB2  LYS  12           HB2      LYS  12  18.126  -3.525  -0.848
  102    HB3  LYS  12           HB1      LYS  12  19.812  -3.983  -1.078
  103    HG2  LYS  12           HG2      LYS  12  18.829  -5.887  -0.065
  104    HG3  LYS  12           HG1      LYS  12  19.653  -5.063   1.257
  105    HD2  LYS  12           HD2      LYS  12  17.652  -5.194   2.320
  106    HD3  LYS  12           HD1      LYS  12  17.188  -3.840   1.299
  107    HE2  LYS  12           HE2      LYS  12  16.169  -5.268  -0.310
  108    HE3  LYS  12           HE1      LYS  12  16.866  -6.709   0.425
  109    HZ1  LYS  12           HZ1      LYS  12  15.531  -6.358   2.375
  110    HZ2  LYS  12           HZ2      LYS  12  14.524  -6.386   1.004
  111    HZ3  LYS  12           HZ3      LYS  12  14.911  -4.905   1.754
  112    H    ILE  13           HN       ILE  13  18.495  -0.490  -0.477
  113    HA   ILE  13           HA       ILE  13  20.792   0.186  -2.129
  114    HB   ILE  13           HB       ILE  13  18.197   1.671  -1.911
  115   HG12  ILE  13          HG12      ILE  13  17.920  -0.795  -2.497
  116   HG13  ILE  13          HG11      ILE  13  17.333   0.331  -3.716
  117   HG21  ILE  13          HG21      ILE  13  18.788   2.463  -4.159
  118   HG22  ILE  13          HG22      ILE  13  20.253   1.481  -4.129
  119   HG23  ILE  13          HG23      ILE  13  20.082   2.839  -3.018
  120   HD11  ILE  13          HD11      ILE  13  19.283   0.015  -5.076
  121   HD12  ILE  13          HD12      ILE  13  18.736  -1.596  -4.610
  122   HD13  ILE  13          HD13      ILE  13  20.115  -0.865  -3.793
  123    H    LEU  14           HN       LEU  14  18.938   1.413   0.578
  124    HA   LEU  14           HA       LEU  14  20.317   3.884   0.862
  125    HB2  LEU  14           HB2      LEU  14  18.396   2.285   2.477
  126    HB3  LEU  14           HB1      LEU  14  19.398   3.434   3.359
  127    HG   LEU  14           HG       LEU  14  18.663   5.253   1.904
  128   HD11  LEU  14          HD12      LEU  14  18.351   4.162  -0.206
  129   HD12  LEU  14          HD13      LEU  14  16.754   4.726   0.283
  130   HD13  LEU  14          HD11      LEU  14  17.186   3.028   0.473
  131   HD21  LEU  14          HD22      LEU  14  16.726   3.554   3.381
  132   HD22  LEU  14          HD23      LEU  14  16.033   4.790   2.331
  133   HD23  LEU  14          HD21      LEU  14  17.149   5.248   3.618
  134    HN1  NH2  15           H1       LEU  14  22.402   2.117   0.474
  Start of MODEL    8
    1    H1   ILE   1           HT1      ILE   1   3.594  -2.295  -2.231
    2    H2   ILE   1           HT2      ILE   1   3.281  -2.759  -0.632
    3    H3   ILE   1           HT3      ILE   1   4.246  -1.401  -0.952
    4    HA   ILE   1           HA       ILE   1   1.847  -0.974  -2.267
    5    HB   ILE   1           HB       ILE   1   0.443  -0.946  -0.032
    6   HG12  ILE   1          HG12      ILE   1   2.735  -2.083   0.983
    7   HG13  ILE   1          HG11      ILE   1   1.135  -2.259   1.699
    8   HG21  ILE   1          HG21      ILE   1   0.983  -3.410  -1.704
    9   HG22  ILE   1          HG22      ILE   1  -0.239  -2.174  -2.000
   10   HG23  ILE   1          HG23      ILE   1  -0.389  -3.248  -0.609
   11   HD11  ILE   1          HD11      ILE   1   0.794  -4.381   0.696
   12   HD12  ILE   1          HD12      ILE   1   2.467  -4.419   1.261
   13   HD13  ILE   1          HD13      ILE   1   2.120  -4.146  -0.444
   14    H    ASN   2           HN       ASN   2   3.205  -0.488   1.017
   15    HA   ASN   2           HA       ASN   2   2.997   2.419   0.579
   16    HB2  ASN   2           HB2      ASN   2   3.770   1.308   3.224
   17    HB3  ASN   2           HB1      ASN   2   2.771   2.698   2.830
   18   HD21  ASN   2          HD21      ASN   2   0.719   1.732   1.333
   19   HD22  ASN   2          HD22      ASN   2  -0.111   0.488   2.136
   20    H    LEU   3           HN       LEU   3   4.776   3.425   2.250
   21    HA   LEU   3           HA       LEU   3   7.204   3.350   0.853
   22    HB2  LEU   3           HB2      LEU   3   6.699   4.222   3.653
   23    HB3  LEU   3           HB1      LEU   3   8.069   4.704   2.665
   24    HG   LEU   3           HG       LEU   3   5.347   5.170   1.548
   25   HD11  LEU   3          HD11      LEU   3   4.628   6.618   3.104
   26   HD12  LEU   3          HD12      LEU   3   6.185   7.443   3.140
   27   HD13  LEU   3          HD13      LEU   3   5.911   6.034   4.164
   28   HD21  LEU   3          HD21      LEU   3   7.947   6.723   1.624
   29   HD22  LEU   3          HD22      LEU   3   6.499   7.237   0.762
   30   HD23  LEU   3          HD23      LEU   3   7.338   5.765   0.274
   31    H    LYS   4           HN       LYS   4   6.088   1.848   3.807
   32    HA   LYS   4           HA       LYS   4   8.429   0.731   4.730
   33    HB2  LYS   4           HB2      LYS   4   5.552  -0.105   4.865
   34    HB3  LYS   4           HB1      LYS   4   6.803  -1.113   5.591
   35    HG2  LYS   4           HG2      LYS   4   6.727   1.840   6.181
   36    HG3  LYS   4           HG1      LYS   4   5.645   0.745   7.040
   37    HD2  LYS   4           HD2      LYS   4   7.317   0.125   8.398
   38    HD3  LYS   4           HD1      LYS   4   8.273  -0.412   7.017
   39    HE2  LYS   4           HE2      LYS   4   9.325   1.700   6.781
   40    HE3  LYS   4           HE1      LYS   4   8.109   2.514   7.768
   41    HZ1  LYS   4           HZ1      LYS   4   8.904   1.146   9.665
   42    HZ2  LYS   4           HZ2      LYS   4  10.064   2.227   9.070
   43    HZ3  LYS   4           HZ3      LYS   4  10.163   0.576   8.688
   44    H    ALA   5           HN       ALA   5   6.118  -0.591   2.378
   45    HA   ALA   5           HA       ALA   5   7.393  -3.058   1.958
   46    HB1  ALA   5           HB1      ALA   5   5.916  -3.347   0.223
   47    HB2  ALA   5           HB2      ALA   5   6.122  -1.700  -0.369
   48    HB3  ALA   5           HB3      ALA   5   5.107  -2.010   1.039
   49    H    LEU   6           HN       LEU   6   7.801   0.086   0.401
   50    HA   LEU   6           HA       LEU   6   9.793  -0.732  -1.453
   51    HB2  LEU   6           HB2      LEU   6   9.267   2.015  -0.310
   52    HB3  LEU   6           HB1      LEU   6  10.092   1.642  -1.824
   53    HG   LEU   6           HG       LEU   6   7.225   0.884  -1.226
   54   HD11  LEU   6          HD11      LEU   6   6.599   2.753  -2.677
   55   HD12  LEU   6          HD12      LEU   6   8.297   3.167  -2.915
   56   HD13  LEU   6          HD13      LEU   6   7.557   3.353  -1.325
   57   HD21  LEU   6          HD21      LEU   6   9.033   0.715  -3.641
   58   HD22  LEU   6          HD22      LEU   6   7.277   0.704  -3.803
   59   HD23  LEU   6          HD23      LEU   6   8.084  -0.569  -2.890
   60    H    ALA   7           HN       ALA   7   9.786   0.661   1.758
   61    HA   ALA   7           HA       ALA   7  12.473   1.305   2.045
   62    HB1  ALA   7           HB1      ALA   7  10.816   1.924   3.728
   63    HB2  ALA   7           HB2      ALA   7  12.119   1.003   4.484
   64    HB3  ALA   7           HB3      ALA   7  10.574   0.228   4.138
   65    H    ALA   8           HN       ALA   8  10.869  -1.786   2.218
   66    HA   ALA   8           HA       ALA   8  12.920  -3.297   3.398
   67    HB1  ALA   8           HB1      ALA   8  10.694  -4.244   3.060
   68    HB2  ALA   8           HB2      ALA   8  11.897  -5.233   2.229
   69    HB3  ALA   8           HB3      ALA   8  10.893  -4.118   1.311
   70    H    LEU   9           HN       LEU   9  12.222  -2.546   0.044
   71    HA   LEU   9           HA       LEU   9  14.534  -3.858  -1.028
   72    HB2  LEU   9           HB2      LEU   9  13.209  -1.624  -2.503
   73    HB3  LEU   9           HB1      LEU   9  13.765  -3.189  -3.096
   74    HG   LEU   9           HG       LEU   9  11.309  -2.737  -1.358
   75   HD11  LEU   9          HD11      LEU   9  10.132  -3.562  -3.438
   76   HD12  LEU   9          HD12      LEU   9  11.658  -3.361  -4.294
   77   HD13  LEU   9          HD13      LEU   9  10.858  -1.961  -3.582
   78   HD21  LEU   9          HD21      LEU   9  11.996  -5.287  -2.786
   79   HD22  LEU   9          HD22      LEU   9  10.977  -5.043  -1.363
   80   HD23  LEU   9          HD23      LEU   9  12.732  -4.948  -1.218
   81    H    ALA  10           HN       ALA  10  13.603  -0.522  -0.368
   82    HA   ALA  10           HA       ALA  10  15.956   0.742  -1.229
   83    HB1  ALA  10           HB1      ALA  10  14.498   2.407  -0.791
   84    HB2  ALA  10           HB2      ALA  10  15.102   2.309   0.866
   85    HB3  ALA  10           HB3      ALA  10  13.628   1.451   0.410
   86    H    LYS  11           HN       LYS  11  15.156  -0.844   1.816
   87    HA   LYS  11           HA       LYS  11  17.130   0.094   3.482
   88    HB2  LYS  11           HB2      LYS  11  15.456  -2.237   3.350
   89    HB3  LYS  11           HB1      LYS  11  17.038  -2.648   4.011
   90    HG2  LYS  11           HG2      LYS  11  16.820  -0.736   5.597
   91    HG3  LYS  11           HG1      LYS  11  15.196  -0.438   4.973
   92    HD2  LYS  11           HD2      LYS  11  14.314  -2.234   6.071
   93    HD3  LYS  11           HD1      LYS  11  15.755  -3.222   5.825
   94    HE2  LYS  11           HE2      LYS  11  15.369  -2.583   8.225
   95    HE3  LYS  11           HE1      LYS  11  16.931  -2.074   7.594
   96    HZ1  LYS  11           HZ1      LYS  11  14.797  -0.161   7.229
   97    HZ2  LYS  11           HZ2      LYS  11  16.390   0.074   7.750
   98    HZ3  LYS  11           HZ3      LYS  11  15.206  -0.454   8.848
   99    H    LYS  12           HN       LYS  12  17.460  -2.114   0.812
  100    HA   LYS  12           HA       LYS  12  20.122  -2.923   1.523
  101    HB2  LYS  12           HB2      LYS  12  18.385  -3.342  -0.894
  102    HB3  LYS  12           HB1      LYS  12  20.084  -3.832  -0.879
  103    HG2  LYS  12           HG2      LYS  12  19.063  -5.770  -0.092
  104    HG3  LYS  12           HG1      LYS  12  19.434  -4.950   1.425
  105    HD2  LYS  12           HD2      LYS  12  17.210  -5.278   1.849
  106    HD3  LYS  12           HD1      LYS  12  17.010  -3.843   0.852
  107    HE2  LYS  12           HE2      LYS  12  15.559  -5.368  -0.176
  108    HE3  LYS  12           HE1      LYS  12  17.022  -5.514  -1.146
  109    HZ1  LYS  12           HZ1      LYS  12  17.481  -7.554  -0.333
  110    HZ2  LYS  12           HZ2      LYS  12  15.799  -7.609  -0.114
  111    HZ3  LYS  12           HZ3      LYS  12  16.819  -7.239   1.198
  112    H    ILE  13           HN       ILE  13  18.656  -0.536  -0.589
  113    HA   ILE  13           HA       ILE  13  21.203   0.264  -1.710
  114    HB   ILE  13           HB       ILE  13  18.601   1.699  -2.040
  115   HG12  ILE  13          HG12      ILE  13  18.361  -0.783  -2.494
  116   HG13  ILE  13          HG11      ILE  13  18.033   0.259  -3.877
  117   HG21  ILE  13          HG21      ILE  13  20.361   2.941  -2.992
  118   HG22  ILE  13          HG22      ILE  13  19.714   2.029  -4.356
  119   HG23  ILE  13          HG23      ILE  13  21.191   1.490  -3.556
  120   HD11  ILE  13          HD11      ILE  13  20.193  -0.183  -4.833
  121   HD12  ILE  13          HD12      ILE  13  19.498  -1.742  -4.382
  122   HD13  ILE  13          HD13      ILE  13  20.738  -1.005  -3.368
  123    H    LEU  14           HN       LEU  14  18.769   1.477   0.521
  124    HA   LEU  14           HA       LEU  14  20.454   3.789   1.170
  125    HB2  LEU  14           HB2      LEU  14  17.560   3.093   1.557
  126    HB3  LEU  14           HB1      LEU  14  18.314   4.307   2.590
  127    HG   LEU  14           HG       LEU  14  19.125   5.454   0.480
  128   HD11  LEU  14          HD12      LEU  14  17.514   3.216  -0.687
  129   HD12  LEU  14          HD13      LEU  14  18.999   3.960  -1.284
  130   HD13  LEU  14          HD11      LEU  14  17.455   4.786  -1.489
  131   HD21  LEU  14          HD22      LEU  14  16.156   5.139   0.973
  132   HD22  LEU  14          HD23      LEU  14  16.856   6.393  -0.057
  133   HD23  LEU  14          HD21      LEU  14  17.230   6.355   1.668
  134    HN1  NH2  15           H1       LEU  14  18.240   2.239   3.454
  Start of MODEL    9
    1    H1   ILE   1           HT1      ILE   1   2.249  -3.054  -0.981
    2    H2   ILE   1           HT2      ILE   1   3.612  -3.101   0.028
    3    H3   ILE   1           HT3      ILE   1   3.423  -4.259  -1.195
    4    HA   ILE   1           HA       ILE   1   5.039  -2.669  -1.907
    5    HB   ILE   1           HB       ILE   1   3.968  -1.962  -3.982
    6   HG12  ILE   1          HG12      ILE   1   1.713  -1.589  -2.317
    7   HG13  ILE   1          HG11      ILE   1   1.806  -1.327  -4.063
    8   HG21  ILE   1          HG21      ILE   1   4.486  -4.372  -3.654
    9   HG22  ILE   1          HG22      ILE   1   3.106  -4.123  -4.727
   10   HG23  ILE   1          HG23      ILE   1   2.843  -4.625  -3.056
   11   HD11  ILE   1          HD11      ILE   1   1.146  -3.996  -2.785
   12   HD12  ILE   1          HD12      ILE   1   1.120  -3.613  -4.508
   13   HD13  ILE   1          HD13      ILE   1  -0.051  -2.866  -3.421
   14    H    ASN   2           HN       ASN   2   4.007  -1.445   0.474
   15    HA   ASN   2           HA       ASN   2   3.388   1.291  -0.445
   16    HB2  ASN   2           HB2      ASN   2   3.093   0.343   2.378
   17    HB3  ASN   2           HB1      ASN   2   2.224   1.625   1.534
   18   HD21  ASN   2          HD21      ASN   2   1.584   0.132  -0.864
   19   HD22  ASN   2          HD22      ASN   2   0.493  -1.097  -0.430
   20    H    LEU   3           HN       LEU   3   4.067   2.677   1.843
   21    HA   LEU   3           HA       LEU   3   6.737   3.320   1.407
   22    HB2  LEU   3           HB2      LEU   3   4.603   4.060   3.184
   23    HB3  LEU   3           HB1      LEU   3   6.141   4.035   4.043
   24    HG   LEU   3           HG       LEU   3   5.753   5.400   1.370
   25   HD11  LEU   3          HD11      LEU   3   5.270   6.340   4.180
   26   HD12  LEU   3          HD12      LEU   3   4.370   6.710   2.710
   27   HD13  LEU   3          HD13      LEU   3   5.931   7.478   3.006
   28   HD21  LEU   3          HD21      LEU   3   8.005   5.557   1.504
   29   HD22  LEU   3          HD22      LEU   3   8.006   4.817   3.106
   30   HD23  LEU   3          HD23      LEU   3   7.799   6.560   2.938
   31    H    LYS   4           HN       LYS   4   5.218   1.413   3.913
   32    HA   LYS   4           HA       LYS   4   7.442   0.803   5.430
   33    HB2  LYS   4           HB2      LYS   4   4.860  -0.628   4.902
   34    HB3  LYS   4           HB1      LYS   4   6.100  -1.365   5.917
   35    HG2  LYS   4           HG2      LYS   4   6.076   0.522   7.433
   36    HG3  LYS   4           HG1      LYS   4   5.005   1.423   6.362
   37    HD2  LYS   4           HD2      LYS   4   3.266  -0.329   6.685
   38    HD3  LYS   4           HD1      LYS   4   4.330  -1.136   7.845
   39    HE2  LYS   4           HE2      LYS   4   3.647   1.778   8.171
   40    HE3  LYS   4           HE1      LYS   4   2.528   0.546   8.742
   41    HZ1  LYS   4           HZ1      LYS   4   5.159   1.298   9.744
   42    HZ2  LYS   4           HZ2      LYS   4   4.798  -0.362   9.767
   43    HZ3  LYS   4           HZ3      LYS   4   3.793   0.741  10.580
   44    H    ALA   5           HN       ALA   5   6.069  -0.859   2.636
   45    HA   ALA   5           HA       ALA   5   7.983  -2.964   2.532
   46    HB1  ALA   5           HB1      ALA   5   5.743  -3.066   1.439
   47    HB2  ALA   5           HB2      ALA   5   7.068  -3.449   0.340
   48    HB3  ALA   5           HB3      ALA   5   6.298  -1.865   0.274
   49    H    LEU   6           HN       LEU   6   7.676   0.164   0.850
   50    HA   LEU   6           HA       LEU   6   9.804  -0.063  -0.939
   51    HB2  LEU   6           HB2      LEU   6   8.692   2.297   0.571
   52    HB3  LEU   6           HB1      LEU   6   9.949   2.459  -0.657
   53    HG   LEU   6           HG       LEU   6   7.402   0.969  -1.254
   54   HD11  LEU   6          HD11      LEU   6   6.422   2.968  -0.656
   55   HD12  LEU   6          HD12      LEU   6   6.815   3.300  -2.340
   56   HD13  LEU   6          HD13      LEU   6   7.850   3.922  -1.054
   57   HD21  LEU   6          HD21      LEU   6   7.985   1.524  -3.543
   58   HD22  LEU   6          HD22      LEU   6   9.410   0.841  -2.760
   59   HD23  LEU   6          HD23      LEU   6   9.289   2.586  -3.000
   60    H    ALA   7           HN       ALA   7   9.765   1.035   2.420
   61    HA   ALA   7           HA       ALA   7  12.450   1.778   2.670
   62    HB1  ALA   7           HB1      ALA   7  10.564   0.564   4.694
   63    HB2  ALA   7           HB2      ALA   7  10.928   2.274   4.462
   64    HB3  ALA   7           HB3      ALA   7  12.160   1.190   5.108
   65    H    ALA   8           HN       ALA   8  10.903  -1.368   2.906
   66    HA   ALA   8           HA       ALA   8  13.107  -2.871   3.801
   67    HB1  ALA   8           HB1      ALA   8  11.112  -3.991   1.861
   68    HB2  ALA   8           HB2      ALA   8  10.613  -3.561   3.498
   69    HB3  ALA   8           HB3      ALA   8  11.873  -4.772   3.248
   70    H    LEU   9           HN       LEU   9  11.985  -2.091   0.564
   71    HA   LEU   9           HA       LEU   9  14.090  -3.469  -0.807
   72    HB2  LEU   9           HB2      LEU   9  12.666  -1.112  -2.002
   73    HB3  LEU   9           HB1      LEU   9  13.166  -2.618  -2.769
   74    HG   LEU   9           HG       LEU   9  10.926  -2.327  -0.745
   75   HD11  LEU   9          HD11      LEU   9  10.117  -3.400  -3.269
   76   HD12  LEU   9          HD12      LEU   9  11.001  -1.902  -3.567
   77   HD13  LEU   9          HD13      LEU   9   9.597  -1.903  -2.499
   78   HD21  LEU   9          HD21      LEU   9  12.069  -4.686  -2.241
   79   HD22  LEU   9          HD22      LEU   9  10.489  -4.717  -1.459
   80   HD23  LEU   9          HD23      LEU   9  11.948  -4.481  -0.494
   81    H    ALA  10           HN       ALA  10  13.443  -0.102   0.032
   82    HA   ALA  10           HA       ALA  10  15.725   1.084  -1.067
   83    HB1  ALA  10           HB1      ALA  10  15.398   2.857   0.641
   84    HB2  ALA  10           HB2      ALA  10  14.247   1.815   1.475
   85    HB3  ALA  10           HB3      ALA  10  13.885   2.407  -0.146
   86    H    LYS  11           HN       LYS  11  15.286  -0.652   1.971
   87    HA   LYS  11           HA       LYS  11  17.615  -0.007   3.324
   88    HB2  LYS  11           HB2      LYS  11  15.590  -1.722   3.794
   89    HB3  LYS  11           HB1      LYS  11  16.838  -2.877   3.326
   90    HG2  LYS  11           HG2      LYS  11  18.381  -1.704   4.973
   91    HG3  LYS  11           HG1      LYS  11  16.965  -0.831   5.558
   92    HD2  LYS  11           HD2      LYS  11  16.190  -2.645   6.690
   93    HD3  LYS  11           HD1      LYS  11  16.548  -3.734   5.347
   94    HE2  LYS  11           HE2      LYS  11  17.908  -4.011   7.549
   95    HE3  LYS  11           HE1      LYS  11  18.777  -4.044   6.019
   96    HZ1  LYS  11           HZ1      LYS  11  19.902  -2.250   6.598
   97    HZ2  LYS  11           HZ2      LYS  11  19.202  -2.335   8.145
   98    HZ3  LYS  11           HZ3      LYS  11  18.488  -1.383   6.939
   99    H    LYS  12           HN       LYS  12  17.152  -2.115   0.581
  100    HA   LYS  12           HA       LYS  12  19.811  -3.204   0.680
  101    HB2  LYS  12           HB2      LYS  12  17.501  -3.397  -1.231
  102    HB3  LYS  12           HB1      LYS  12  19.091  -4.009  -1.678
  103    HG2  LYS  12           HG2      LYS  12  18.113  -5.882  -0.685
  104    HG3  LYS  12           HG1      LYS  12  19.016  -5.191   0.663
  105    HD2  LYS  12           HD2      LYS  12  16.980  -5.371   1.722
  106    HD3  LYS  12           HD1      LYS  12  16.703  -3.820   0.930
  107    HE2  LYS  12           HE2      LYS  12  14.812  -5.222   0.408
  108    HE3  LYS  12           HE1      LYS  12  15.797  -5.086  -1.051
  109    HZ1  LYS  12           HZ1      LYS  12  15.712  -7.301  -1.041
  110    HZ2  LYS  12           HZ2      LYS  12  15.256  -7.396   0.590
  111    HZ3  LYS  12           HZ3      LYS  12  16.890  -7.209   0.170
  112    H    ILE  13           HN       ILE  13  18.249  -0.464  -0.757
  113    HA   ILE  13           HA       ILE  13  20.395   0.050  -2.619
  114    HB   ILE  13           HB       ILE  13  18.223   1.965  -1.847
  115   HG12  ILE  13          HG12      ILE  13  17.191  -0.228  -2.395
  116   HG13  ILE  13          HG11      ILE  13  16.842   0.977  -3.632
  117   HG21  ILE  13          HG21      ILE  13  20.176   2.687  -3.303
  118   HG22  ILE  13          HG22      ILE  13  18.586   2.878  -4.045
  119   HG23  ILE  13          HG23      ILE  13  19.611   1.516  -4.498
  120   HD11  ILE  13          HD11      ILE  13  18.473  -1.487  -3.807
  121   HD12  ILE  13          HD12      ILE  13  19.175  -0.072  -4.594
  122   HD13  ILE  13          HD13      ILE  13  17.572  -0.640  -5.063
  123    H    LEU  14           HN       LEU  14  19.206   1.302   0.461
  124    HA   LEU  14           HA       LEU  14  21.042   3.454   0.695
  125    HB2  LEU  14           HB2      LEU  14  19.229   1.962   2.540
  126    HB3  LEU  14           HB1      LEU  14  20.553   2.866   3.278
  127    HG   LEU  14           HG       LEU  14  19.844   4.888   1.983
  128   HD11  LEU  14          HD12      LEU  14  18.705   3.924   0.107
  129   HD12  LEU  14          HD13      LEU  14  17.486   4.799   1.030
  130   HD13  LEU  14          HD11      LEU  14  17.590   3.043   1.148
  131   HD21  LEU  14          HD22      LEU  14  19.066   4.513   4.312
  132   HD22  LEU  14          HD23      LEU  14  17.649   3.661   3.693
  133   HD23  LEU  14          HD21      LEU  14  17.867   5.379   3.354
  134    HN1  NH2  15           H1       LEU  14  21.234   0.050   1.747
  Start of MODEL   10
    1    H1   ILE   1           HT1      ILE   1   2.995  -1.653   0.934
    2    H2   ILE   1           HT2      ILE   1   2.009  -2.682   0.008
    3    H3   ILE   1           HT3      ILE   1   2.218  -2.967   1.663
    4    HA   ILE   1           HA       ILE   1   0.373  -1.242   0.332
    5    HB   ILE   1           HB       ILE   1  -0.520  -1.247   2.801
    6   HG12  ILE   1          HG12      ILE   1   1.895  -2.257   3.448
    7   HG13  ILE   1          HG11      ILE   1   0.442  -2.675   4.342
    8   HG21  ILE   1          HG21      ILE   1  -1.728  -2.509   1.242
    9   HG22  ILE   1          HG22      ILE   1  -1.242  -3.726   2.423
   10   HG23  ILE   1          HG23      ILE   1  -0.366  -3.575   0.899
   11   HD11  ILE   1          HD11      ILE   1   1.068  -4.329   1.936
   12   HD12  ILE   1          HD12      ILE   1   0.346  -4.801   3.474
   13   HD13  ILE   1          HD13      ILE   1   2.088  -4.549   3.359
   14    H    ASN   2           HN       ASN   2   2.747  -0.836   2.962
   15    HA   ASN   2           HA       ASN   2   2.286   2.082   2.827
   16    HB2  ASN   2           HB2      ASN   2   3.682   0.561   5.033
   17    HB3  ASN   2           HB1      ASN   2   3.148   2.237   5.050
   18   HD21  ASN   2          HD21      ASN   2   0.561   1.514   3.660
   19   HD22  ASN   2          HD22      ASN   2  -0.385   0.761   4.852
   20    H    LEU   3           HN       LEU   3   4.505   3.110   3.851
   21    HA   LEU   3           HA       LEU   3   6.351   3.058   1.720
   22    HB2  LEU   3           HB2      LEU   3   6.668   4.070   4.504
   23    HB3  LEU   3           HB1      LEU   3   7.726   4.469   3.163
   24    HG   LEU   3           HG       LEU   3   5.466   5.212   2.009
   25   HD11  LEU   3          HD11      LEU   3   4.223   6.355   4.153
   26   HD12  LEU   3          HD12      LEU   3   4.731   4.821   4.857
   27   HD13  LEU   3          HD13      LEU   3   3.708   4.839   3.418
   28   HD21  LEU   3          HD21      LEU   3   5.776   7.493   3.035
   29   HD22  LEU   3          HD22      LEU   3   7.270   6.761   2.453
   30   HD23  LEU   3          HD23      LEU   3   6.904   6.766   4.179
   31    H    LYS   4           HN       LYS   4   5.993   1.251   4.602
   32    HA   LYS   4           HA       LYS   4   8.548   0.373   5.159
   33    HB2  LYS   4           HB2      LYS   4   5.828  -0.850   5.422
   34    HB3  LYS   4           HB1      LYS   4   7.261  -1.812   5.797
   35    HG2  LYS   4           HG2      LYS   4   7.688  -0.657   7.713
   36    HG3  LYS   4           HG1      LYS   4   7.316   0.893   6.967
   37    HD2  LYS   4           HD2      LYS   4   4.896   0.408   7.172
   38    HD3  LYS   4           HD1      LYS   4   5.283  -1.134   7.934
   39    HE2  LYS   4           HE2      LYS   4   6.350   1.451   9.053
   40    HE3  LYS   4           HE1      LYS   4   4.739   0.872   9.480
   41    HZ1  LYS   4           HZ1      LYS   4   7.121  -0.866   9.717
   42    HZ2  LYS   4           HZ2      LYS   4   5.599  -1.036  10.457
   43    HZ3  LYS   4           HZ3      LYS   4   6.660   0.184  10.962
   44    H    ALA   5           HN       ALA   5   6.240  -0.856   2.781
   45    HA   ALA   5           HA       ALA   5   7.715  -3.089   1.917
   46    HB1  ALA   5           HB1      ALA   5   6.462  -2.287  -0.366
   47    HB2  ALA   5           HB2      ALA   5   5.497  -1.454   0.853
   48    HB3  ALA   5           HB3      ALA   5   5.679  -3.207   0.917
   49    H    LEU   6           HN       LEU   6   7.719   0.291   0.829
   50    HA   LEU   6           HA       LEU   6   9.636  -0.065  -1.243
   51    HB2  LEU   6           HB2      LEU   6   8.308   2.169   0.140
   52    HB3  LEU   6           HB1      LEU   6   9.933   2.543  -0.431
   53    HG   LEU   6           HG       LEU   6   7.837   1.250  -2.190
   54   HD11  LEU   6          HD11      LEU   6   7.294   3.420  -3.034
   55   HD12  LEU   6          HD12      LEU   6   8.616   4.176  -2.142
   56   HD13  LEU   6          HD13      LEU   6   7.212   3.548  -1.278
   57   HD21  LEU   6          HD21      LEU   6   9.872   0.906  -3.247
   58   HD22  LEU   6          HD22      LEU   6  10.620   2.320  -2.505
   59   HD23  LEU   6          HD23      LEU   6   9.502   2.519  -3.855
   60    H    ALA   7           HN       ALA   7   9.809   1.033   2.092
   61    HA   ALA   7           HA       ALA   7  12.542   1.588   2.245
   62    HB1  ALA   7           HB1      ALA   7  12.290   1.204   4.688
   63    HB2  ALA   7           HB2      ALA   7  10.689   0.526   4.390
   64    HB3  ALA   7           HB3      ALA   7  11.009   2.221   4.031
   65    H    ALA   8           HN       ALA   8  10.807  -1.440   2.483
   66    HA   ALA   8           HA       ALA   8  12.872  -3.056   3.486
   67    HB1  ALA   8           HB1      ALA   8  11.661  -4.930   2.313
   68    HB2  ALA   8           HB2      ALA   8  10.591  -3.714   1.618
   69    HB3  ALA   8           HB3      ALA   8  10.638  -3.949   3.364
   70    H    LEU   9           HN       LEU   9  11.998  -2.253   0.178
   71    HA   LEU   9           HA       LEU   9  14.169  -3.704  -1.000
   72    HB2  LEU   9           HB2      LEU   9  12.991  -1.422  -2.495
   73    HB3  LEU   9           HB1      LEU   9  13.302  -3.074  -3.021
   74    HG   LEU   9           HG       LEU   9  11.047  -2.220  -1.180
   75   HD11  LEU   9          HD11      LEU   9   9.693  -3.035  -3.242
   76   HD12  LEU   9          HD12      LEU   9  11.199  -2.806  -4.133
   77   HD13  LEU   9          HD13      LEU   9  10.443  -1.442  -3.316
   78   HD21  LEU   9          HD21      LEU   9  12.275  -4.745  -1.565
   79   HD22  LEU   9          HD22      LEU   9  10.741  -4.805  -2.433
   80   HD23  LEU   9          HD23      LEU   9  10.771  -4.405  -0.715
   81    H    ALA  10           HN       ALA  10  13.507  -0.310  -0.307
   82    HA   ALA  10           HA       ALA  10  15.921   0.749  -1.309
   83    HB1  ALA  10           HB1      ALA  10  14.947   2.698  -0.774
   84    HB2  ALA  10           HB2      ALA  10  14.881   2.262   0.934
   85    HB3  ALA  10           HB3      ALA  10  13.587   1.761  -0.154
   86    H    LYS  11           HN       LYS  11  15.094  -0.564   1.862
   87    HA   LYS  11           HA       LYS  11  17.135   0.390   3.436
   88    HB2  LYS  11           HB2      LYS  11  15.341  -1.090   4.253
   89    HB3  LYS  11           HB1      LYS  11  16.078  -2.447   3.402
   90    HG2  LYS  11           HG2      LYS  11  16.882  -2.663   5.614
   91    HG3  LYS  11           HG1      LYS  11  18.213  -1.884   4.764
   92    HD2  LYS  11           HD2      LYS  11  17.749   0.222   5.707
   93    HD3  LYS  11           HD1      LYS  11  16.104  -0.240   6.154
   94    HE2  LYS  11           HE2      LYS  11  17.534  -0.218   8.141
   95    HE3  LYS  11           HE1      LYS  11  17.020  -1.869   7.786
   96    HZ1  LYS  11           HZ1      LYS  11  19.099  -2.475   7.148
   97    HZ2  LYS  11           HZ2      LYS  11  19.534  -1.236   8.227
   98    HZ3  LYS  11           HZ3      LYS  11  19.500  -0.937   6.559
   99    H    LYS  12           HN       LYS  12  17.318  -2.289   1.131
  100    HA   LYS  12           HA       LYS  12  20.040  -2.879   1.800
  101    HB2  LYS  12           HB2      LYS  12  18.169  -3.836  -0.360
  102    HB3  LYS  12           HB1      LYS  12  19.861  -4.338  -0.292
  103    HG2  LYS  12           HG2      LYS  12  18.883  -6.014   0.985
  104    HG3  LYS  12           HG1      LYS  12  19.289  -4.844   2.240
  105    HD2  LYS  12           HD2      LYS  12  17.103  -5.058   2.816
  106    HD3  LYS  12           HD1      LYS  12  16.824  -3.946   1.473
  107    HE2  LYS  12           HE2      LYS  12  16.588  -5.886  -0.053
  108    HE3  LYS  12           HE1      LYS  12  16.772  -6.969   1.325
  109    HZ1  LYS  12           HZ1      LYS  12  14.754  -6.373   2.180
  110    HZ2  LYS  12           HZ2      LYS  12  14.427  -6.241   0.518
  111    HZ3  LYS  12           HZ3      LYS  12  14.756  -4.845   1.440
  112    H    ILE  13           HN       ILE  13  18.431  -0.799  -0.484
  113    HA   ILE  13           HA       ILE  13  20.843  -0.420  -2.042
  114    HB   ILE  13           HB       ILE  13  18.332   1.180  -2.280
  115   HG12  ILE  13          HG12      ILE  13  17.812  -1.279  -2.306
  116   HG13  ILE  13          HG11      ILE  13  17.481  -0.491  -3.845
  117   HG21  ILE  13          HG21      ILE  13  19.068   1.309  -4.649
  118   HG22  ILE  13          HG22      ILE  13  20.496   0.365  -4.230
  119   HG23  ILE  13          HG23      ILE  13  20.276   1.976  -3.548
  120   HD11  ILE  13          HD11      ILE  13  20.081  -1.921  -3.231
  121   HD12  ILE  13          HD12      ILE  13  19.531  -1.321  -4.793
  122   HD13  ILE  13          HD13      ILE  13  18.715  -2.686  -4.041
  123    H    LEU  14           HN       LEU  14  18.884   1.349   0.284
  124    HA   LEU  14           HA       LEU  14  20.395   3.768   0.153
  125    HB2  LEU  14           HB2      LEU  14  18.304   2.640   1.968
  126    HB3  LEU  14           HB1      LEU  14  19.301   3.957   2.583
  127    HG   LEU  14           HG       LEU  14  18.684   5.380   0.712
  128   HD11  LEU  14          HD12      LEU  14  17.019   4.574  -0.964
  129   HD12  LEU  14          HD13      LEU  14  17.142   2.960  -0.268
  130   HD13  LEU  14          HD11      LEU  14  18.543   3.692  -1.048
  131   HD21  LEU  14          HD22      LEU  14  16.144   5.374   1.049
  132   HD22  LEU  14          HD23      LEU  14  17.119   5.513   2.511
  133   HD23  LEU  14          HD21      LEU  14  16.390   3.966   2.082
  134    HN1  NH2  15           H1       LEU  14  22.495   2.187   0.233