*HEADER    ANTIMICROBIAL PROTEIN                   11-JAN-18   6C41              
*TITLE     THE CLAVANIN PEPTIDE IN THE PRESENCE OF TFE (2,2,2-TRIFLUOROETHANOL), 
*TITLE    2 PRESENTED A AMPHIPATHIC ALPHA-HELICES FROM PHE-2 TO VAL-22 RESIDUES  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CLAVANIN-A;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STYELA CLAVA;                                   
*SOURCE   3 ORGANISM_COMMON: SEA SQUIRT;                                         
*SOURCE   4 ORGANISM_TAXID: 7725;                                                
*SOURCE   5 EXPRESSION_SYSTEM: STYELA CLAVA;                                     
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 7725                                        
*KEYWDS    ANTIMICROBIAL PEPTIDES, BIOFILM, ANTIMICROBIAL PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    E.S.F.ALVES,L.M.LIAO                                                  
*REVDAT   1   07-FEB-18 6C41    0                                                
# Restraints file 1: jbnu_jf_all_jf_restraints_IR_SQ_MR.tbl
! On my watch it's Wed Mar 26 14:55:34 2014.
!
ASSI  (RESI     2 AND NAME   HN)
      (RESI     2 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     2 AND NAME  HB#)
      (RESI     2 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HN)
      (RESI     3 AND NAME  HG#)      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  HB#)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME  HB#)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME HE2#)
      (RESI     3 AND NAME  HG#)      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  HB#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HA)
      (RESI     4 AND NAME  HB#)      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   HN)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     5 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME HD##)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     6 AND NAME  HA#)      2.800 1.000 0.000
ASSI  (RESI     6 AND NAME  HA#)
      (RESI     6 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     7 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     7 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HB#)
      (RESI     7 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HB#)
      (RESI     7 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HG#)
      (RESI     7 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     7 AND NAME  HE#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HB#)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HE#)
      (RESI     7 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HE#)
      (RESI     7 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     7 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HG#)
      (RESI     7 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HB#)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HG#)
      (RESI     7 AND NAME  HE#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     8 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HB)
      (RESI     8 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HB)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HD1#)
      (RESI     8 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HG1#)
      (RESI     8 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HD1#)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HB)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HA)
      (RESI     8 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HD1#)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME HG1#)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HB)
      (RESI     8 AND NAME   HA)      5.000 3.200 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)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     9 AND NAME HG1#)      3.400 1.600 0.000
ASSI  (RESI     9 AND NAME   HB)
      (RESI     9 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HB)
      (RESI     9 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HD1#)
      (RESI     9 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HB)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HG1#)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (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     9 AND NAME HG1#)
      (RESI     9 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HA)
      (RESI     9 AND NAME HD1#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI    10 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    10 AND NAME  HB#)
      (RESI    10 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME  HD#)
      (RESI    10 AND NAME   HA)      5.000 3.200 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  HB#)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HD#)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    11 AND NAME  HD#)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME  HD#)
      (RESI    11 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HD#)
      (RESI    11 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME  HB#)
      (RESI    11 AND NAME  HD#)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HA)
      (RESI    11 AND NAME  HB#)      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)      2.800 1.000 0.000
ASSI  (RESI    12 AND NAME   HN)
      (RESI    12 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME HG##)
      (RESI    12 AND NAME   HA)      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   HB)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HB)
      (RESI    12 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME   HA)
      (RESI    12 AND NAME   HN)      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  HA#)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    14 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    14 AND NAME   HN)
      (RESI    14 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    14 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME HD##)
      (RESI    14 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME HD##)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    14 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    15 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    15 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME  HB#)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HA)
      (RESI    15 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    16 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    16 AND NAME   HB)      2.800 1.000 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    16 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME HG##)
      (RESI    16 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    16 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HB)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME HG##)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HB)
      (RESI    16 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    17 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    17 AND NAME  HB#)      2.800 1.000 0.000
ASSI  (RESI    17 AND NAME  HB#)
      (RESI    17 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI    18 AND NAME   HN)
      (RESI    18 AND NAME  HA#)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME   HN)
      (RESI    19 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    19 AND NAME   HN)
      (RESI    19 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME  HB#)
      (RESI    19 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    20 AND NAME   HN)
      (RESI    20 AND NAME   HA)      2.800 1.000 0.000
ASSI  (RESI    20 AND NAME   HA)
      (RESI    20 AND NAME   HN)      2.800 1.000 0.000
ASSI  (RESI    21 AND NAME   HN)
      (RESI    21 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    21 AND NAME  HB#)
      (RESI    21 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    22 AND NAME   HN)
      (RESI    22 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    22 AND NAME   HN)
      (RESI    22 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    22 AND NAME HG##)
      (RESI    22 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    22 AND NAME   HB)
      (RESI    22 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    22 AND NAME   HA)
      (RESI    22 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    23 AND NAME   HN)
      (RESI    23 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    23 AND NAME  HB#)
      (RESI    23 AND NAME   HA)      5.000 3.200 0.000
! On my watch it's Wed Mar 26 14:55:34 2014.
!
ASSI  (RESI     3 AND NAME   HN)
      (RESI     4 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   HA)
      (RESI     4 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME  HG#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     3 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     5 AND NAME   HG)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME   HN)
      (RESI     5 AND NAME HD##)      5.000 3.200 0.000
ASSI  (RESI     4 AND NAME  HB#)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HN)
      (RESI     4 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     7 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME   HN)
      (RESI     5 AND NAME  HB#)      3.400 1.600 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HN)
      (RESI     6 AND NAME  HA#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME  HD#)
      (RESI     8 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     7 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     9 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HB)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI    10 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI    10 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME   HB)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME   HN)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     9 AND NAME HD1#)
      (RESI    10 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    10 AND NAME   HN)
      (RESI     9 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    12 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    11 AND NAME   HN)
      (RESI    12 AND NAME HG##)      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    11 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    12 AND NAME HG##)
      (RESI    11 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    14 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    12 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    12 AND NAME HG##)      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  HA#)      3.400 1.600 0.000
ASSI  (RESI    14 AND NAME  HB#)
      (RESI    15 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    14 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    14 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    16 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME  HB#)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    15 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    15 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HN)
      (RESI    15 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME HG##)
      (RESI    15 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    17 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME HG##)
      (RESI    15 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    18 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    16 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    16 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    16 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    16 AND NAME HG##)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME   HN)
      (RESI    19 AND NAME   HN)      3.400 1.600 0.000
ASSI  (RESI    18 AND NAME   HN)
      (RESI    17 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HA#)
      (RESI    19 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME   HN)
      (RESI    12 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    19 AND NAME   HN)
      (RESI    20 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HN)
      (RESI    18 AND NAME  HA#)      3.400 1.600 0.000
ASSI  (RESI    20 AND NAME   HN)
      (RESI    19 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    20 AND NAME   HN)
      (RESI    19 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    20 AND NAME  HB#)
      (RESI    21 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    21 AND NAME   HN)
      (RESI    22 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    21 AND NAME   HN)
      (RESI    20 AND NAME   HA)      3.400 1.600 0.000
ASSI  (RESI    22 AND NAME   HN)
      (RESI    21 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    22 AND NAME   HN)
      (RESI    21 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    22 AND NAME   HN)
      (RESI    21 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI    23 AND NAME   HN)
      (RESI    22 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    23 AND NAME   HN)
      (RESI    22 AND NAME   HB)      3.400 1.600 0.000
ASSI  (RESI    23 AND NAME   HN)
      (RESI    22 AND NAME HG##)      5.000 3.200 0.000
! On my watch it's Wed Mar 26 14:55:34 2014.
!
ASSI  (RESI     3 AND NAME   HN)
      (RESI     5 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME  HB#)
      (RESI     8 AND NAME HG1#)      5.000 3.200 0.000
ASSI  (RESI     5 AND NAME   HA)
      (RESI     8 AND NAME   HN)      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     6 AND NAME   HN)
      (RESI     3 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI     6 AND NAME  HA#)
      (RESI     9 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     3 AND NAME   HA)
      (RESI     6 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI     7 AND NAME   HA)
      (RESI    10 AND NAME  HB#)      5.000 3.200 0.000
ASSI  (RESI     8 AND NAME   HN)
      (RESI     5 AND NAME   HA)      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     9 AND NAME   HN)
      (RESI     6 AND NAME  HA#)      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    10 AND NAME  HB#)
      (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    13 AND NAME   HN)
      (RESI    15 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    13 AND NAME  HA#)
      (RESI    17 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    15 AND NAME   HN)
      (RESI    13 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    16 AND NAME   HA)
      (RESI    19 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    17 AND NAME   HN)
      (RESI    13 AND NAME  HA#)      5.000 3.200 0.000
ASSI  (RESI    18 AND NAME  HA#)
      (RESI    21 AND NAME   HN)      5.000 3.200 0.000
ASSI  (RESI    19 AND NAME   HN)
      (RESI    16 AND NAME   HA)      5.000 3.200 0.000
ASSI  (RESI    21 AND NAME   HN)
      (RESI    18 AND NAME  HA#)      5.000 3.200 0.000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           HT1      VAL   1   6.721   9.134   5.406
    2    H2   VAL   1           HT2      VAL   1   5.406   9.871   6.188
    3    H3   VAL   1           HT3      VAL   1   5.145   8.701   4.989
    4    HA   VAL   1           HA       VAL   1   5.733   8.383   7.782
    5    HB   VAL   1           HB       VAL   1   4.567   6.233   7.350
    6   HG11  VAL   1          HG11      VAL   1   2.889   8.086   5.771
    7   HG12  VAL   1          HG12      VAL   1   3.488   8.750   7.291
    8   HG13  VAL   1          HG13      VAL   1   2.540   7.263   7.297
    9   HG21  VAL   1          HG21      VAL   1   3.863   6.885   4.571
   10   HG22  VAL   1          HG22      VAL   1   4.353   5.344   5.264
   11   HG23  VAL   1          HG23      VAL   1   5.575   6.510   4.774
   12    H    PHE   2           HN       PHE   2   6.177   5.488   7.372
   13    HA   PHE   2           HA       PHE   2   8.932   5.363   7.677
   14    HB2  PHE   2           HB2      PHE   2   8.519   2.863   6.997
   15    HB3  PHE   2           HB1      PHE   2   7.836   3.495   8.494
   16    HD1  PHE   2           HD1      PHE   2   7.071   2.839   4.904
   17    HD2  PHE   2           HD2      PHE   2   5.476   3.574   8.827
   18    HE1  PHE   2           HE1      PHE   2   4.794   2.326   4.077
   19    HE2  PHE   2           HE2      PHE   2   3.203   3.058   7.993
   20    HZ   PHE   2           HZ       PHE   2   2.856   2.432   5.624
   21    H    GLN   3           HN       GLN   3   7.010   5.145   4.752
   22    HA   GLN   3           HA       GLN   3   8.813   4.024   2.984
   23    HB2  GLN   3           HB2      GLN   3   6.966   6.352   2.409
   24    HB3  GLN   3           HB1      GLN   3   7.710   5.310   1.205
   25    HG2  GLN   3           HG2      GLN   3   6.544   3.357   2.169
   26    HG3  GLN   3           HG1      GLN   3   5.789   4.406   3.369
   27   HE21  GLN   3          HE21      GLN   3   3.897   3.211   1.979
   28   HE22  GLN   3          HE22      GLN   3   3.277   4.158   0.720
   29    H    PHE   4           HN       PHE   4   8.735   7.387   4.154
   30    HA   PHE   4           HA       PHE   4  10.754   8.367   2.425
   31    HB2  PHE   4           HB2      PHE   4  10.067   9.246   5.244
   32    HB3  PHE   4           HB1      PHE   4  11.038  10.160   4.095
   33    HD1  PHE   4           HD1      PHE   4   8.258  10.797   5.498
   34    HD2  PHE   4           HD2      PHE   4   9.396   9.440   1.580
   35    HE1  PHE   4           HE1      PHE   4   6.199  11.807   4.539
   36    HE2  PHE   4           HE2      PHE   4   7.346  10.445   0.634
   37    HZ   PHE   4           HZ       PHE   4   5.747  11.634   2.104
   38    H    LEU   5           HN       LEU   5  10.859   6.930   5.636
   39    HA   LEU   5           HA       LEU   5  13.682   7.068   5.918
   40    HB2  LEU   5           HB2      LEU   5  12.333   4.882   7.355
   41    HB3  LEU   5           HB1      LEU   5  13.326   6.200   7.980
   42    HG   LEU   5           HG       LEU   5  10.431   6.442   7.099
   43   HD11  LEU   5          HD11      LEU   5  10.093   6.891   9.563
   44   HD12  LEU   5          HD12      LEU   5  11.733   6.292   9.819
   45   HD13  LEU   5          HD13      LEU   5  10.499   5.225   9.149
   46   HD21  LEU   5          HD21      LEU   5  11.909   8.513   8.703
   47   HD22  LEU   5          HD22      LEU   5  10.529   8.713   7.635
   48   HD23  LEU   5          HD23      LEU   5  12.134   8.476   6.956
   49    H    GLY   6           HN       GLY   6  11.425   4.728   4.645
   50    HA2  GLY   6           HA2      GLY   6  13.027   2.470   4.449
   51    HA3  GLY   6           HA1      GLY   6  11.703   2.852   3.357
   52    H    LYS   7           HN       LYS   7  12.709   5.152   2.083
   53    HA   LYS   7           HA       LYS   7  14.489   3.914   0.242
   54    HB2  LYS   7           HB2      LYS   7  14.646   6.280  -0.748
   55    HB3  LYS   7           HB1      LYS   7  13.087   5.477  -0.780
   56    HG2  LYS   7           HG2      LYS   7  12.513   7.590   0.004
   57    HG3  LYS   7           HG1      LYS   7  12.702   6.693   1.506
   58    HD2  LYS   7           HD2      LYS   7  13.864   8.817   1.700
   59    HD3  LYS   7           HD1      LYS   7  15.056   7.528   1.651
   60    HE2  LYS   7           HE2      LYS   7  14.420   8.419  -1.036
   61    HE3  LYS   7           HE1      LYS   7  14.940   9.774  -0.040
   62    HZ1  LYS   7           HZ1      LYS   7  16.981   8.814   0.370
   63    HZ2  LYS   7           HZ2      LYS   7  16.702   8.373  -1.246
   64    HZ3  LYS   7           HZ3      LYS   7  16.457   7.246  -0.001
   65    H    ILE   8           HN       ILE   8  14.918   5.880   3.056
   66    HA   ILE   8           HA       ILE   8  17.519   6.834   2.506
   67    HB   ILE   8           HB       ILE   8  16.280   6.201   5.196
   68   HG12  ILE   8          HG12      ILE   8  15.066   7.834   3.615
   69   HG13  ILE   8          HG11      ILE   8  15.475   8.445   5.216
   70   HG21  ILE   8          HG21      ILE   8  18.739   7.719   4.323
   71   HG22  ILE   8          HG22      ILE   8  18.590   6.504   5.593
   72   HG23  ILE   8          HG23      ILE   8  17.920   8.116   5.833
   73   HD11  ILE   8          HD11      ILE   8  16.032  10.000   3.260
   74   HD12  ILE   8          HD12      ILE   8  17.283   8.837   2.816
   75   HD13  ILE   8          HD13      ILE   8  17.361   9.661   4.370
   76    H    ILE   9           HN       ILE   9  16.479   4.013   4.446
   77    HA   ILE   9           HA       ILE   9  19.133   3.016   4.763
   78    HB   ILE   9           HB       ILE   9  17.794   0.856   5.351
   79   HG12  ILE   9          HG12      ILE   9  15.473   2.555   5.954
   80   HG13  ILE   9          HG11      ILE   9  15.719   2.322   4.227
   81   HG21  ILE   9          HG21      ILE   9  18.825   2.403   6.991
   82   HG22  ILE   9          HG22      ILE   9  17.279   1.780   7.562
   83   HG23  ILE   9          HG23      ILE   9  17.385   3.418   6.921
   84   HD11  ILE   9          HD11      ILE   9  15.336   0.201   6.341
   85   HD12  ILE   9          HD12      ILE   9  15.968  -0.174   4.737
   86   HD13  ILE   9          HD13      ILE   9  14.344   0.501   4.915
   87    H    HIS  10           HN       HIS  10  16.527   2.392   2.526
   88    HA   HIS  10           HA       HIS  10  17.486   0.097   1.261
   89    HB2  HIS  10           HB2      HIS  10  15.229   0.932   0.891
   90    HB3  HIS  10           HB1      HIS  10  15.867   2.375   0.106
   91    HD2  HIS  10           HD2      HIS  10  17.476  -1.074  -0.842
   92    HE1  HIS  10           HE1      HIS  10  15.135   0.212  -4.111
   93    HE2  HIS  10           HE2      HIS  10  16.825  -1.515  -3.331
   94    H    HIS  11           HN       HIS  11  18.412   3.484   0.778
   95    HA   HIS  11           HA       HIS  11  19.820   3.029  -1.667
   96    HB2  HIS  11           HB2      HIS  11  19.615   5.224   0.333
   97    HB3  HIS  11           HB1      HIS  11  21.075   5.192  -0.653
   98    HD2  HIS  11           HD2      HIS  11  17.257   4.629  -1.708
   99    HE1  HIS  11           HE1      HIS  11  19.065   7.365  -4.364
  100    HE2  HIS  11           HE2      HIS  11  16.916   6.132  -3.813
  101    H    VAL  12           HN       VAL  12  20.708   3.190   1.710
  102    HA   VAL  12           HA       VAL  12  23.459   2.725   1.375
  103    HB   VAL  12           HB       VAL  12  22.285   1.822   3.888
  104   HG11  VAL  12          HG11      VAL  12  23.853   3.437   4.788
  105   HG12  VAL  12          HG12      VAL  12  24.027   4.200   3.208
  106   HG13  VAL  12          HG13      VAL  12  24.647   2.571   3.472
  107   HG21  VAL  12          HG21      VAL  12  21.552   4.550   2.782
  108   HG22  VAL  12          HG22      VAL  12  21.510   4.169   4.501
  109   HG23  VAL  12          HG23      VAL  12  20.459   3.304   3.385
  110    H    GLY  13           HN       GLY  13  20.705   0.681   2.131
  111    HA2  GLY  13           HA2      GLY  13  22.039  -1.771   2.489
  112    HA3  GLY  13           HA1      GLY  13  20.361  -1.586   2.000
  113    H    ASN  14           HN       ASN  14  20.799  -0.160  -0.392
  114    HA   ASN  14           HA       ASN  14  21.042  -2.220  -2.235
  115    HB2  ASN  14           HB2      ASN  14  20.286  -0.589  -3.566
  116    HB3  ASN  14           HB1      ASN  14  20.618   0.598  -2.313
  117   HD21  ASN  14          HD21      ASN  14  22.704   1.731  -2.388
  118   HD22  ASN  14          HD22      ASN  14  23.634   1.737  -3.812
  119    H    PHE  15           HN       PHE  15  23.576  -0.191  -0.826
  120    HA   PHE  15           HA       PHE  15  25.555  -1.004  -2.738
  121    HB2  PHE  15           HB2      PHE  15  25.684   0.392  -0.067
  122    HB3  PHE  15           HB1      PHE  15  27.136  -0.048  -0.963
  123    HD1  PHE  15           HD1      PHE  15  26.800   0.516  -3.671
  124    HD2  PHE  15           HD2      PHE  15  25.020   2.590  -0.361
  125    HE1  PHE  15           HE1      PHE  15  26.507   2.526  -5.096
  126    HE2  PHE  15           HE2      PHE  15  24.729   4.600  -1.780
  127    HZ   PHE  15           HZ       PHE  15  25.465   4.567  -4.149
  128    H    VAL  16           HN       VAL  16  24.717  -1.828   0.556
  129    HA   VAL  16           HA       VAL  16  26.687  -3.754   1.032
  130    HB   VAL  16           HB       VAL  16  24.044  -4.197   2.243
  131   HG11  VAL  16          HG11      VAL  16  26.800  -3.539   3.317
  132   HG12  VAL  16          HG12      VAL  16  26.109  -5.153   3.153
  133   HG13  VAL  16          HG13      VAL  16  25.415  -4.014   4.304
  134   HG21  VAL  16          HG21      VAL  16  23.789  -1.834   1.905
  135   HG22  VAL  16          HG22      VAL  16  25.442  -1.517   2.428
  136   HG23  VAL  16          HG23      VAL  16  24.235  -2.073   3.589
  137    H    HIS  17           HN       HIS  17  23.411  -3.953  -0.244
  138    HA   HIS  17           HA       HIS  17  23.431  -6.770  -0.663
  139    HB2  HIS  17           HB2      HIS  17  21.761  -4.578  -1.913
  140    HB3  HIS  17           HB1      HIS  17  21.407  -6.302  -1.980
  141    HD2  HIS  17           HD2      HIS  17  22.549  -6.015   1.494
  142    HE1  HIS  17           HE1      HIS  17  18.555  -4.654   1.725
  143    HE2  HIS  17           HE2      HIS  17  20.562  -5.430   3.088
  144    H    GLY  18           HN       GLY  18  24.010  -3.900  -2.661
  145    HA2  GLY  18           HA2      GLY  18  24.381  -5.174  -5.134
  146    HA3  GLY  18           HA1      GLY  18  25.096  -3.633  -4.672
  147    H    PHE  19           HN       PHE  19  26.618  -4.587  -2.462
  148    HA   PHE  19           HA       PHE  19  29.017  -5.301  -3.700
  149    HB2  PHE  19           HB2      PHE  19  28.022  -5.121  -0.945
  150    HB3  PHE  19           HB1      PHE  19  29.291  -6.324  -1.153
  151    HD1  PHE  19           HD1      PHE  19  31.370  -5.529  -2.616
  152    HD2  PHE  19           HD2      PHE  19  28.625  -2.892  -0.614
  153    HE1  PHE  19           HE1      PHE  19  33.053  -3.717  -2.692
  154    HE2  PHE  19           HE2      PHE  19  30.318  -1.076  -0.695
  155    HZ   PHE  19           HZ       PHE  19  32.532  -1.490  -1.732
  156    H    SER  20           HN       SER  20  26.565  -7.282  -2.139
  157    HA   SER  20           HA       SER  20  27.805  -9.787  -2.342
  158    HB2  SER  20           HB2      SER  20  24.900  -9.772  -2.828
  159    HB3  SER  20           HB1      SER  20  25.823 -10.598  -1.574
  160    HG   SER  20           HG       SER  20  24.663  -8.066  -1.614
  161    H    HIS  21           HN       HIS  21  25.707  -8.036  -4.565
  162    HA   HIS  21           HA       HIS  21  25.540  -9.940  -6.617
  163    HB2  HIS  21           HB2      HIS  21  24.319  -7.655  -6.362
  164    HB3  HIS  21           HB1      HIS  21  25.733  -6.989  -7.176
  165    HD2  HIS  21           HD2      HIS  21  24.292 -10.487  -8.280
  166    HE1  HIS  21           HE1      HIS  21  23.506  -7.685 -11.350
  167    HE2  HIS  21           HE2      HIS  21  23.404 -10.153 -10.722
  168    H    VAL  22           HN       VAL  22  27.856  -7.321  -6.047
  169    HA   VAL  22           HA       VAL  22  29.486  -7.852  -8.319
  170    HB   VAL  22           HB       VAL  22  30.264  -6.538  -5.698
  171   HG11  VAL  22          HG11      VAL  22  31.792  -5.290  -7.437
  172   HG12  VAL  22          HG12      VAL  22  31.502  -6.715  -8.435
  173   HG13  VAL  22          HG13      VAL  22  32.268  -6.891  -6.859
  174   HG21  VAL  22          HG21      VAL  22  28.841  -4.882  -6.287
  175   HG22  VAL  22          HG22      VAL  22  28.425  -5.718  -7.781
  176   HG23  VAL  22          HG23      VAL  22  29.805  -4.626  -7.741
  177    H    PHE  23           HN       PHE  23  29.768  -8.707  -4.881
  178    HA   PHE  23           HA       PHE  23  32.144 -10.152  -4.959
  179    HB2  PHE  23           HB2      PHE  23  30.459  -9.542  -2.988
  180    HB3  PHE  23           HB1      PHE  23  29.907 -11.193  -3.278
  181    HD1  PHE  23           HD1      PHE  23  31.089 -12.993  -2.339
  182    HD2  PHE  23           HD2      PHE  23  33.017  -9.176  -2.761
  183    HE1  PHE  23           HE1      PHE  23  33.049 -13.844  -1.080
  184    HE2  PHE  23           HE2      PHE  23  34.975 -10.021  -1.506
  185    HZ   PHE  23           HZ       PHE  23  34.992 -12.354  -0.660
  186    HN1  NH2  24           H1       PHE  23  28.815 -11.416  -5.514
  187    HN2  NH2  24           H2       PHE  23  29.340 -12.833  -6.288
  Start of MODEL    2
    1    H1   VAL   1           HT1      VAL   1   6.259   8.981   5.569
    2    H2   VAL   1           HT2      VAL   1   5.070   8.545   6.695
    3    H3   VAL   1           HT3      VAL   1   5.840   7.349   5.774
    4    HA   VAL   1           HA       VAL   1   7.503   9.078   7.442
    5    HB   VAL   1           HB       VAL   1   5.829   6.763   8.483
    6   HG11  VAL   1          HG11      VAL   1   8.162   8.302   9.629
    7   HG12  VAL   1          HG12      VAL   1   7.918   6.554   9.568
    8   HG13  VAL   1          HG13      VAL   1   6.967   7.538  10.683
    9   HG21  VAL   1          HG21      VAL   1   5.839   9.742   9.023
   10   HG22  VAL   1          HG22      VAL   1   5.076   8.582  10.107
   11   HG23  VAL   1          HG23      VAL   1   4.495   8.758   8.454
   12    H    PHE   2           HN       PHE   2   6.873   5.585   7.466
   13    HA   PHE   2           HA       PHE   2   9.552   4.854   7.238
   14    HB2  PHE   2           HB2      PHE   2   8.273   2.692   6.158
   15    HB3  PHE   2           HB1      PHE   2   8.476   2.984   7.884
   16    HD1  PHE   2           HD1      PHE   2   6.610   3.556   9.273
   17    HD2  PHE   2           HD2      PHE   2   6.178   3.414   5.008
   18    HE1  PHE   2           HE1      PHE   2   4.146   3.717   9.517
   19    HE2  PHE   2           HE2      PHE   2   3.722   3.571   5.245
   20    HZ   PHE   2           HZ       PHE   2   2.700   3.723   7.496
   21    H    GLN   3           HN       GLN   3   7.193   5.530   4.747
   22    HA   GLN   3           HA       GLN   3   8.499   4.442   2.523
   23    HB2  GLN   3           HB2      GLN   3   7.017   7.073   2.459
   24    HB3  GLN   3           HB1      GLN   3   7.181   5.884   1.168
   25    HG2  GLN   3           HG2      GLN   3   5.096   5.278   1.906
   26    HG3  GLN   3           HG1      GLN   3   6.051   4.311   3.030
   27   HE21  GLN   3          HE21      GLN   3   3.456   6.323   3.005
   28   HE22  GLN   3          HE22      GLN   3   3.596   7.006   4.553
   29    H    PHE   4           HN       PHE   4   9.238   7.276   4.412
   30    HA   PHE   4           HA       PHE   4  11.063   8.370   2.432
   31    HB2  PHE   4           HB2      PHE   4   9.728   9.730   4.123
   32    HB3  PHE   4           HB1      PHE   4  10.827   9.116   5.352
   33    HD1  PHE   4           HD1      PHE   4  13.349   9.453   4.972
   34    HD2  PHE   4           HD2      PHE   4  10.337  11.629   2.815
   35    HE1  PHE   4           HE1      PHE   4  15.013  11.198   4.407
   36    HE2  PHE   4           HE2      PHE   4  12.005  13.375   2.252
   37    HZ   PHE   4           HZ       PHE   4  14.350  13.160   3.051
   38    H    LEU   5           HN       LEU   5  11.454   7.221   5.777
   39    HA   LEU   5           HA       LEU   5  14.244   6.946   5.675
   40    HB2  LEU   5           HB2      LEU   5  13.275   4.966   7.441
   41    HB3  LEU   5           HB1      LEU   5  13.883   6.564   7.843
   42    HG   LEU   5           HG       LEU   5  11.023   6.172   6.961
   43   HD11  LEU   5          HD11      LEU   5  12.127   5.994   9.777
   44   HD12  LEU   5          HD12      LEU   5  11.387   4.675   8.866
   45   HD13  LEU   5          HD13      LEU   5  10.414   6.063   9.358
   46   HD21  LEU   5          HD21      LEU   5  12.074   8.208   8.911
   47   HD22  LEU   5          HD22      LEU   5  10.687   8.325   7.831
   48   HD23  LEU   5          HD23      LEU   5  12.322   8.453   7.184
   49    H    GLY   6           HN       GLY   6  11.657   4.662   4.998
   50    HA2  GLY   6           HA2      GLY   6  13.130   2.328   4.648
   51    HA3  GLY   6           HA1      GLY   6  11.621   2.699   3.827
   52    H    LYS   7           HN       LYS   7  12.427   4.924   2.304
   53    HA   LYS   7           HA       LYS   7  13.751   3.574   0.176
   54    HB2  LYS   7           HB2      LYS   7  12.455   5.079  -0.870
   55    HB3  LYS   7           HB1      LYS   7  12.319   6.080   0.567
   56    HG2  LYS   7           HG2      LYS   7  14.895   6.086  -0.971
   57    HG3  LYS   7           HG1      LYS   7  13.529   7.011  -1.579
   58    HD2  LYS   7           HD2      LYS   7  13.411   7.817   0.963
   59    HD3  LYS   7           HD1      LYS   7  15.126   7.410   0.906
   60    HE2  LYS   7           HE2      LYS   7  14.772   9.769   0.303
   61    HE3  LYS   7           HE1      LYS   7  15.412   8.868  -1.067
   62    HZ1  LYS   7           HZ1      LYS   7  13.625   9.409  -2.239
   63    HZ2  LYS   7           HZ2      LYS   7  13.050  10.339  -0.941
   64    HZ3  LYS   7           HZ3      LYS   7  12.601   8.710  -1.084
   65    H    ILE   8           HN       ILE   8  14.704   5.705   2.747
   66    HA   ILE   8           HA       ILE   8  17.238   6.464   1.676
   67    HB   ILE   8           HB       ILE   8  16.309   6.338   4.563
   68   HG12  ILE   8          HG12      ILE   8  15.062   7.838   2.854
   69   HG13  ILE   8          HG11      ILE   8  15.630   8.586   4.343
   70   HG21  ILE   8          HG21      ILE   8  18.148   8.147   4.744
   71   HG22  ILE   8          HG22      ILE   8  18.748   7.495   3.219
   72   HG23  ILE   8          HG23      ILE   8  18.658   6.461   4.647
   73   HD11  ILE   8          HD11      ILE   8  17.110   8.631   1.699
   74   HD12  ILE   8          HD12      ILE   8  17.614   9.428   3.189
   75   HD13  ILE   8          HD13      ILE   8  16.158   9.962   2.354
   76    H    ILE   9           HN       ILE   9  16.329   4.068   4.173
   77    HA   ILE   9           HA       ILE   9  18.893   2.956   4.492
   78    HB   ILE   9           HB       ILE   9  17.551   0.867   5.209
   79   HG12  ILE   9          HG12      ILE   9  15.170   2.332   5.765
   80   HG13  ILE   9          HG11      ILE   9  15.486   2.451   4.039
   81   HG21  ILE   9          HG21      ILE   9  16.941   3.480   6.604
   82   HG22  ILE   9          HG22      ILE   9  18.504   2.674   6.696
   83   HG23  ILE   9          HG23      ILE   9  17.065   1.885   7.342
   84   HD11  ILE   9          HD11      ILE   9  15.842  -0.055   4.016
   85   HD12  ILE   9          HD12      ILE   9  14.189   0.450   4.371
   86   HD13  ILE   9          HD13      ILE   9  15.251  -0.081   5.679
   87    H    HIS  10           HN       HIS  10  16.354   2.348   2.221
   88    HA   HIS  10           HA       HIS  10  17.200  -0.051   1.086
   89    HB2  HIS  10           HB2      HIS  10  15.064   1.399   0.642
   90    HB3  HIS  10           HB1      HIS  10  16.043   2.125  -0.628
   91    HD2  HIS  10           HD2      HIS  10  17.245  -1.378  -0.655
   92    HE1  HIS  10           HE1      HIS  10  13.783  -1.511  -3.064
   93    HE2  HIS  10           HE2      HIS  10  15.876  -2.778  -2.379
   94    H    HIS  11           HN       HIS  11  18.344   3.257   0.514
   95    HA   HIS  11           HA       HIS  11  19.882   2.581  -1.816
   96    HB2  HIS  11           HB2      HIS  11  19.662   4.936   0.008
   97    HB3  HIS  11           HB1      HIS  11  21.129   4.785  -0.954
   98    HD2  HIS  11           HD2      HIS  11  17.239   4.533  -1.831
   99    HE1  HIS  11           HE1      HIS  11  19.289   6.489  -4.972
  100    HE2  HIS  11           HE2      HIS  11  17.003   5.694  -4.165
  101    H    VAL  12           HN       VAL  12  20.443   2.875   1.605
  102    HA   VAL  12           HA       VAL  12  23.211   2.356   1.631
  103    HB   VAL  12           HB       VAL  12  21.558   1.503   3.933
  104   HG11  VAL  12          HG11      VAL  12  24.070   1.861   3.906
  105   HG12  VAL  12          HG12      VAL  12  23.211   2.777   5.146
  106   HG13  VAL  12          HG13      VAL  12  23.744   3.578   3.671
  107   HG21  VAL  12          HG21      VAL  12  21.089   3.942   4.477
  108   HG22  VAL  12          HG22      VAL  12  20.135   3.288   3.151
  109   HG23  VAL  12          HG23      VAL  12  21.519   4.321   2.809
  110    H    GLY  13           HN       GLY  13  20.364   0.320   2.124
  111    HA2  GLY  13           HA2      GLY  13  21.712  -2.125   2.547
  112    HA3  GLY  13           HA1      GLY  13  20.064  -1.964   1.946
  113    H    ASN  14           HN       ASN  14  20.575  -0.499  -0.363
  114    HA   ASN  14           HA       ASN  14  21.100  -2.499  -2.240
  115    HB2  ASN  14           HB2      ASN  14  20.188  -0.922  -3.539
  116    HB3  ASN  14           HB1      ASN  14  20.410   0.283  -2.276
  117   HD21  ASN  14          HD21      ASN  14  22.609   1.364  -2.212
  118   HD22  ASN  14          HD22      ASN  14  23.448   1.553  -3.681
  119    H    PHE  15           HN       PHE  15  23.273  -0.310  -0.575
  120    HA   PHE  15           HA       PHE  15  25.474  -0.633  -2.367
  121    HB2  PHE  15           HB2      PHE  15  24.995   0.628   0.255
  122    HB3  PHE  15           HB1      PHE  15  26.598  -0.078   0.093
  123    HD1  PHE  15           HD1      PHE  15  24.312   2.524  -1.111
  124    HD2  PHE  15           HD2      PHE  15  28.153   0.687  -1.654
  125    HE1  PHE  15           HE1      PHE  15  25.037   4.457  -2.481
  126    HE2  PHE  15           HE2      PHE  15  28.885   2.620  -3.029
  127    HZ   PHE  15           HZ       PHE  15  27.326   4.507  -3.439
  128    H    VAL  16           HN       VAL  16  24.422  -2.076   0.636
  129    HA   VAL  16           HA       VAL  16  26.546  -3.915   0.925
  130    HB   VAL  16           HB       VAL  16  23.924  -4.652   2.021
  131   HG11  VAL  16          HG11      VAL  16  25.184  -4.995   3.983
  132   HG12  VAL  16          HG12      VAL  16  26.396  -3.803   3.516
  133   HG13  VAL  16          HG13      VAL  16  26.334  -5.364   2.700
  134   HG21  VAL  16          HG21      VAL  16  24.015  -2.696   3.650
  135   HG22  VAL  16          HG22      VAL  16  23.485  -2.301   2.022
  136   HG23  VAL  16          HG23      VAL  16  25.128  -1.921   2.525
  137    H    HIS  17           HN       HIS  17  23.232  -4.205  -0.270
  138    HA   HIS  17           HA       HIS  17  23.471  -6.912  -1.067
  139    HB2  HIS  17           HB2      HIS  17  21.513  -4.762  -1.387
  140    HB3  HIS  17           HB1      HIS  17  21.616  -5.798  -2.808
  141    HD2  HIS  17           HD2      HIS  17  22.395  -8.306  -0.256
  142    HE1  HIS  17           HE1      HIS  17  18.189  -8.041  -0.030
  143    HE2  HIS  17           HE2      HIS  17  20.214  -9.425   0.632
  144    H    GLY  18           HN       GLY  18  23.970  -3.833  -2.764
  145    HA2  GLY  18           HA2      GLY  18  24.535  -4.858  -5.315
  146    HA3  GLY  18           HA1      GLY  18  25.169  -3.342  -4.667
  147    H    PHE  19           HN       PHE  19  26.688  -4.090  -2.577
  148    HA   PHE  19           HA       PHE  19  29.093  -4.970  -3.713
  149    HB2  PHE  19           HB2      PHE  19  28.098  -4.439  -0.988
  150    HB3  PHE  19           HB1      PHE  19  29.396  -5.629  -1.067
  151    HD1  PHE  19           HD1      PHE  19  31.343  -4.951  -2.815
  152    HD2  PHE  19           HD2      PHE  19  28.739  -2.201  -0.789
  153    HE1  PHE  19           HE1      PHE  19  33.000  -3.139  -3.148
  154    HE2  PHE  19           HE2      PHE  19  30.398  -0.387  -1.122
  155    HZ   PHE  19           HZ       PHE  19  32.529  -0.858  -2.298
  156    H    SER  20           HN       SER  20  26.693  -6.684  -1.791
  157    HA   SER  20           HA       SER  20  27.912  -9.219  -1.815
  158    HB2  SER  20           HB2      SER  20  24.928  -8.835  -1.900
  159    HB3  SER  20           HB1      SER  20  25.852 -10.081  -1.065
  160    HG   SER  20           HG       SER  20  25.853  -7.282  -0.461
  161    H    HIS  21           HN       HIS  21  25.811  -7.576  -4.076
  162    HA   HIS  21           HA       HIS  21  25.360  -9.780  -5.807
  163    HB2  HIS  21           HB2      HIS  21  24.409  -7.197  -5.647
  164    HB3  HIS  21           HB1      HIS  21  25.416  -7.135  -7.089
  165    HD2  HIS  21           HD2      HIS  21  22.037  -7.214  -7.253
  166    HE1  HIS  21           HE1      HIS  21  22.697 -11.044  -8.906
  167    HE2  HIS  21           HE2      HIS  21  20.997  -9.171  -8.629
  168    H    VAL  22           HN       VAL  22  27.654  -7.067  -5.918
  169    HA   VAL  22           HA       VAL  22  28.976  -7.956  -8.276
  170    HB   VAL  22           HB       VAL  22  29.945  -6.120  -6.070
  171   HG11  VAL  22          HG11      VAL  22  31.458  -5.268  -7.882
  172   HG12  VAL  22          HG12      VAL  22  30.942  -6.625  -8.888
  173   HG13  VAL  22          HG13      VAL  22  31.824  -6.923  -7.384
  174   HG21  VAL  22          HG21      VAL  22  29.062  -4.332  -7.359
  175   HG22  VAL  22          HG22      VAL  22  27.792  -5.552  -7.410
  176   HG23  VAL  22          HG23      VAL  22  28.870  -5.343  -8.788
  177    H    PHE  23           HN       PHE  23  29.854  -8.172  -4.826
  178    HA   PHE  23           HA       PHE  23  32.074  -9.962  -5.477
  179    HB2  PHE  23           HB2      PHE  23  31.088  -8.806  -2.860
  180    HB3  PHE  23           HB1      PHE  23  32.465  -9.899  -2.996
  181    HD1  PHE  23           HD1      PHE  23  34.615  -9.040  -3.490
  182    HD2  PHE  23           HD2      PHE  23  31.130  -6.661  -4.319
  183    HE1  PHE  23           HE1      PHE  23  36.068  -7.120  -4.073
  184    HE2  PHE  23           HE2      PHE  23  32.588  -4.742  -4.903
  185    HZ   PHE  23           HZ       PHE  23  35.050  -4.962  -4.774
  186    HN1  NH2  24           H1       PHE  23  29.047 -10.703  -5.644
  187    HN2  NH2  24           H2       PHE  23  28.965 -12.160  -4.783
  Start of MODEL    3
    1    H1   VAL   1           HT1      VAL   1   5.639   9.881   5.891
    2    H2   VAL   1           HT2      VAL   1   5.325   8.416   5.098
    3    H3   VAL   1           HT3      VAL   1   6.874   9.104   5.049
    4    HA   VAL   1           HA       VAL   1   6.821   8.909   7.580
    5    HB   VAL   1           HB       VAL   1   5.475   6.700   8.085
    6   HG11  VAL   1          HG11      VAL   1   4.119   9.391   7.770
    7   HG12  VAL   1          HG12      VAL   1   5.068   8.866   9.159
    8   HG13  VAL   1          HG13      VAL   1   3.543   8.068   8.783
    9   HG21  VAL   1          HG21      VAL   1   3.745   7.895   5.902
   10   HG22  VAL   1          HG22      VAL   1   3.463   6.409   6.805
   11   HG23  VAL   1          HG23      VAL   1   4.781   6.490   5.637
   12    H    PHE   2           HN       PHE   2   6.232   5.663   6.955
   13    HA   PHE   2           HA       PHE   2   8.907   4.906   7.038
   14    HB2  PHE   2           HB2      PHE   2   7.546   2.873   5.612
   15    HB3  PHE   2           HB1      PHE   2   7.926   2.917   7.331
   16    HD1  PHE   2           HD1      PHE   2   5.340   3.470   4.790
   17    HD2  PHE   2           HD2      PHE   2   6.281   3.747   8.971
   18    HE1  PHE   2           HE1      PHE   2   2.933   3.717   5.317
   19    HE2  PHE   2           HE2      PHE   2   3.872   3.993   9.497
   20    HZ   PHE   2           HZ       PHE   2   2.193   3.971   7.670
   21    H    GLN   3           HN       GLN   3   6.827   5.409   4.247
   22    HA   GLN   3           HA       GLN   3   8.451   4.453   2.219
   23    HB2  GLN   3           HB2      GLN   3   6.634   6.873   2.228
   24    HB3  GLN   3           HB1      GLN   3   7.377   6.211   0.774
   25    HG2  GLN   3           HG2      GLN   3   5.676   4.553   2.647
   26    HG3  GLN   3           HG1      GLN   3   5.024   5.383   1.238
   27   HE21  GLN   3          HE21      GLN   3   5.600   4.567  -0.881
   28   HE22  GLN   3          HE22      GLN   3   6.377   3.072  -1.081
   29    H    PHE   4           HN       PHE   4   8.832   7.313   4.163
   30    HA   PHE   4           HA       PHE   4  10.753   8.564   2.417
   31    HB2  PHE   4           HB2      PHE   4   9.231   9.428   4.522
   32    HB3  PHE   4           HB1      PHE   4  10.815   9.270   5.277
   33    HD1  PHE   4           HD1      PHE   4   8.733  11.428   3.426
   34    HD2  PHE   4           HD2      PHE   4  12.833  10.206   3.795
   35    HE1  PHE   4           HE1      PHE   4   9.448  13.533   2.337
   36    HE2  PHE   4           HE2      PHE   4  13.547  12.316   2.706
   37    HZ   PHE   4           HZ       PHE   4  11.855  13.980   1.978
   38    H    LEU   5           HN       LEU   5  11.043   7.177   5.671
   39    HA   LEU   5           HA       LEU   5  13.873   7.023   5.616
   40    HB2  LEU   5           HB2      LEU   5  13.069   5.179   7.516
   41    HB3  LEU   5           HB1      LEU   5  13.384   6.888   7.797
   42    HG   LEU   5           HG       LEU   5  10.677   6.049   6.798
   43   HD11  LEU   5          HD11      LEU   5  11.501   5.997   9.708
   44   HD12  LEU   5          HD12      LEU   5  11.278   4.557   8.719
   45   HD13  LEU   5          HD13      LEU   5   9.914   5.625   9.046
   46   HD21  LEU   5          HD21      LEU   5  11.435   8.138   8.852
   47   HD22  LEU   5          HD22      LEU   5   9.974   8.051   7.870
   48   HD23  LEU   5          HD23      LEU   5  11.515   8.470   7.123
   49    H    GLY   6           HN       GLY   6  11.340   4.718   4.899
   50    HA2  GLY   6           HA2      GLY   6  12.716   2.333   4.981
   51    HA3  GLY   6           HA1      GLY   6  11.377   2.650   3.890
   52    H    LYS   7           HN       LYS   7  12.520   4.511   2.134
   53    HA   LYS   7           HA       LYS   7  14.142   2.738   0.594
   54    HB2  LYS   7           HB2      LYS   7  14.453   5.021  -0.792
   55    HB3  LYS   7           HB1      LYS   7  13.068   3.958  -0.971
   56    HG2  LYS   7           HG2      LYS   7  11.919   5.901  -0.621
   57    HG3  LYS   7           HG1      LYS   7  12.175   5.499   1.066
   58    HD2  LYS   7           HD2      LYS   7  13.979   6.993   1.286
   59    HD3  LYS   7           HD1      LYS   7  14.225   7.092  -0.455
   60    HE2  LYS   7           HE2      LYS   7  12.631   8.783   1.215
   61    HE3  LYS   7           HE1      LYS   7  12.906   8.914  -0.519
   62    HZ1  LYS   7           HZ1      LYS   7  10.543   8.678   0.128
   63    HZ2  LYS   7           HZ2      LYS   7  10.878   7.113   0.705
   64    HZ3  LYS   7           HZ3      LYS   7  11.070   7.479  -0.947
   65    H    ILE   8           HN       ILE   8  14.782   5.401   2.724
   66    HA   ILE   8           HA       ILE   8  17.416   5.976   1.902
   67    HB   ILE   8           HB       ILE   8  16.270   6.153   4.697
   68   HG12  ILE   8          HG12      ILE   8  14.978   7.368   2.884
   69   HG13  ILE   8          HG11      ILE   8  15.640   8.417   4.130
   70   HG21  ILE   8          HG21      ILE   8  18.630   7.502   3.351
   71   HG22  ILE   8          HG22      ILE   8  18.703   6.355   4.684
   72   HG23  ILE   8          HG23      ILE   8  17.998   7.951   4.932
   73   HD11  ILE   8          HD11      ILE   8  17.051   7.864   1.500
   74   HD12  ILE   8          HD12      ILE   8  17.479   9.071   2.709
   75   HD13  ILE   8          HD13      ILE   8  16.004   9.255   1.767
   76    H    ILE   9           HN       ILE   9  16.298   3.841   4.564
   77    HA   ILE   9           HA       ILE   9  18.842   2.834   5.232
   78    HB   ILE   9           HB       ILE   9  17.302   0.697   5.808
   79   HG12  ILE   9          HG12      ILE   9  15.220   2.720   6.320
   80   HG13  ILE   9          HG11      ILE   9  15.445   2.356   4.613
   81   HG21  ILE   9          HG21      ILE   9  18.288   1.701   7.635
   82   HG22  ILE   9          HG22      ILE   9  16.616   2.180   7.904
   83   HG23  ILE   9          HG23      ILE   9  17.750   3.316   7.181
   84   HD11  ILE   9          HD11      ILE   9  13.838   0.895   6.163
   85   HD12  ILE   9          HD12      ILE   9  15.353   0.049   6.488
   86   HD13  ILE   9          HD13      ILE   9  14.754   0.185   4.832
   87    H    HIS  10           HN       HIS  10  16.551   1.995   2.773
   88    HA   HIS  10           HA       HIS  10  17.797  -0.421   1.920
   89    HB2  HIS  10           HB2      HIS  10  15.416   0.151   1.445
   90    HB3  HIS  10           HB1      HIS  10  15.968   1.419   0.352
   91    HD2  HIS  10           HD2      HIS  10  18.066  -1.835   0.135
   92    HE1  HIS  10           HE1      HIS  10  15.396  -1.842  -3.140
   93    HE2  HIS  10           HE2      HIS  10  17.426  -2.989  -2.120
   94    H    HIS  11           HN       HIS  11  18.213   2.995   1.109
   95    HA   HIS  11           HA       HIS  11  19.713   2.579  -1.273
   96    HB2  HIS  11           HB2      HIS  11  19.219   4.853   0.588
   97    HB3  HIS  11           HB1      HIS  11  20.663   4.945  -0.417
   98    HD2  HIS  11           HD2      HIS  11  17.121   3.559  -1.586
   99    HE1  HIS  11           HE1      HIS  11  18.252   6.773  -4.090
  100    HE2  HIS  11           HE2      HIS  11  16.495   4.972  -3.696
  101    H    VAL  12           HN       VAL  12  20.517   2.985   2.113
  102    HA   VAL  12           HA       VAL  12  23.312   2.927   1.858
  103    HB   VAL  12           HB       VAL  12  22.203   1.700   4.270
  104   HG11  VAL  12          HG11      VAL  12  23.287   3.995   5.093
  105   HG12  VAL  12          HG12      VAL  12  24.017   3.936   3.490
  106   HG13  VAL  12          HG13      VAL  12  24.292   2.621   4.633
  107   HG21  VAL  12          HG21      VAL  12  21.141   3.931   4.967
  108   HG22  VAL  12          HG22      VAL  12  20.223   2.919   3.857
  109   HG23  VAL  12          HG23      VAL  12  21.105   4.318   3.242
  110    H    GLY  13           HN       GLY  13  20.898   0.444   2.482
  111    HA2  GLY  13           HA2      GLY  13  22.666  -1.773   2.599
  112    HA3  GLY  13           HA1      GLY  13  20.935  -1.857   2.291
  113    H    ASN  14           HN       ASN  14  20.902  -0.180   0.001
  114    HA   ASN  14           HA       ASN  14  21.250  -2.006  -2.064
  115    HB2  ASN  14           HB2      ASN  14  19.982   0.279  -2.008
  116    HB3  ASN  14           HB1      ASN  14  21.506   0.930  -2.603
  117   HD21  ASN  14          HD21      ASN  14  22.350  -1.196  -4.277
  118   HD22  ASN  14          HD22      ASN  14  21.252  -1.335  -5.563
  119    H    PHE  15           HN       PHE  15  23.592   0.225  -0.662
  120    HA   PHE  15           HA       PHE  15  25.467   0.013  -2.826
  121    HB2  PHE  15           HB2      PHE  15  25.449   1.177  -0.083
  122    HB3  PHE  15           HB1      PHE  15  27.022   0.709  -0.726
  123    HD1  PHE  15           HD1      PHE  15  28.184   2.374  -1.872
  124    HD2  PHE  15           HD2      PHE  15  23.893   2.378  -1.990
  125    HE1  PHE  15           HE1      PHE  15  28.224   4.429  -3.260
  126    HE2  PHE  15           HE2      PHE  15  23.929   4.431  -3.379
  127    HZ   PHE  15           HZ       PHE  15  26.099   5.459  -4.011
  128    H    VAL  16           HN       VAL  16  24.905  -1.452   0.278
  129    HA   VAL  16           HA       VAL  16  27.104  -3.230   0.288
  130    HB   VAL  16           HB       VAL  16  24.606  -3.937   1.725
  131   HG11  VAL  16          HG11      VAL  16  26.235  -4.181   3.574
  132   HG12  VAL  16          HG12      VAL  16  27.497  -3.524   2.534
  133   HG13  VAL  16          HG13      VAL  16  26.747  -5.073   2.139
  134   HG21  VAL  16          HG21      VAL  16  24.370  -1.565   1.888
  135   HG22  VAL  16          HG22      VAL  16  26.101  -1.328   2.089
  136   HG23  VAL  16          HG23      VAL  16  25.150  -2.049   3.389
  137    H    HIS  17           HN       HIS  17  23.741  -3.424  -0.663
  138    HA   HIS  17           HA       HIS  17  23.596  -6.145  -1.350
  139    HB2  HIS  17           HB2      HIS  17  21.594  -4.725  -1.241
  140    HB3  HIS  17           HB1      HIS  17  22.182  -3.775  -2.604
  141    HD2  HIS  17           HD2      HIS  17  21.354  -4.734  -5.031
  142    HE1  HIS  17           HE1      HIS  17  20.284  -8.632  -3.814
  143    HE2  HIS  17           HE2      HIS  17  20.305  -7.005  -5.772
  144    H    GLY  18           HN       GLY  18  24.589  -3.291  -3.200
  145    HA2  GLY  18           HA2      GLY  18  25.081  -4.587  -5.656
  146    HA3  GLY  18           HA1      GLY  18  25.845  -3.094  -5.117
  147    H    PHE  19           HN       PHE  19  27.209  -3.779  -2.925
  148    HA   PHE  19           HA       PHE  19  29.558  -4.972  -3.860
  149    HB2  PHE  19           HB2      PHE  19  29.509  -3.551  -1.864
  150    HB3  PHE  19           HB1      PHE  19  28.509  -4.733  -1.027
  151    HD1  PHE  19           HD1      PHE  19  29.700  -5.861   0.614
  152    HD2  PHE  19           HD2      PHE  19  31.632  -4.958  -3.116
  153    HE1  PHE  19           HE1      PHE  19  31.725  -7.062   1.377
  154    HE2  PHE  19           HE2      PHE  19  33.659  -6.163  -2.352
  155    HZ   PHE  19           HZ       PHE  19  33.708  -7.216  -0.111
  156    H    SER  20           HN       SER  20  26.810  -6.284  -2.122
  157    HA   SER  20           HA       SER  20  27.814  -8.934  -1.873
  158    HB2  SER  20           HB2      SER  20  24.879  -8.273  -1.984
  159    HB3  SER  20           HB1      SER  20  25.694  -9.514  -1.036
  160    HG   SER  20           HG       SER  20  26.069  -6.704  -0.682
  161    H    HIS  21           HN       HIS  21  25.858  -7.211  -4.214
  162    HA   HIS  21           HA       HIS  21  25.046  -9.337  -5.843
  163    HB2  HIS  21           HB2      HIS  21  24.645  -6.662  -5.891
  164    HB3  HIS  21           HB1      HIS  21  25.818  -6.807  -7.196
  165    HD2  HIS  21           HD2      HIS  21  22.519  -6.250  -7.776
  166    HE1  HIS  21           HE1      HIS  21  22.670 -10.165  -9.375
  167    HE2  HIS  21           HE2      HIS  21  21.323  -8.006  -9.315
  168    H    VAL  22           HN       VAL  22  28.056  -7.474  -5.784
  169    HA   VAL  22           HA       VAL  22  29.198  -8.477  -8.138
  170    HB   VAL  22           HB       VAL  22  30.696  -7.844  -5.581
  171   HG11  VAL  22          HG11      VAL  22  32.480  -7.197  -7.146
  172   HG12  VAL  22          HG12      VAL  22  31.444  -7.594  -8.516
  173   HG13  VAL  22          HG13      VAL  22  32.002  -8.869  -7.431
  174   HG21  VAL  22          HG21      VAL  22  30.824  -5.548  -6.948
  175   HG22  VAL  22          HG22      VAL  22  29.512  -5.872  -5.818
  176   HG23  VAL  22          HG23      VAL  22  29.263  -6.102  -7.548
  177    H    PHE  23           HN       PHE  23  29.127  -9.745  -4.841
  178    HA   PHE  23           HA       PHE  23  30.773 -12.020  -5.322
  179    HB2  PHE  23           HB2      PHE  23  28.802 -11.229  -3.201
  180    HB3  PHE  23           HB1      PHE  23  29.346 -12.903  -3.277
  181    HD1  PHE  23           HD1      PHE  23  30.311  -9.437  -2.594
  182    HD2  PHE  23           HD2      PHE  23  31.732 -13.475  -2.952
  183    HE1  PHE  23           HE1      PHE  23  32.416  -8.795  -1.460
  184    HE2  PHE  23           HE2      PHE  23  33.843 -12.830  -1.817
  185    HZ   PHE  23           HZ       PHE  23  34.185 -10.491  -1.071
  186    HN1  NH2  24           H1       PHE  23  27.450 -11.295  -6.116
  187    HN2  NH2  24           H2       PHE  23  27.042 -12.849  -6.665
  Start of MODEL    4
    1    H1   VAL   1           HT1      VAL   1   7.317  10.499   3.173
    2    H2   VAL   1           HT2      VAL   1   5.635  10.387   2.991
    3    H3   VAL   1           HT3      VAL   1   6.602   8.993   2.877
    4    HA   VAL   1           HA       VAL   1   6.675  10.583   5.327
    5    HB   VAL   1           HB       VAL   1   4.266  10.282   4.793
    6   HG11  VAL   1          HG11      VAL   1   4.103   8.364   3.460
    7   HG12  VAL   1          HG12      VAL   1   3.433   7.846   5.005
    8   HG13  VAL   1          HG13      VAL   1   5.076   7.392   4.565
    9   HG21  VAL   1          HG21      VAL   1   5.641   9.369   7.161
   10   HG22  VAL   1          HG22      VAL   1   4.164   8.431   6.937
   11   HG23  VAL   1          HG23      VAL   1   4.088  10.188   7.029
   12    H    PHE   2           HN       PHE   2   5.786   7.665   6.270
   13    HA   PHE   2           HA       PHE   2   8.277   6.800   7.118
   14    HB2  PHE   2           HB2      PHE   2   7.227   4.755   7.795
   15    HB3  PHE   2           HB1      PHE   2   6.030   6.033   7.996
   16    HD1  PHE   2           HD1      PHE   2   4.040   6.124   6.594
   17    HD2  PHE   2           HD2      PHE   2   7.109   3.195   5.894
   18    HE1  PHE   2           HE1      PHE   2   2.526   4.896   5.050
   19    HE2  PHE   2           HE2      PHE   2   5.600   1.976   4.358
   20    HZ   PHE   2           HZ       PHE   2   3.314   2.822   3.933
   21    H    GLN   3           HN       GLN   3   6.562   5.893   4.178
   22    HA   GLN   3           HA       GLN   3   8.125   3.737   3.393
   23    HB2  GLN   3           HB2      GLN   3   7.512   5.406   1.094
   24    HB3  GLN   3           HB1      GLN   3   6.925   3.798   1.499
   25    HG2  GLN   3           HG2      GLN   3   4.939   4.970   1.579
   26    HG3  GLN   3           HG1      GLN   3   5.448   5.181   3.254
   27   HE21  GLN   3          HE21      GLN   3   4.438   6.887   0.516
   28   HE22  GLN   3          HE22      GLN   3   5.023   8.421   0.949
   29    H    PHE   4           HN       PHE   4   8.965   7.111   3.485
   30    HA   PHE   4           HA       PHE   4  11.187   6.817   1.658
   31    HB2  PHE   4           HB2      PHE   4  10.651   9.037   3.649
   32    HB3  PHE   4           HB1      PHE   4  11.736   9.089   2.260
   33    HD1  PHE   4           HD1      PHE   4   9.611  11.138   2.526
   34    HD2  PHE   4           HD2      PHE   4   9.438   7.210   0.763
   35    HE1  PHE   4           HE1      PHE   4   7.752  11.865   1.056
   36    HE2  PHE   4           HE2      PHE   4   7.580   7.948  -0.696
   37    HZ   PHE   4           HZ       PHE   4   6.738  10.273  -0.546
   38    H    LEU   5           HN       LEU   5  10.615   6.818   5.100
   39    HA   LEU   5           HA       LEU   5  13.240   6.875   6.056
   40    HB2  LEU   5           HB2      LEU   5  10.772   5.499   7.144
   41    HB3  LEU   5           HB1      LEU   5  12.287   5.617   8.024
   42    HG   LEU   5           HG       LEU   5  10.406   7.407   8.426
   43   HD11  LEU   5          HD11      LEU   5  12.604   7.563   9.449
   44   HD12  LEU   5          HD12      LEU   5  12.162   9.143   8.812
   45   HD13  LEU   5          HD13      LEU   5  13.308   8.129   7.937
   46   HD21  LEU   5          HD21      LEU   5  10.057   8.011   6.079
   47   HD22  LEU   5          HD22      LEU   5  11.740   8.506   5.941
   48   HD23  LEU   5          HD23      LEU   5  10.642   9.396   6.989
   49    H    GLY   6           HN       GLY   6  11.242   4.244   4.855
   50    HA2  GLY   6           HA2      GLY   6  12.954   2.098   5.533
   51    HA3  GLY   6           HA1      GLY   6  11.741   2.084   4.255
   52    H    LYS   7           HN       LYS   7  12.782   4.240   2.715
   53    HA   LYS   7           HA       LYS   7  14.725   2.832   1.197
   54    HB2  LYS   7           HB2      LYS   7  13.738   4.138  -0.344
   55    HB3  LYS   7           HB1      LYS   7  13.100   5.222   0.884
   56    HG2  LYS   7           HG2      LYS   7  16.017   5.396   0.196
   57    HG3  LYS   7           HG1      LYS   7  14.837   6.095  -0.912
   58    HD2  LYS   7           HD2      LYS   7  13.859   7.391   0.951
   59    HD3  LYS   7           HD1      LYS   7  15.069   6.736   2.049
   60    HE2  LYS   7           HE2      LYS   7  15.386   8.740  -0.157
   61    HE3  LYS   7           HE1      LYS   7  16.082   8.738   1.457
   62    HZ1  LYS   7           HZ1      LYS   7  16.872   6.802  -0.650
   63    HZ2  LYS   7           HZ2      LYS   7  17.648   7.088   0.831
   64    HZ3  LYS   7           HZ3      LYS   7  17.680   8.268  -0.388
   65    H    ILE   8           HN       ILE   8  14.862   5.329   3.629
   66    HA   ILE   8           HA       ILE   8  17.422   6.349   3.190
   67    HB   ILE   8           HB       ILE   8  16.097   5.796   5.861
   68   HG12  ILE   8          HG12      ILE   8  14.825   7.236   4.151
   69   HG13  ILE   8          HG11      ILE   8  15.158   7.998   5.701
   70   HG21  ILE   8          HG21      ILE   8  17.689   8.106   5.998
   71   HG22  ILE   8          HG22      ILE   8  18.673   6.945   5.116
   72   HG23  ILE   8          HG23      ILE   8  18.057   6.539   6.715
   73   HD11  ILE   8          HD11      ILE   8  17.037   8.309   3.356
   74   HD12  ILE   8          HD12      ILE   8  16.926   9.306   4.804
   75   HD13  ILE   8          HD13      ILE   8  15.658   9.386   3.580
   76    H    ILE   9           HN       ILE   9  16.505   3.616   5.311
   77    HA   ILE   9           HA       ILE   9  19.229   2.838   5.743
   78    HB   ILE   9           HB       ILE   9  17.947   0.659   6.541
   79   HG12  ILE   9          HG12      ILE   9  15.704   2.444   7.183
   80   HG13  ILE   9          HG11      ILE   9  15.823   2.091   5.462
   81   HG21  ILE   9          HG21      ILE   9  17.369   1.981   8.682
   82   HG22  ILE   9          HG22      ILE   9  18.003   3.388   7.827
   83   HG23  ILE   9          HG23      ILE   9  19.048   2.003   8.143
   84   HD11  ILE   9          HD11      ILE   9  15.776  -0.285   5.874
   85   HD12  ILE   9          HD12      ILE   9  14.430   0.444   6.746
   86   HD13  ILE   9          HD13      ILE   9  15.888  -0.027   7.616
   87    H    HIS  10           HN       HIS  10  16.661   1.853   3.610
   88    HA   HIS  10           HA       HIS  10  17.870  -0.502   2.621
   89    HB2  HIS  10           HB2      HIS  10  15.425   0.242   2.444
   90    HB3  HIS  10           HB1      HIS  10  15.946   1.207   1.065
   91    HD2  HIS  10           HD2      HIS  10  17.840  -2.130   1.206
   92    HE1  HIS  10           HE1      HIS  10  14.641  -2.695  -1.485
   93    HE2  HIS  10           HE2      HIS  10  16.787  -3.709  -0.583
   94    H    HIS  11           HN       HIS  11  18.142   2.888   1.610
   95    HA   HIS  11           HA       HIS  11  19.332   2.354  -0.914
   96    HB2  HIS  11           HB2      HIS  11  19.020   4.710   0.864
   97    HB3  HIS  11           HB1      HIS  11  20.339   4.774  -0.308
   98    HD2  HIS  11           HD2      HIS  11  17.397   2.778  -1.727
   99    HE1  HIS  11           HE1      HIS  11  16.985   6.696  -3.245
  100    HE2  HIS  11           HE2      HIS  11  16.171   4.300  -3.460
  101    H    VAL  12           HN       VAL  12  20.585   2.869   2.305
  102    HA   VAL  12           HA       VAL  12  23.312   2.935   1.648
  103    HB   VAL  12           HB       VAL  12  22.624   1.774   4.240
  104   HG11  VAL  12          HG11      VAL  12  24.738   2.829   3.992
  105   HG12  VAL  12          HG12      VAL  12  23.771   3.961   4.937
  106   HG13  VAL  12          HG13      VAL  12  24.023   4.244   3.214
  107   HG21  VAL  12          HG21      VAL  12  21.280   4.319   3.306
  108   HG22  VAL  12          HG22      VAL  12  21.527   3.942   5.012
  109   HG23  VAL  12          HG23      VAL  12  20.519   2.897   4.014
  110    H    GLY  13           HN       GLY  13  21.172   0.353   2.713
  111    HA2  GLY  13           HA2      GLY  13  23.101  -1.730   2.678
  112    HA3  GLY  13           HA1      GLY  13  21.356  -1.943   2.682
  113    H    ASN  14           HN       ASN  14  20.810  -0.503   0.289
  114    HA   ASN  14           HA       ASN  14  20.947  -2.518  -1.626
  115    HB2  ASN  14           HB2      ASN  14  19.403  -0.569  -1.701
  116    HB3  ASN  14           HB1      ASN  14  20.758   0.444  -2.199
  117   HD21  ASN  14          HD21      ASN  14  21.225   0.478  -4.433
  118   HD22  ASN  14          HD22      ASN  14  20.559  -0.599  -5.562
  119    H    PHE  15           HN       PHE  15  23.316  -0.003  -0.920
  120    HA   PHE  15           HA       PHE  15  24.786  -0.366  -3.359
  121    HB2  PHE  15           HB2      PHE  15  25.388   0.983  -0.730
  122    HB3  PHE  15           HB1      PHE  15  26.626   0.810  -1.975
  123    HD1  PHE  15           HD1      PHE  15  23.881   2.769  -0.825
  124    HD2  PHE  15           HD2      PHE  15  25.987   1.616  -4.388
  125    HE1  PHE  15           HE1      PHE  15  22.937   4.729  -2.014
  126    HE2  PHE  15           HE2      PHE  15  25.043   3.580  -5.574
  127    HZ   PHE  15           HZ       PHE  15  23.520   5.136  -4.389
  128    H    VAL  16           HN       VAL  16  24.890  -1.556  -0.101
  129    HA   VAL  16           HA       VAL  16  27.271  -3.056  -0.317
  130    HB   VAL  16           HB       VAL  16  25.128  -3.942   1.522
  131   HG11  VAL  16          HG11      VAL  16  28.045  -3.187   1.725
  132   HG12  VAL  16          HG12      VAL  16  27.342  -4.800   1.826
  133   HG13  VAL  16          HG13      VAL  16  27.068  -3.638   3.124
  134   HG21  VAL  16          HG21      VAL  16  24.579  -1.608   1.512
  135   HG22  VAL  16          HG22      VAL  16  26.274  -1.133   1.522
  136   HG23  VAL  16          HG23      VAL  16  25.556  -1.873   2.954
  137    H    HIS  17           HN       HIS  17  23.852  -3.770  -0.667
  138    HA   HIS  17           HA       HIS  17  24.051  -6.534  -1.160
  139    HB2  HIS  17           HB2      HIS  17  21.966  -4.804  -0.933
  140    HB3  HIS  17           HB1      HIS  17  21.986  -5.041  -2.680
  141    HD2  HIS  17           HD2      HIS  17  20.351  -7.170  -3.283
  142    HE1  HIS  17           HE1      HIS  17  21.160  -9.553   0.109
  143    HE2  HIS  17           HE2      HIS  17  19.880  -9.447  -2.086
  144    H    GLY  18           HN       GLY  18  24.174  -3.724  -3.329
  145    HA2  GLY  18           HA2      GLY  18  24.355  -5.131  -5.762
  146    HA3  GLY  18           HA1      GLY  18  24.990  -3.509  -5.475
  147    H    PHE  19           HN       PHE  19  26.873  -3.898  -3.579
  148    HA   PHE  19           HA       PHE  19  29.092  -4.851  -5.023
  149    HB2  PHE  19           HB2      PHE  19  28.861  -3.279  -2.881
  150    HB3  PHE  19           HB1      PHE  19  29.176  -4.794  -2.040
  151    HD1  PHE  19           HD1      PHE  19  31.211  -6.183  -2.807
  152    HD2  PHE  19           HD2      PHE  19  30.641  -2.049  -3.827
  153    HE1  PHE  19           HE1      PHE  19  33.633  -5.970  -3.298
  154    HE2  PHE  19           HE2      PHE  19  33.063  -1.836  -4.320
  155    HZ   PHE  19           HZ       PHE  19  34.556  -3.798  -4.059
  156    H    SER  20           HN       SER  20  27.259  -6.240  -2.356
  157    HA   SER  20           HA       SER  20  28.681  -8.666  -2.155
  158    HB2  SER  20           HB2      SER  20  25.766  -8.324  -1.495
  159    HB3  SER  20           HB1      SER  20  26.940  -9.386  -0.719
  160    HG   SER  20           HG       SER  20  26.712  -6.557  -0.601
  161    H    HIS  21           HN       HIS  21  25.893  -7.676  -4.037
  162    HA   HIS  21           HA       HIS  21  25.112 -10.178  -5.044
  163    HB2  HIS  21           HB2      HIS  21  23.701  -8.251  -5.401
  164    HB3  HIS  21           HB1      HIS  21  24.981  -7.413  -6.271
  165    HD2  HIS  21           HD2      HIS  21  24.013 -11.155  -7.125
  166    HE1  HIS  21           HE1      HIS  21  23.031  -8.707 -10.422
  167    HE2  HIS  21           HE2      HIS  21  23.169 -11.107  -9.600
  168    H    VAL  22           HN       VAL  22  27.341  -7.754  -6.424
  169    HA   VAL  22           HA       VAL  22  28.197  -9.457  -8.564
  170    HB   VAL  22           HB       VAL  22  29.539  -7.013  -7.363
  171   HG11  VAL  22          HG11      VAL  22  30.580  -6.879  -9.650
  172   HG12  VAL  22          HG12      VAL  22  29.928  -8.481  -9.992
  173   HG13  VAL  22          HG13      VAL  22  31.122  -8.266  -8.710
  174   HG21  VAL  22          HG21      VAL  22  27.768  -7.228  -9.813
  175   HG22  VAL  22          HG22      VAL  22  28.387  -5.757  -9.066
  176   HG23  VAL  22          HG23      VAL  22  27.175  -6.725  -8.230
  177    H    PHE  23           HN       PHE  23  29.657  -8.441  -5.478
  178    HA   PHE  23           HA       PHE  23  31.312  -9.359  -4.188
  179    HB2  PHE  23           HB2      PHE  23  29.524 -11.412  -4.780
  180    HB3  PHE  23           HB1      PHE  23  31.095 -12.107  -5.169
  181    HD1  PHE  23           HD1      PHE  23  32.944 -10.950  -3.294
  182    HD2  PHE  23           HD2      PHE  23  28.857 -12.129  -2.653
  183    HE1  PHE  23           HE1      PHE  23  33.409 -11.247  -0.879
  184    HE2  PHE  23           HE2      PHE  23  29.330 -12.428  -0.236
  185    HZ   PHE  23           HZ       PHE  23  31.608 -11.982   0.653
  186    HN1  NH2  24           H1       PHE  23  32.310  -8.241  -6.570
  187    HN2  NH2  24           H2       PHE  23  33.610  -9.183  -7.122
  Start of MODEL    5
    1    H1   VAL   1           HT1      VAL   1   8.062  11.386   8.184
    2    H2   VAL   1           HT2      VAL   1   7.891  10.025   9.180
    3    H3   VAL   1           HT3      VAL   1   6.556  11.015   8.857
    4    HA   VAL   1           HA       VAL   1   6.095   9.412   7.381
    5    HB   VAL   1           HB       VAL   1   6.398  11.398   6.033
    6   HG11  VAL   1          HG11      VAL   1   8.827  11.565   4.931
    7   HG12  VAL   1          HG12      VAL   1   9.295  10.808   6.454
    8   HG13  VAL   1          HG13      VAL   1   8.450  12.351   6.462
    9   HG21  VAL   1          HG21      VAL   1   6.004   9.512   4.644
   10   HG22  VAL   1          HG22      VAL   1   7.650   8.921   4.833
   11   HG23  VAL   1          HG23      VAL   1   7.339  10.370   3.881
   12    H    PHE   2           HN       PHE   2   6.988   7.585   8.550
   13    HA   PHE   2           HA       PHE   2   9.629   6.684   8.378
   14    HB2  PHE   2           HB2      PHE   2   7.073   5.567   9.221
   15    HB3  PHE   2           HB1      PHE   2   8.119   4.355   8.476
   16    HD1  PHE   2           HD1      PHE   2   9.819   3.372   9.730
   17    HD2  PHE   2           HD2      PHE   2   8.236   7.175  10.944
   18    HE1  PHE   2           HE1      PHE   2  11.226   3.309  11.767
   19    HE2  PHE   2           HE2      PHE   2   9.642   7.108  12.984
   20    HZ   PHE   2           HZ       PHE   2  11.139   5.177  13.396
   21    H    GLN   3           HN       GLN   3   6.991   6.417   6.138
   22    HA   GLN   3           HA       GLN   3   7.880   4.370   4.469
   23    HB2  GLN   3           HB2      GLN   3   6.318   6.895   3.882
   24    HB3  GLN   3           HB1      GLN   3   6.674   5.700   2.636
   25    HG2  GLN   3           HG2      GLN   3   5.411   4.024   3.699
   26    HG3  GLN   3           HG1      GLN   3   5.432   4.860   5.245
   27   HE21  GLN   3          HE21      GLN   3   3.418   4.208   2.647
   28   HE22  GLN   3          HE22      GLN   3   2.357   5.521   2.813
   29    H    PHE   4           HN       PHE   4   9.067   7.607   4.917
   30    HA   PHE   4           HA       PHE   4  10.527   7.821   2.464
   31    HB2  PHE   4           HB2      PHE   4   9.835   9.712   4.049
   32    HB3  PHE   4           HB1      PHE   4  11.206   9.234   5.045
   33    HD1  PHE   4           HD1      PHE   4  10.142  10.745   1.882
   34    HD2  PHE   4           HD2      PHE   4  13.524   9.421   4.184
   35    HE1  PHE   4           HE1      PHE   4  11.664  12.019   0.391
   36    HE2  PHE   4           HE2      PHE   4  15.038  10.697   2.698
   37    HZ   PHE   4           HZ       PHE   4  14.112  12.000   0.806
   38    H    LEU   5           HN       LEU   5  11.345   6.817   5.751
   39    HA   LEU   5           HA       LEU   5  14.090   6.432   5.367
   40    HB2  LEU   5           HB2      LEU   5  12.551   4.554   7.110
   41    HB3  LEU   5           HB1      LEU   5  14.075   5.381   7.420
   42    HG   LEU   5           HG       LEU   5  11.295   6.577   7.458
   43   HD11  LEU   5          HD11      LEU   5  13.459   6.379   9.564
   44   HD12  LEU   5          HD12      LEU   5  12.000   5.387   9.492
   45   HD13  LEU   5          HD13      LEU   5  11.874   7.124   9.778
   46   HD21  LEU   5          HD21      LEU   5  13.070   8.522   8.337
   47   HD22  LEU   5          HD22      LEU   5  12.252   8.496   6.775
   48   HD23  LEU   5          HD23      LEU   5  13.879   7.833   6.927
   49    H    GLY   6           HN       GLY   6  11.344   4.483   4.476
   50    HA2  GLY   6           HA2      GLY   6  12.543   2.008   4.049
   51    HA3  GLY   6           HA1      GLY   6  11.159   2.616   3.148
   52    H    LYS   7           HN       LYS   7  12.274   4.755   1.762
   53    HA   LYS   7           HA       LYS   7  13.694   3.347  -0.272
   54    HB2  LYS   7           HB2      LYS   7  14.010   5.780  -1.211
   55    HB3  LYS   7           HB1      LYS   7  12.440   4.999  -1.274
   56    HG2  LYS   7           HG2      LYS   7  11.809   7.022  -0.383
   57    HG3  LYS   7           HG1      LYS   7  12.170   6.178   1.111
   58    HD2  LYS   7           HD2      LYS   7  13.471   8.067   1.456
   59    HD3  LYS   7           HD1      LYS   7  14.642   7.086   0.580
   60    HE2  LYS   7           HE2      LYS   7  14.456   9.412  -0.328
   61    HE3  LYS   7           HE1      LYS   7  14.069   8.174  -1.518
   62    HZ1  LYS   7           HZ1      LYS   7  11.861   8.674  -1.468
   63    HZ2  LYS   7           HZ2      LYS   7  12.515  10.212  -1.179
   64    HZ3  LYS   7           HZ3      LYS   7  11.897   9.287   0.107
   65    H    ILE   8           HN       ILE   8  14.550   5.308   2.433
   66    HA   ILE   8           HA       ILE   8  17.221   5.914   1.627
   67    HB   ILE   8           HB       ILE   8  16.091   5.732   4.436
   68   HG12  ILE   8          HG12      ILE   8  14.923   7.314   2.753
   69   HG13  ILE   8          HG11      ILE   8  15.498   8.032   4.254
   70   HG21  ILE   8          HG21      ILE   8  18.630   6.766   3.220
   71   HG22  ILE   8          HG22      ILE   8  18.391   5.881   4.730
   72   HG23  ILE   8          HG23      ILE   8  17.961   7.589   4.629
   73   HD11  ILE   8          HD11      ILE   8  17.436   7.968   2.000
   74   HD12  ILE   8          HD12      ILE   8  17.158   9.219   3.215
   75   HD13  ILE   8          HD13      ILE   8  16.072   9.071   1.830
   76    H    ILE   9           HN       ILE   9  15.927   3.490   3.954
   77    HA   ILE   9           HA       ILE   9  18.387   2.232   4.460
   78    HB   ILE   9           HB       ILE   9  16.855   0.151   4.847
   79   HG12  ILE   9          HG12      ILE   9  14.589   1.908   5.301
   80   HG13  ILE   9          HG11      ILE   9  15.032   1.879   3.600
   81   HG21  ILE   9          HG21      ILE   9  16.364   0.946   7.039
   82   HG22  ILE   9          HG22      ILE   9  16.264   2.621   6.488
   83   HG23  ILE   9          HG23      ILE   9  17.826   1.803   6.551
   84   HD11  ILE   9          HD11      ILE   9  13.721  -0.162   5.177
   85   HD12  ILE   9          HD12      ILE   9  15.189  -0.800   4.441
   86   HD13  ILE   9          HD13      ILE   9  13.934  -0.082   3.432
   87    H    HIS  10           HN       HIS  10  16.051   1.829   1.919
   88    HA   HIS  10           HA       HIS  10  17.048  -0.512   0.743
   89    HB2  HIS  10           HB2      HIS  10  14.862   0.677   0.219
   90    HB3  HIS  10           HB1      HIS  10  15.808   1.765  -0.798
   91    HD2  HIS  10           HD2      HIS  10  16.793   0.596  -3.200
   92    HE1  HIS  10           HE1      HIS  10  15.018  -3.199  -2.615
   93    HE2  HIS  10           HE2      HIS  10  16.290  -1.737  -4.273
   94    H    HIS  11           HN       HIS  11  18.091   2.860   0.424
   95    HA   HIS  11           HA       HIS  11  19.773   2.368  -1.851
   96    HB2  HIS  11           HB2      HIS  11  19.402   4.620   0.097
   97    HB3  HIS  11           HB1      HIS  11  20.875   4.570  -0.874
   98    HD2  HIS  11           HD2      HIS  11  17.169   3.734  -2.093
   99    HE1  HIS  11           HE1      HIS  11  18.831   6.736  -4.565
  100    HE2  HIS  11           HE2      HIS  11  16.796   5.252  -4.197
  101    H    VAL  12           HN       VAL  12  20.134   2.472   1.615
  102    HA   VAL  12           HA       VAL  12  22.929   2.052   1.689
  103    HB   VAL  12           HB       VAL  12  21.266   1.065   3.924
  104   HG11  VAL  12          HG11      VAL  12  23.644   1.378   4.209
  105   HG12  VAL  12          HG12      VAL  12  22.815   2.620   5.147
  106   HG13  VAL  12          HG13      VAL  12  23.546   3.028   3.593
  107   HG21  VAL  12          HG21      VAL  12  21.006   3.804   2.728
  108   HG22  VAL  12          HG22      VAL  12  20.902   3.609   4.475
  109   HG23  VAL  12          HG23      VAL  12  19.767   2.773   3.429
  110    H    GLY  13           HN       GLY  13  20.109  -0.051   1.974
  111    HA2  GLY  13           HA2      GLY  13  21.478  -2.497   2.315
  112    HA3  GLY  13           HA1      GLY  13  19.853  -2.326   1.656
  113    H    ASN  14           HN       ASN  14  20.407  -0.735  -0.554
  114    HA   ASN  14           HA       ASN  14  21.155  -2.607  -2.508
  115    HB2  ASN  14           HB2      ASN  14  19.782  -0.571  -2.933
  116    HB3  ASN  14           HB1      ASN  14  21.236   0.406  -2.749
  117   HD21  ASN  14          HD21      ASN  14  22.636   0.558  -4.558
  118   HD22  ASN  14          HD22      ASN  14  22.402  -0.318  -5.994
  119    H    PHE  15           HN       PHE  15  23.028  -0.381  -0.567
  120    HA   PHE  15           HA       PHE  15  25.376  -0.348  -2.181
  121    HB2  PHE  15           HB2      PHE  15  24.661   1.175  -0.142
  122    HB3  PHE  15           HB1      PHE  15  25.468  -0.070   0.809
  123    HD1  PHE  15           HD1      PHE  15  25.932   2.257  -2.050
  124    HD2  PHE  15           HD2      PHE  15  27.840  -0.161   0.940
  125    HE1  PHE  15           HE1      PHE  15  28.126   3.219  -2.676
  126    HE2  PHE  15           HE2      PHE  15  30.040   0.802   0.318
  127    HZ   PHE  15           HZ       PHE  15  30.187   2.487  -1.498
  128    H    VAL  16           HN       VAL  16  24.245  -2.164   0.571
  129    HA   VAL  16           HA       VAL  16  26.485  -3.870   0.818
  130    HB   VAL  16           HB       VAL  16  23.876  -4.902   1.671
  131   HG11  VAL  16          HG11      VAL  16  26.135  -5.642   2.482
  132   HG12  VAL  16          HG12      VAL  16  25.052  -5.135   3.780
  133   HG13  VAL  16          HG13      VAL  16  26.329  -4.052   3.225
  134   HG21  VAL  16          HG21      VAL  16  23.257  -2.588   1.834
  135   HG22  VAL  16          HG22      VAL  16  24.810  -2.149   2.536
  136   HG23  VAL  16          HG23      VAL  16  23.666  -3.117   3.460
  137    H    HIS  17           HN       HIS  17  23.347  -4.044  -0.741
  138    HA   HIS  17           HA       HIS  17  23.483  -6.658  -1.767
  139    HB2  HIS  17           HB2      HIS  17  21.633  -4.659  -1.840
  140    HB3  HIS  17           HB1      HIS  17  22.245  -4.588  -3.493
  141    HD2  HIS  17           HD2      HIS  17  22.655  -7.843  -3.958
  142    HE1  HIS  17           HE1      HIS  17  18.541  -8.084  -3.031
  143    HE2  HIS  17           HE2      HIS  17  20.489  -9.301  -4.118
  144    H    GLY  18           HN       GLY  18  24.597  -3.539  -3.030
  145    HA2  GLY  18           HA2      GLY  18  25.537  -4.385  -5.536
  146    HA3  GLY  18           HA1      GLY  18  26.177  -3.014  -4.623
  147    H    PHE  19           HN       PHE  19  27.246  -4.091  -2.412
  148    HA   PHE  19           HA       PHE  19  29.707  -5.150  -3.248
  149    HB2  PHE  19           HB2      PHE  19  28.356  -4.670  -0.676
  150    HB3  PHE  19           HB1      PHE  19  29.504  -6.007  -0.644
  151    HD1  PHE  19           HD1      PHE  19  29.103  -2.404  -0.833
  152    HD2  PHE  19           HD2      PHE  19  31.886  -5.623  -1.411
  153    HE1  PHE  19           HE1      PHE  19  30.981  -0.786  -0.778
  154    HE2  PHE  19           HE2      PHE  19  33.767  -4.005  -1.354
  155    HZ   PHE  19           HZ       PHE  19  33.314  -1.582  -1.036
  156    H    SER  20           HN       SER  20  26.754  -6.653  -2.111
  157    HA   SER  20           HA       SER  20  27.694  -9.318  -2.057
  158    HB2  SER  20           HB2      SER  20  24.861  -8.532  -2.713
  159    HB3  SER  20           HB1      SER  20  25.433  -9.973  -1.869
  160    HG   SER  20           HG       SER  20  25.698  -7.280  -0.936
  161    H    HIS  21           HN       HIS  21  26.221  -7.303  -4.509
  162    HA   HIS  21           HA       HIS  21  26.079  -9.282  -6.553
  163    HB2  HIS  21           HB2      HIS  21  26.198  -6.262  -6.668
  164    HB3  HIS  21           HB1      HIS  21  26.017  -7.276  -8.096
  165    HD2  HIS  21           HD2      HIS  21  23.593  -5.286  -6.411
  166    HE1  HIS  21           HE1      HIS  21  21.591  -9.001  -6.525
  167    HE2  HIS  21           HE2      HIS  21  21.293  -6.498  -6.195
  168    H    VAL  22           HN       VAL  22  28.458  -6.827  -5.632
  169    HA   VAL  22           HA       VAL  22  30.327  -7.235  -7.689
  170    HB   VAL  22           HB       VAL  22  30.800  -6.491  -4.781
  171   HG11  VAL  22          HG11      VAL  22  32.556  -5.801  -7.134
  172   HG12  VAL  22          HG12      VAL  22  32.797  -7.282  -6.214
  173   HG13  VAL  22          HG13      VAL  22  32.935  -5.720  -5.418
  174   HG21  VAL  22          HG21      VAL  22  30.180  -4.363  -5.304
  175   HG22  VAL  22          HG22      VAL  22  29.320  -5.117  -6.649
  176   HG23  VAL  22          HG23      VAL  22  30.930  -4.438  -6.895
  177    H    PHE  23           HN       PHE  23  29.842  -8.845  -4.577
  178    HA   PHE  23           HA       PHE  23  32.087 -10.602  -4.778
  179    HB2  PHE  23           HB2      PHE  23  30.269  -9.977  -2.793
  180    HB3  PHE  23           HB1      PHE  23  29.755 -11.595  -3.266
  181    HD1  PHE  23           HD1      PHE  23  31.383 -10.278  -0.759
  182    HD2  PHE  23           HD2      PHE  23  32.334 -12.820  -4.075
  183    HE1  PHE  23           HE1      PHE  23  33.275 -11.230   0.518
  184    HE2  PHE  23           HE2      PHE  23  34.236 -13.777  -2.799
  185    HZ   PHE  23           HZ       PHE  23  34.705 -12.976  -0.496
  186    HN1  NH2  24           H1       PHE  23  28.572 -11.171  -5.339
  187    HN2  NH2  24           H2       PHE  23  28.806 -12.479  -6.396
  Start of MODEL    6
    1    H1   VAL   1           HT1      VAL   1   5.222  10.604   4.013
    2    H2   VAL   1           HT2      VAL   1   6.852  10.679   4.466
    3    H3   VAL   1           HT3      VAL   1   5.723  11.716   5.191
    4    HA   VAL   1           HA       VAL   1   5.335  10.271   6.772
    5    HB   VAL   1           HB       VAL   1   3.693   9.405   4.998
    6   HG11  VAL   1          HG11      VAL   1   5.990   8.041   4.089
    7   HG12  VAL   1          HG12      VAL   1   4.330   7.828   3.529
    8   HG13  VAL   1          HG13      VAL   1   4.960   6.806   4.818
    9   HG21  VAL   1          HG21      VAL   1   4.560   7.205   6.860
   10   HG22  VAL   1          HG22      VAL   1   2.934   7.751   6.471
   11   HG23  VAL   1          HG23      VAL   1   3.960   8.726   7.518
   12    H    PHE   2           HN       PHE   2   6.041   7.992   7.625
   13    HA   PHE   2           HA       PHE   2   8.820   7.989   7.820
   14    HB2  PHE   2           HB2      PHE   2   7.775   5.335   8.282
   15    HB3  PHE   2           HB1      PHE   2   8.421   6.499   9.436
   16    HD1  PHE   2           HD1      PHE   2   5.538   4.695   8.620
   17    HD2  PHE   2           HD2      PHE   2   6.795   8.634   9.795
   18    HE1  PHE   2           HE1      PHE   2   3.263   5.168   9.470
   19    HE2  PHE   2           HE2      PHE   2   4.511   9.109  10.650
   20    HZ   PHE   2           HZ       PHE   2   2.749   7.367  10.480
   21    H    GLN   3           HN       GLN   3   6.698   6.307   5.625
   22    HA   GLN   3           HA       GLN   3   8.392   4.383   4.573
   23    HB2  GLN   3           HB2      GLN   3   6.286   6.047   3.184
   24    HB3  GLN   3           HB1      GLN   3   7.097   4.683   2.428
   25    HG2  GLN   3           HG2      GLN   3   6.194   3.883   5.030
   26    HG3  GLN   3           HG1      GLN   3   4.851   4.635   4.176
   27   HE21  GLN   3          HE21      GLN   3   5.635   1.665   4.784
   28   HE22  GLN   3          HE22      GLN   3   5.453   0.907   3.276
   29    H    PHE   4           HN       PHE   4   8.498   7.848   4.140
   30    HA   PHE   4           HA       PHE   4  10.074   7.867   1.770
   31    HB2  PHE   4           HB2      PHE   4   8.739   9.805   3.008
   32    HB3  PHE   4           HB1      PHE   4  10.305  10.079   3.771
   33    HD1  PHE   4           HD1      PHE   4  11.481  11.802   2.731
   34    HD2  PHE   4           HD2      PHE   4   9.186   9.094   0.321
   35    HE1  PHE   4           HE1      PHE   4  12.275  12.955   0.683
   36    HE2  PHE   4           HE2      PHE   4   9.980  10.242  -1.729
   37    HZ   PHE   4           HZ       PHE   4  11.531  12.169  -1.544
   38    H    LEU   5           HN       LEU   5  10.958   8.485   5.155
   39    HA   LEU   5           HA       LEU   5  13.756   8.360   4.650
   40    HB2  LEU   5           HB2      LEU   5  12.661   7.845   7.383
   41    HB3  LEU   5           HB1      LEU   5  14.028   8.842   6.884
   42    HG   LEU   5           HG       LEU   5  12.148  10.277   5.688
   43   HD11  LEU   5          HD11      LEU   5  10.387   9.843   7.917
   44   HD12  LEU   5          HD12      LEU   5  10.620   8.322   7.052
   45   HD13  LEU   5          HD13      LEU   5  10.029   9.745   6.193
   46   HD21  LEU   5          HD21      LEU   5  12.896  10.241   8.612
   47   HD22  LEU   5          HD22      LEU   5  11.827  11.488   7.959
   48   HD23  LEU   5          HD23      LEU   5  13.471  11.322   7.339
   49    H    GLY   6           HN       GLY   6  11.303   6.050   5.627
   50    HA2  GLY   6           HA2      GLY   6  12.884   4.014   6.666
   51    HA3  GLY   6           HA1      GLY   6  11.342   3.763   5.861
   52    H    LYS   7           HN       LYS   7  11.987   4.511   3.228
   53    HA   LYS   7           HA       LYS   7  13.128   2.146   2.267
   54    HB2  LYS   7           HB2      LYS   7  13.381   3.430   0.068
   55    HB3  LYS   7           HB1      LYS   7  11.760   3.283   0.731
   56    HG2  LYS   7           HG2      LYS   7  12.024   5.574   0.063
   57    HG3  LYS   7           HG1      LYS   7  12.119   5.548   1.821
   58    HD2  LYS   7           HD2      LYS   7  14.282   6.214   1.830
   59    HD3  LYS   7           HD1      LYS   7  14.709   5.147   0.488
   60    HE2  LYS   7           HE2      LYS   7  14.951   7.532  -0.132
   61    HE3  LYS   7           HE1      LYS   7  13.721   6.729  -1.108
   62    HZ1  LYS   7           HZ1      LYS   7  13.384   9.025   0.308
   63    HZ2  LYS   7           HZ2      LYS   7  12.681   7.856   1.325
   64    HZ3  LYS   7           HZ3      LYS   7  12.131   8.035  -0.277
   65    H    ILE   8           HN       ILE   8  14.661   5.028   3.360
   66    HA   ILE   8           HA       ILE   8  17.031   5.074   1.956
   67    HB   ILE   8           HB       ILE   8  16.646   5.582   4.916
   68   HG12  ILE   8          HG12      ILE   8  16.626   7.470   2.535
   69   HG13  ILE   8          HG11      ILE   8  15.188   6.930   3.398
   70   HG21  ILE   8          HG21      ILE   8  19.042   5.287   4.224
   71   HG22  ILE   8          HG22      ILE   8  18.679   6.923   4.771
   72   HG23  ILE   8          HG23      ILE   8  18.817   6.584   3.049
   73   HD11  ILE   8          HD11      ILE   8  15.969   7.972   5.454
   74   HD12  ILE   8          HD12      ILE   8  15.989   9.166   4.160
   75   HD13  ILE   8          HD13      ILE   8  17.493   8.412   4.683
   76    H    ILE   9           HN       ILE   9  16.180   2.910   4.677
   77    HA   ILE   9           HA       ILE   9  18.728   1.823   5.106
   78    HB   ILE   9           HB       ILE   9  17.452  -0.285   5.769
   79   HG12  ILE   9          HG12      ILE   9  14.916   1.091   5.992
   80   HG13  ILE   9          HG11      ILE   9  15.400   0.989   4.303
   81   HG21  ILE   9          HG21      ILE   9  16.473   0.850   7.772
   82   HG22  ILE   9          HG22      ILE   9  16.743   2.402   6.975
   83   HG23  ILE   9          HG23      ILE   9  18.115   1.381   7.409
   84   HD11  ILE   9          HD11      ILE   9  14.125  -1.015   5.617
   85   HD12  ILE   9          HD12      ILE   9  15.804  -1.477   5.898
   86   HD13  ILE   9          HD13      ILE   9  15.207  -1.285   4.248
   87    H    HIS  10           HN       HIS  10  16.274   1.112   2.761
   88    HA   HIS  10           HA       HIS  10  17.478  -1.162   1.577
   89    HB2  HIS  10           HB2      HIS  10  15.050  -0.186   1.322
   90    HB3  HIS  10           HB1      HIS  10  15.763   0.722  -0.010
   91    HD2  HIS  10           HD2      HIS  10  17.474  -1.358  -1.638
   92    HE1  HIS  10           HE1      HIS  10  14.327  -4.141  -1.195
   93    HE2  HIS  10           HE2      HIS  10  16.442  -3.599  -2.504
   94    H    HIS  11           HN       HIS  11  17.927   2.309   1.134
   95    HA   HIS  11           HA       HIS  11  19.307   2.133  -1.356
   96    HB2  HIS  11           HB2      HIS  11  19.254   4.202   0.839
   97    HB3  HIS  11           HB1      HIS  11  20.277   4.382  -0.582
   98    HD2  HIS  11           HD2      HIS  11  16.661   2.898  -1.014
   99    HE1  HIS  11           HE1      HIS  11  16.690   6.773  -2.708
  100    HE2  HIS  11           HE2      HIS  11  15.322   4.644  -2.431
  101    H    VAL  12           HN       VAL  12  20.217   2.107   2.006
  102    HA   VAL  12           HA       VAL  12  23.006   2.027   1.637
  103    HB   VAL  12           HB       VAL  12  21.853   0.660   3.984
  104   HG11  VAL  12          HG11      VAL  12  23.321   3.145   4.368
  105   HG12  VAL  12          HG12      VAL  12  24.182   2.020   3.323
  106   HG13  VAL  12          HG13      VAL  12  23.698   1.524   4.941
  107   HG21  VAL  12          HG21      VAL  12  21.124   2.995   4.874
  108   HG22  VAL  12          HG22      VAL  12  20.033   2.144   3.792
  109   HG23  VAL  12          HG23      VAL  12  21.034   3.454   3.176
  110    H    GLY  13           HN       GLY  13  20.554  -0.436   2.218
  111    HA2  GLY  13           HA2      GLY  13  22.225  -2.699   2.127
  112    HA3  GLY  13           HA1      GLY  13  20.498  -2.697   1.796
  113    H    ASN  14           HN       ASN  14  20.530  -0.899  -0.384
  114    HA   ASN  14           HA       ASN  14  20.899  -2.617  -2.545
  115    HB2  ASN  14           HB2      ASN  14  19.803  -0.957  -3.570
  116    HB3  ASN  14           HB1      ASN  14  20.023   0.056  -2.148
  117   HD21  ASN  14          HD21      ASN  14  22.054   1.406  -2.087
  118   HD22  ASN  14          HD22      ASN  14  22.785   1.854  -3.554
  119    H    PHE  15           HN       PHE  15  23.212  -0.472  -0.964
  120    HA   PHE  15           HA       PHE  15  25.125  -0.625  -3.104
  121    HB2  PHE  15           HB2      PHE  15  24.902   0.736  -0.558
  122    HB3  PHE  15           HB1      PHE  15  26.486  -0.021  -0.715
  123    HD1  PHE  15           HD1      PHE  15  24.582   2.841  -1.507
  124    HD2  PHE  15           HD2      PHE  15  27.616   0.256  -3.110
  125    HE1  PHE  15           HE1      PHE  15  25.269   4.624  -3.083
  126    HE2  PHE  15           HE2      PHE  15  28.304   2.042  -4.688
  127    HZ   PHE  15           HZ       PHE  15  27.133   4.228  -4.677
  128    H    VAL  16           HN       VAL  16  24.663  -2.111   0.031
  129    HA   VAL  16           HA       VAL  16  26.889  -3.808   0.009
  130    HB   VAL  16           HB       VAL  16  24.417  -4.814   1.253
  131   HG11  VAL  16          HG11      VAL  16  26.585  -5.714   1.864
  132   HG12  VAL  16          HG12      VAL  16  25.949  -4.814   3.239
  133   HG13  VAL  16          HG13      VAL  16  27.194  -4.098   2.220
  134   HG21  VAL  16          HG21      VAL  16  24.486  -2.989   2.998
  135   HG22  VAL  16          HG22      VAL  16  23.886  -2.481   1.427
  136   HG23  VAL  16          HG23      VAL  16  25.528  -2.074   1.910
  137    H    HIS  17           HN       HIS  17  23.600  -4.107  -1.173
  138    HA   HIS  17           HA       HIS  17  23.674  -6.791  -2.030
  139    HB2  HIS  17           HB2      HIS  17  21.631  -5.291  -1.932
  140    HB3  HIS  17           HB1      HIS  17  22.220  -4.511  -3.397
  141    HD2  HIS  17           HD2      HIS  17  22.166  -6.187  -5.738
  142    HE1  HIS  17           HE1      HIS  17  19.830  -9.225  -3.966
  143    HE2  HIS  17           HE2      HIS  17  20.760  -8.348  -6.164
  144    H    GLY  18           HN       GLY  18  24.584  -3.745  -3.602
  145    HA2  GLY  18           HA2      GLY  18  25.339  -4.826  -6.115
  146    HA3  GLY  18           HA1      GLY  18  25.917  -3.305  -5.438
  147    H    PHE  19           HN       PHE  19  27.265  -3.972  -3.228
  148    HA   PHE  19           HA       PHE  19  29.742  -4.914  -4.139
  149    HB2  PHE  19           HB2      PHE  19  28.628  -4.844  -1.322
  150    HB3  PHE  19           HB1      PHE  19  30.318  -5.143  -1.716
  151    HD1  PHE  19           HD1      PHE  19  30.782  -3.241  -3.945
  152    HD2  PHE  19           HD2      PHE  19  28.600  -2.735  -0.275
  153    HE1  PHE  19           HE1      PHE  19  31.176  -0.794  -4.050
  154    HE2  PHE  19           HE2      PHE  19  28.992  -0.292  -0.378
  155    HZ   PHE  19           HZ       PHE  19  30.273   0.686  -2.267
  156    H    SER  20           HN       SER  20  27.180  -6.533  -2.340
  157    HA   SER  20           HA       SER  20  28.358  -9.057  -2.076
  158    HB2  SER  20           HB2      SER  20  25.433  -8.581  -2.628
  159    HB3  SER  20           HB1      SER  20  26.150  -9.926  -1.748
  160    HG   SER  20           HG       SER  20  26.274  -7.179  -0.986
  161    H    HIS  21           HN       HIS  21  26.434  -7.662  -4.669
  162    HA   HIS  21           HA       HIS  21  26.303  -9.902  -6.359
  163    HB2  HIS  21           HB2      HIS  21  25.879  -7.007  -6.603
  164    HB3  HIS  21           HB1      HIS  21  26.468  -7.746  -8.089
  165    HD2  HIS  21           HD2      HIS  21  23.733  -7.379  -9.085
  166    HE1  HIS  21           HE1      HIS  21  22.197 -10.578  -6.796
  167    HE2  HIS  21           HE2      HIS  21  21.703  -8.982  -8.712
  168    H    VAL  22           HN       VAL  22  28.635  -7.216  -6.257
  169    HA   VAL  22           HA       VAL  22  30.334  -8.207  -8.290
  170    HB   VAL  22           HB       VAL  22  31.274  -6.556  -5.938
  171   HG11  VAL  22          HG11      VAL  22  32.785  -7.443  -7.874
  172   HG12  VAL  22          HG12      VAL  22  32.902  -5.739  -7.433
  173   HG13  VAL  22          HG13      VAL  22  31.972  -6.221  -8.853
  174   HG21  VAL  22          HG21      VAL  22  29.679  -5.035  -6.430
  175   HG22  VAL  22          HG22      VAL  22  29.162  -5.939  -7.854
  176   HG23  VAL  22          HG23      VAL  22  30.501  -4.798  -7.970
  177    H    PHE  23           HN       PHE  23  30.378  -8.544  -4.744
  178    HA   PHE  23           HA       PHE  23  32.594 -10.456  -4.931
  179    HB2  PHE  23           HB2      PHE  23  31.154  -9.566  -2.425
  180    HB3  PHE  23           HB1      PHE  23  32.764 -10.270  -2.560
  181    HD1  PHE  23           HD1      PHE  23  33.796  -8.719  -4.926
  182    HD2  PHE  23           HD2      PHE  23  31.621  -7.449  -1.452
  183    HE1  PHE  23           HE1      PHE  23  34.763  -6.452  -5.153
  184    HE2  PHE  23           HE2      PHE  23  32.594  -5.177  -1.678
  185    HZ   PHE  23           HZ       PHE  23  34.158  -4.679  -3.536
  186    HN1  NH2  24           H1       PHE  23  30.192 -11.377  -6.144
  187    HN2  NH2  24           H2       PHE  23  29.584 -12.653  -5.205
  Start of MODEL    7
    1    H1   VAL   1           HT1      VAL   1   6.018   9.753   8.411
    2    H2   VAL   1           HT2      VAL   1   5.180  10.136   6.988
    3    H3   VAL   1           HT3      VAL   1   5.816  11.367   7.961
    4    HA   VAL   1           HA       VAL   1   7.034  10.528   5.795
    5    HB   VAL   1           HB       VAL   1   9.156  11.345   6.879
    6   HG11  VAL   1          HG11      VAL   1   6.922  12.750   6.191
    7   HG12  VAL   1          HG12      VAL   1   8.411  13.512   6.754
    8   HG13  VAL   1          HG13      VAL   1   7.083  13.227   7.882
    9   HG21  VAL   1          HG21      VAL   1   7.558  11.882   9.364
   10   HG22  VAL   1          HG22      VAL   1   9.303  11.755   9.169
   11   HG23  VAL   1          HG23      VAL   1   8.309  10.299   9.169
   12    H    PHE   2           HN       PHE   2   6.319   8.267   8.035
   13    HA   PHE   2           HA       PHE   2   8.660   6.791   8.431
   14    HB2  PHE   2           HB2      PHE   2   5.949   5.574   7.920
   15    HB3  PHE   2           HB1      PHE   2   7.252   4.933   8.916
   16    HD1  PHE   2           HD1      PHE   2   8.084   6.619  10.825
   17    HD2  PHE   2           HD2      PHE   2   4.188   6.660   9.021
   18    HE1  PHE   2           HE1      PHE   2   7.189   7.817  12.797
   19    HE2  PHE   2           HE2      PHE   2   3.285   7.860  11.000
   20    HZ   PHE   2           HZ       PHE   2   4.790   8.442  12.886
   21    H    GLN   3           HN       GLN   3   6.590   7.104   5.663
   22    HA   GLN   3           HA       GLN   3   7.392   4.831   4.196
   23    HB2  GLN   3           HB2      GLN   3   6.591   7.461   2.961
   24    HB3  GLN   3           HB1      GLN   3   6.312   5.837   2.344
   25    HG2  GLN   3           HG2      GLN   3   4.227   6.246   3.242
   26    HG3  GLN   3           HG1      GLN   3   5.014   5.575   4.668
   27   HE21  GLN   3          HE21      GLN   3   2.996   7.993   3.895
   28   HE22  GLN   3          HE22      GLN   3   3.494   9.180   5.000
   29    H    PHE   4           HN       PHE   4   8.862   7.990   4.595
   30    HA   PHE   4           HA       PHE   4  10.624   7.811   2.359
   31    HB2  PHE   4           HB2      PHE   4  11.178   9.375   4.886
   32    HB3  PHE   4           HB1      PHE   4  11.737   9.717   3.253
   33    HD1  PHE   4           HD1      PHE   4  10.344  11.774   4.927
   34    HD2  PHE   4           HD2      PHE   4   8.747   8.837   2.210
   35    HE1  PHE   4           HE1      PHE   4   8.343  13.189   4.561
   36    HE2  PHE   4           HE2      PHE   4   6.746  10.259   1.860
   37    HZ   PHE   4           HZ       PHE   4   6.542  12.430   3.033
   38    H    LEU   5           HN       LEU   5  10.957   7.046   5.795
   39    HA   LEU   5           HA       LEU   5  13.663   6.376   5.824
   40    HB2  LEU   5           HB2      LEU   5  11.898   4.672   7.477
   41    HB3  LEU   5           HB1      LEU   5  13.299   5.635   7.941
   42    HG   LEU   5           HG       LEU   5  10.526   6.724   7.344
   43   HD11  LEU   5          HD11      LEU   5  10.596   5.552   9.471
   44   HD12  LEU   5          HD12      LEU   5  10.577   7.288   9.775
   45   HD13  LEU   5          HD13      LEU   5  12.084   6.385   9.916
   46   HD21  LEU   5          HD21      LEU   5  13.195   7.998   7.864
   47   HD22  LEU   5          HD22      LEU   5  11.749   8.784   8.493
   48   HD23  LEU   5          HD23      LEU   5  11.917   8.503   6.758
   49    H    GLY   6           HN       GLY   6  10.867   4.504   4.850
   50    HA2  GLY   6           HA2      GLY   6  12.011   1.952   4.688
   51    HA3  GLY   6           HA1      GLY   6  10.672   2.524   3.697
   52    H    LYS   7           HN       LYS   7  11.936   4.590   2.320
   53    HA   LYS   7           HA       LYS   7  13.267   3.064   0.317
   54    HB2  LYS   7           HB2      LYS   7  12.423   4.709  -0.926
   55    HB3  LYS   7           HB1      LYS   7  12.028   5.640   0.503
   56    HG2  LYS   7           HG2      LYS   7  14.887   5.673  -0.401
   57    HG3  LYS   7           HG1      LYS   7  13.708   6.568  -1.352
   58    HD2  LYS   7           HD2      LYS   7  12.991   7.285   1.195
   59    HD3  LYS   7           HD1      LYS   7  14.741   7.133   1.346
   60    HE2  LYS   7           HE2      LYS   7  15.092   8.679  -0.497
   61    HE3  LYS   7           HE1      LYS   7  13.361   8.720  -0.835
   62    HZ1  LYS   7           HZ1      LYS   7  14.554  10.531   0.644
   63    HZ2  LYS   7           HZ2      LYS   7  14.179   9.429   1.876
   64    HZ3  LYS   7           HZ3      LYS   7  12.947  10.075   0.902
   65    H    ILE   8           HN       ILE   8  14.299   5.177   2.879
   66    HA   ILE   8           HA       ILE   8  16.905   5.743   2.057
   67    HB   ILE   8           HB       ILE   8  15.844   5.348   4.868
   68   HG12  ILE   8          HG12      ILE   8  14.755   7.112   3.373
   69   HG13  ILE   8          HG11      ILE   8  15.451   7.711   4.875
   70   HG21  ILE   8          HG21      ILE   8  18.405   6.556   3.804
   71   HG22  ILE   8          HG22      ILE   8  18.231   5.258   4.986
   72   HG23  ILE   8          HG23      ILE   8  17.786   6.911   5.418
   73   HD11  ILE   8          HD11      ILE   8  16.062   9.136   2.932
   74   HD12  ILE   8          HD12      ILE   8  16.849   7.749   2.185
   75   HD13  ILE   8          HD13      ILE   8  17.477   8.409   3.690
   76    H    ILE   9           HN       ILE   9  15.830   3.034   4.153
   77    HA   ILE   9           HA       ILE   9  18.346   1.895   4.550
   78    HB   ILE   9           HB       ILE   9  17.011  -0.304   4.742
   79   HG12  ILE   9          HG12      ILE   9  14.499   1.028   5.163
   80   HG13  ILE   9          HG11      ILE   9  15.060   1.403   3.535
   81   HG21  ILE   9          HG21      ILE   9  17.514   0.659   6.799
   82   HG22  ILE   9          HG22      ILE   9  15.755   0.786   6.821
   83   HG23  ILE   9          HG23      ILE   9  16.737   2.188   6.389
   84   HD11  ILE   9          HD11      ILE   9  14.933  -1.403   4.670
   85   HD12  ILE   9          HD12      ILE   9  15.319  -0.951   3.013
   86   HD13  ILE   9          HD13      ILE   9  13.693  -0.692   3.641
   87    H    HIS  10           HN       HIS  10  16.081   1.528   1.934
   88    HA   HIS  10           HA       HIS  10  17.260  -0.606   0.570
   89    HB2  HIS  10           HB2      HIS  10  15.032   0.744   0.123
   90    HB3  HIS  10           HB1      HIS  10  16.060   1.654  -0.984
   91    HD2  HIS  10           HD2      HIS  10  16.902   0.223  -3.281
   92    HE1  HIS  10           HE1      HIS  10  14.829  -3.345  -2.393
   93    HE2  HIS  10           HE2      HIS  10  16.167  -2.120  -4.171
   94    H    HIS  11           HN       HIS  11  18.131   2.820   0.639
   95    HA   HIS  11           HA       HIS  11  19.908   2.675  -1.611
   96    HB2  HIS  11           HB2      HIS  11  19.202   4.665   0.463
   97    HB3  HIS  11           HB1      HIS  11  20.845   4.777  -0.164
   98    HD2  HIS  11           HD2      HIS  11  17.196   4.629  -1.782
   99    HE1  HIS  11           HE1      HIS  11  19.785   6.822  -4.305
  100    HE2  HIS  11           HE2      HIS  11  17.383   6.031  -3.986
  101    H    VAL  12           HN       VAL  12  20.225   2.541   1.868
  102    HA   VAL  12           HA       VAL  12  23.016   2.285   1.997
  103    HB   VAL  12           HB       VAL  12  21.396   0.932   4.054
  104   HG11  VAL  12          HG11      VAL  12  23.685   1.478   4.540
  105   HG12  VAL  12          HG12      VAL  12  22.690   2.607   5.465
  106   HG13  VAL  12          HG13      VAL  12  23.465   3.135   3.969
  107   HG21  VAL  12          HG21      VAL  12  20.912   3.801   3.226
  108   HG22  VAL  12          HG22      VAL  12  20.594   3.242   4.866
  109   HG23  VAL  12          HG23      VAL  12  19.728   2.532   3.511
  110    H    GLY  13           HN       GLY  13  20.395  -0.076   2.028
  111    HA2  GLY  13           HA2      GLY  13  21.979  -2.407   2.166
  112    HA3  GLY  13           HA1      GLY  13  20.335  -2.331   1.555
  113    H    ASN  14           HN       ASN  14  20.776  -0.504  -0.548
  114    HA   ASN  14           HA       ASN  14  21.402  -2.178  -2.673
  115    HB2  ASN  14           HB2      ASN  14  20.288  -0.378  -3.488
  116    HB3  ASN  14           HB1      ASN  14  20.985   0.719  -2.303
  117   HD21  ASN  14          HD21      ASN  14  21.952  -1.121  -5.256
  118   HD22  ASN  14          HD22      ASN  14  23.055   0.052  -5.790
  119    H    PHE  15           HN       PHE  15  23.564  -0.154  -0.750
  120    HA   PHE  15           HA       PHE  15  25.757  -0.388  -2.592
  121    HB2  PHE  15           HB2      PHE  15  25.352   0.752   0.133
  122    HB3  PHE  15           HB1      PHE  15  26.993   0.270  -0.299
  123    HD1  PHE  15           HD1      PHE  15  24.257   2.611  -0.968
  124    HD2  PHE  15           HD2      PHE  15  28.137   1.281  -2.251
  125    HE1  PHE  15           HE1      PHE  15  24.507   4.657  -2.347
  126    HE2  PHE  15           HE2      PHE  15  28.388   3.328  -3.624
  127    HZ   PHE  15           HZ       PHE  15  26.578   5.021  -3.672
  128    H    VAL  16           HN       VAL  16  24.733  -1.938   0.383
  129    HA   VAL  16           HA       VAL  16  26.935  -3.686   0.630
  130    HB   VAL  16           HB       VAL  16  24.395  -4.625   1.728
  131   HG11  VAL  16          HG11      VAL  16  26.971  -3.639   2.976
  132   HG12  VAL  16          HG12      VAL  16  26.652  -5.307   2.495
  133   HG13  VAL  16          HG13      VAL  16  25.722  -4.568   3.799
  134   HG21  VAL  16          HG21      VAL  16  25.348  -1.805   2.303
  135   HG22  VAL  16          HG22      VAL  16  24.218  -2.684   3.334
  136   HG23  VAL  16          HG23      VAL  16  23.779  -2.287   1.676
  137    H    HIS  17           HN       HIS  17  23.687  -3.973  -0.702
  138    HA   HIS  17           HA       HIS  17  23.792  -6.668  -1.489
  139    HB2  HIS  17           HB2      HIS  17  22.256  -4.262  -2.416
  140    HB3  HIS  17           HB1      HIS  17  22.149  -5.767  -3.330
  141    HD2  HIS  17           HD2      HIS  17  21.683  -8.038  -1.216
  142    HE1  HIS  17           HE1      HIS  17  18.969  -5.490   0.774
  143    HE2  HIS  17           HE2      HIS  17  19.762  -7.893   0.544
  144    H    GLY  18           HN       GLY  18  24.766  -3.682  -3.131
  145    HA2  GLY  18           HA2      GLY  18  25.513  -4.762  -5.609
  146    HA3  GLY  18           HA1      GLY  18  26.229  -3.327  -4.884
  147    H    PHE  19           HN       PHE  19  27.438  -4.232  -2.662
  148    HA   PHE  19           HA       PHE  19  29.866  -5.310  -3.524
  149    HB2  PHE  19           HB2      PHE  19  28.529  -4.980  -0.872
  150    HB3  PHE  19           HB1      PHE  19  29.925  -6.049  -0.955
  151    HD1  PHE  19           HD1      PHE  19  32.001  -5.062  -2.301
  152    HD2  PHE  19           HD2      PHE  19  28.891  -2.725  -0.486
  153    HE1  PHE  19           HE1      PHE  19  33.511  -3.097  -2.243
  154    HE2  PHE  19           HE2      PHE  19  30.397  -0.763  -0.431
  155    HZ   PHE  19           HZ       PHE  19  32.714  -0.941  -1.307
  156    H    SER  20           HN       SER  20  27.118  -6.839  -1.955
  157    HA   SER  20           HA       SER  20  28.096  -9.466  -1.871
  158    HB2  SER  20           HB2      SER  20  25.181  -9.017  -2.265
  159    HB3  SER  20           HB1      SER  20  26.008 -10.055  -1.110
  160    HG   SER  20           HG       SER  20  25.841  -7.200  -1.047
  161    H    HIS  21           HN       HIS  21  26.230  -7.766  -4.327
  162    HA   HIS  21           HA       HIS  21  25.890 -10.038  -6.018
  163    HB2  HIS  21           HB2      HIS  21  25.436  -7.105  -6.241
  164    HB3  HIS  21           HB1      HIS  21  25.614  -8.000  -7.751
  165    HD2  HIS  21           HD2      HIS  21  22.734  -7.033  -5.647
  166    HE1  HIS  21           HE1      HIS  21  21.740 -10.925  -6.953
  167    HE2  HIS  21           HE2      HIS  21  20.825  -8.804  -5.888
  168    H    VAL  22           HN       VAL  22  28.154  -7.263  -6.160
  169    HA   VAL  22           HA       VAL  22  29.507  -8.170  -8.478
  170    HB   VAL  22           HB       VAL  22  30.696  -6.438  -6.299
  171   HG11  VAL  22          HG11      VAL  22  31.320  -7.068  -9.149
  172   HG12  VAL  22          HG12      VAL  22  32.414  -6.685  -7.819
  173   HG13  VAL  22          HG13      VAL  22  31.538  -5.392  -8.641
  174   HG21  VAL  22          HG21      VAL  22  29.187  -4.841  -6.753
  175   HG22  VAL  22          HG22      VAL  22  28.313  -5.979  -7.774
  176   HG23  VAL  22          HG23      VAL  22  29.556  -4.943  -8.472
  177    H    PHE  23           HN       PHE  23  30.166  -8.589  -5.018
  178    HA   PHE  23           HA       PHE  23  32.261 -10.555  -5.731
  179    HB2  PHE  23           HB2      PHE  23  31.981  -9.103  -3.086
  180    HB3  PHE  23           HB1      PHE  23  33.352 -10.050  -3.662
  181    HD1  PHE  23           HD1      PHE  23  34.436  -9.259  -5.922
  182    HD2  PHE  23           HD2      PHE  23  31.965  -6.799  -3.419
  183    HE1  PHE  23           HE1      PHE  23  35.400  -7.232  -6.971
  184    HE2  PHE  23           HE2      PHE  23  32.928  -4.766  -4.467
  185    HZ   PHE  23           HZ       PHE  23  34.649  -4.981  -6.248
  186    HN1  NH2  24           H1       PHE  23  29.545 -11.396  -5.740
  187    HN2  NH2  24           H2       PHE  23  29.300 -12.431  -4.418
  Start of MODEL    8
    1    H1   VAL   1           HT1      VAL   1   6.510  10.368   7.914
    2    H2   VAL   1           HT2      VAL   1   6.504  11.137   6.404
    3    H3   VAL   1           HT3      VAL   1   7.881  10.299   6.919
    4    HA   VAL   1           HA       VAL   1   5.486   8.704   6.876
    5    HB   VAL   1           HB       VAL   1   5.651   8.435   4.363
    6   HG11  VAL   1          HG11      VAL   1   4.122  10.211   3.932
    7   HG12  VAL   1          HG12      VAL   1   4.853  11.247   5.157
    8   HG13  VAL   1          HG13      VAL   1   3.917   9.832   5.642
    9   HG21  VAL   1          HG21      VAL   1   7.109   9.675   3.131
   10   HG22  VAL   1          HG22      VAL   1   7.907  10.036   4.661
   11   HG23  VAL   1          HG23      VAL   1   6.710  11.153   4.010
   12    H    PHE   2           HN       PHE   2   6.172   6.684   7.131
   13    HA   PHE   2           HA       PHE   2   8.847   6.024   7.545
   14    HB2  PHE   2           HB2      PHE   2   6.552   4.196   6.843
   15    HB3  PHE   2           HB1      PHE   2   8.097   3.673   7.508
   16    HD1  PHE   2           HD1      PHE   2   8.702   4.158   9.853
   17    HD2  PHE   2           HD2      PHE   2   4.963   5.472   8.182
   18    HE1  PHE   2           HE1      PHE   2   7.844   4.646  12.133
   19    HE2  PHE   2           HE2      PHE   2   4.112   5.962  10.457
   20    HZ   PHE   2           HZ       PHE   2   5.550   5.542  12.436
   21    H    GLN   3           HN       GLN   3   6.878   5.697   4.658
   22    HA   GLN   3           HA       GLN   3   8.481   4.075   3.102
   23    HB2  GLN   3           HB2      GLN   3   7.630   5.690   1.173
   24    HB3  GLN   3           HB1      GLN   3   6.541   4.575   1.992
   25    HG2  GLN   3           HG2      GLN   3   6.936   7.341   3.092
   26    HG3  GLN   3           HG1      GLN   3   5.859   7.092   1.724
   27   HE21  GLN   3          HE21      GLN   3   3.933   5.696   2.084
   28   HE22  GLN   3          HE22      GLN   3   3.380   5.396   3.660
   29    H    PHE   4           HN       PHE   4   9.005   7.424   3.993
   30    HA   PHE   4           HA       PHE   4  11.063   7.894   2.047
   31    HB2  PHE   4           HB2      PHE   4   9.880   9.345   4.321
   32    HB3  PHE   4           HB1      PHE   4  11.596   9.654   4.083
   33    HD1  PHE   4           HD1      PHE   4   8.826   8.919   1.663
   34    HD2  PHE   4           HD2      PHE   4  11.838  11.696   2.965
   35    HE1  PHE   4           HE1      PHE   4   8.324  10.378  -0.278
   36    HE2  PHE   4           HE2      PHE   4  11.323  13.148   1.027
   37    HZ   PHE   4           HZ       PHE   4   9.577  12.491  -0.603
   38    H    LEU   5           HN       LEU   5  11.079   7.219   5.532
   39    HA   LEU   5           HA       LEU   5  13.880   6.962   5.785
   40    HB2  LEU   5           HB2      LEU   5  12.307   5.225   7.559
   41    HB3  LEU   5           HB1      LEU   5  13.434   6.516   7.965
   42    HG   LEU   5           HG       LEU   5  10.567   6.909   7.058
   43   HD11  LEU   5          HD11      LEU   5  10.610   6.047   9.306
   44   HD12  LEU   5          HD12      LEU   5  10.294   7.777   9.401
   45   HD13  LEU   5          HD13      LEU   5  11.902   7.154   9.762
   46   HD21  LEU   5          HD21      LEU   5  12.859   8.690   7.168
   47   HD22  LEU   5          HD22      LEU   5  11.574   9.250   8.236
   48   HD23  LEU   5          HD23      LEU   5  11.246   8.994   6.522
   49    H    GLY   6           HN       GLY   6  11.313   4.724   4.933
   50    HA2  GLY   6           HA2      GLY   6  12.661   2.283   5.092
   51    HA3  GLY   6           HA1      GLY   6  11.332   2.632   3.994
   52    H    LYS   7           HN       LYS   7  12.458   4.551   2.300
   53    HA   LYS   7           HA       LYS   7  14.088   2.852   0.690
   54    HB2  LYS   7           HB2      LYS   7  14.315   4.945  -0.788
   55    HB3  LYS   7           HB1      LYS   7  12.715   4.238  -0.611
   56    HG2  LYS   7           HG2      LYS   7  12.269   6.515  -0.271
   57    HG3  LYS   7           HG1      LYS   7  12.477   5.944   1.378
   58    HD2  LYS   7           HD2      LYS   7  13.801   7.884   1.303
   59    HD3  LYS   7           HD1      LYS   7  14.965   6.587   1.075
   60    HE2  LYS   7           HE2      LYS   7  13.674   7.777  -1.352
   61    HE3  LYS   7           HE1      LYS   7  14.946   8.692  -0.545
   62    HZ1  LYS   7           HZ1      LYS   7  15.809   6.047  -0.743
   63    HZ2  LYS   7           HZ2      LYS   7  16.429   7.410  -1.539
   64    HZ3  LYS   7           HZ3      LYS   7  15.201   6.488  -2.262
   65    H    ILE   8           HN       ILE   8  14.754   5.392   2.973
   66    HA   ILE   8           HA       ILE   8  17.332   6.104   2.117
   67    HB   ILE   8           HB       ILE   8  16.263   5.994   4.946
   68   HG12  ILE   8          HG12      ILE   8  15.187   7.417   2.917
   69   HG13  ILE   8          HG11      ILE   8  15.245   8.017   4.568
   70   HG21  ILE   8          HG21      ILE   8  18.662   6.215   4.997
   71   HG22  ILE   8          HG22      ILE   8  17.998   7.824   5.270
   72   HG23  ILE   8          HG23      ILE   8  18.642   7.391   3.686
   73   HD11  ILE   8          HD11      ILE   8  16.054   9.707   2.933
   74   HD12  ILE   8          HD12      ILE   8  17.332   8.598   2.444
   75   HD13  ILE   8          HD13      ILE   8  17.310   9.247   4.082
   76    H    ILE   9           HN       ILE   9  16.412   3.733   4.644
   77    HA   ILE   9           HA       ILE   9  19.020   2.757   5.067
   78    HB   ILE   9           HB       ILE   9  17.739   0.647   5.855
   79   HG12  ILE   9          HG12      ILE   9  15.305   2.190   6.217
   80   HG13  ILE   9          HG11      ILE   9  15.648   1.952   4.510
   81   HG21  ILE   9          HG21      ILE   9  16.995   3.278   7.150
   82   HG22  ILE   9          HG22      ILE   9  18.608   2.576   7.261
   83   HG23  ILE   9          HG23      ILE   9  17.227   1.720   7.941
   84   HD11  ILE   9          HD11      ILE   9  14.281   0.112   5.558
   85   HD12  ILE   9          HD12      ILE   9  15.688  -0.285   6.540
   86   HD13  ILE   9          HD13      ILE   9  15.766  -0.442   4.784
   87    H    HIS  10           HN       HIS  10  16.518   1.877   2.826
   88    HA   HIS  10           HA       HIS  10  17.644  -0.491   1.797
   89    HB2  HIS  10           HB2      HIS  10  15.268   0.644   1.453
   90    HB3  HIS  10           HB1      HIS  10  16.054   1.316   0.024
   91    HD2  HIS  10           HD2      HIS  10  15.145  -2.264   1.465
   92    HE1  HIS  10           HE1      HIS  10  16.049  -2.655  -2.637
   93    HE2  HIS  10           HE2      HIS  10  15.214  -3.884  -0.576
   94    H    HIS  11           HN       HIS  11  18.202   2.921   1.048
   95    HA   HIS  11           HA       HIS  11  19.624   2.432  -1.380
   96    HB2  HIS  11           HB2      HIS  11  19.278   4.784   0.448
   97    HB3  HIS  11           HB1      HIS  11  20.582   4.811  -0.736
   98    HD2  HIS  11           HD2      HIS  11  17.351   2.988  -1.878
   99    HE1  HIS  11           HE1      HIS  11  17.413   6.744  -3.799
  100    HE2  HIS  11           HE2      HIS  11  16.256   4.483  -3.716
  101    H    VAL  12           HN       VAL  12  20.509   2.847   1.991
  102    HA   VAL  12           HA       VAL  12  23.307   2.697   1.634
  103    HB   VAL  12           HB       VAL  12  22.288   1.674   4.160
  104   HG11  VAL  12          HG11      VAL  12  23.668   4.285   3.524
  105   HG12  VAL  12          HG12      VAL  12  24.531   2.749   3.659
  106   HG13  VAL  12          HG13      VAL  12  23.682   3.412   5.057
  107   HG21  VAL  12          HG21      VAL  12  21.222   4.307   3.110
  108   HG22  VAL  12          HG22      VAL  12  21.215   3.860   4.817
  109   HG23  VAL  12          HG23      VAL  12  20.290   2.917   3.657
  110    H    GLY  13           HN       GLY  13  20.742   0.401   2.317
  111    HA2  GLY  13           HA2      GLY  13  22.389  -1.909   2.588
  112    HA3  GLY  13           HA1      GLY  13  20.665  -1.906   2.246
  113    H    ASN  14           HN       ASN  14  20.763  -0.344  -0.105
  114    HA   ASN  14           HA       ASN  14  21.027  -2.268  -2.088
  115    HB2  ASN  14           HB2      ASN  14  19.759  -0.200  -2.394
  116    HB3  ASN  14           HB1      ASN  14  21.249   0.734  -2.352
  117   HD21  ASN  14          HD21      ASN  14  19.273  -1.386  -4.348
  118   HD22  ASN  14          HD22      ASN  14  20.209  -1.235  -5.754
  119    H    PHE  15           HN       PHE  15  23.489  -0.100  -0.771
  120    HA   PHE  15           HA       PHE  15  25.355  -0.545  -2.903
  121    HB2  PHE  15           HB2      PHE  15  25.396   0.783  -0.243
  122    HB3  PHE  15           HB1      PHE  15  26.943   0.202  -0.858
  123    HD1  PHE  15           HD1      PHE  15  28.153   1.558  -2.343
  124    HD2  PHE  15           HD2      PHE  15  23.901   2.079  -2.009
  125    HE1  PHE  15           HE1      PHE  15  28.275   3.497  -3.882
  126    HE2  PHE  15           HE2      PHE  15  24.025   4.025  -3.550
  127    HZ   PHE  15           HZ       PHE  15  26.213   4.730  -4.484
  128    H    VAL  16           HN       VAL  16  24.641  -1.876   0.210
  129    HA   VAL  16           HA       VAL  16  26.820  -3.675   0.369
  130    HB   VAL  16           HB       VAL  16  24.241  -4.307   1.706
  131   HG11  VAL  16          HG11      VAL  16  25.776  -4.524   3.643
  132   HG12  VAL  16          HG12      VAL  16  27.104  -3.945   2.638
  133   HG13  VAL  16          HG13      VAL  16  26.325  -5.485   2.269
  134   HG21  VAL  16          HG21      VAL  16  25.794  -1.737   2.106
  135   HG22  VAL  16          HG22      VAL  16  24.737  -2.407   3.350
  136   HG23  VAL  16          HG23      VAL  16  24.071  -1.922   1.795
  137    H    HIS  17           HN       HIS  17  23.455  -3.913  -0.629
  138    HA   HIS  17           HA       HIS  17  23.445  -6.644  -1.319
  139    HB2  HIS  17           HB2      HIS  17  21.769  -4.269  -2.022
  140    HB3  HIS  17           HB1      HIS  17  21.623  -5.709  -3.028
  141    HD2  HIS  17           HD2      HIS  17  21.047  -4.721   0.768
  142    HE1  HIS  17           HE1      HIS  17  19.191  -8.442   0.011
  143    HE2  HIS  17           HE2      HIS  17  19.517  -6.603   1.743
  144    H    GLY  18           HN       GLY  18  24.166  -3.716  -3.205
  145    HA2  GLY  18           HA2      GLY  18  24.673  -5.007  -5.677
  146    HA3  GLY  18           HA1      GLY  18  25.323  -3.437  -5.187
  147    H    PHE  19           HN       PHE  19  26.844  -3.953  -3.059
  148    HA   PHE  19           HA       PHE  19  29.254  -4.925  -4.081
  149    HB2  PHE  19           HB2      PHE  19  29.080  -3.471  -2.080
  150    HB3  PHE  19           HB1      PHE  19  28.355  -4.805  -1.186
  151    HD1  PHE  19           HD1      PHE  19  29.707  -6.941  -0.853
  152    HD2  PHE  19           HD2      PHE  19  31.448  -3.301  -2.338
  153    HE1  PHE  19           HE1      PHE  19  31.967  -7.787  -0.290
  154    HE2  PHE  19           HE2      PHE  19  33.706  -4.150  -1.769
  155    HZ   PHE  19           HZ       PHE  19  33.962  -6.392  -0.741
  156    H    SER  20           HN       SER  20  26.855  -6.454  -2.015
  157    HA   SER  20           HA       SER  20  28.111  -8.959  -1.774
  158    HB2  SER  20           HB2      SER  20  25.129  -8.458  -1.790
  159    HB3  SER  20           HB1      SER  20  25.983  -9.791  -1.019
  160    HG   SER  20           HG       SER  20  26.164  -7.016  -0.384
  161    H    HIS  21           HN       HIS  21  25.883  -7.648  -4.148
  162    HA   HIS  21           HA       HIS  21  25.504 -10.061  -5.609
  163    HB2  HIS  21           HB2      HIS  21  24.510  -7.429  -5.763
  164    HB3  HIS  21           HB1      HIS  21  25.329  -7.713  -7.295
  165    HD2  HIS  21           HD2      HIS  21  24.357 -10.134  -8.674
  166    HE1  HIS  21           HE1      HIS  21  20.685 -10.146  -6.584
  167    HE2  HIS  21           HE2      HIS  21  21.939 -11.129  -8.570
  168    H    VAL  22           HN       VAL  22  27.658  -7.266  -6.061
  169    HA   VAL  22           HA       VAL  22  28.942  -8.175  -8.387
  170    HB   VAL  22           HB       VAL  22  30.022  -6.464  -6.130
  171   HG11  VAL  22          HG11      VAL  22  31.708  -7.566  -7.750
  172   HG12  VAL  22          HG12      VAL  22  31.787  -5.815  -7.550
  173   HG13  VAL  22          HG13      VAL  22  31.013  -6.507  -8.980
  174   HG21  VAL  22          HG21      VAL  22  29.316  -5.244  -8.719
  175   HG22  VAL  22          HG22      VAL  22  28.918  -4.717  -7.082
  176   HG23  VAL  22          HG23      VAL  22  27.937  -5.951  -7.874
  177    H    PHE  23           HN       PHE  23  29.854  -8.574  -4.964
  178    HA   PHE  23           HA       PHE  23  32.058 -10.317  -5.615
  179    HB2  PHE  23           HB2      PHE  23  30.785  -9.294  -3.117
  180    HB3  PHE  23           HB1      PHE  23  31.733 -10.776  -3.007
  181    HD1  PHE  23           HD1      PHE  23  34.130 -10.783  -3.386
  182    HD2  PHE  23           HD2      PHE  23  31.841  -7.176  -3.846
  183    HE1  PHE  23           HE1      PHE  23  36.226  -9.458  -3.470
  184    HE2  PHE  23           HE2      PHE  23  33.937  -5.855  -3.929
  185    HZ   PHE  23           HZ       PHE  23  36.133  -6.995  -3.743
  186    HN1  NH2  24           H1       PHE  23  28.644 -10.797  -5.119
  187    HN2  NH2  24           H2       PHE  23  28.688 -12.496  -5.092
  Start of MODEL    9
    1    H1   VAL   1           HT1      VAL   1   6.238   9.256   6.855
    2    H2   VAL   1           HT2      VAL   1   7.625  10.172   6.508
    3    H3   VAL   1           HT3      VAL   1   6.368  10.842   7.429
    4    HA   VAL   1           HA       VAL   1   8.148  10.260   8.889
    5    HB   VAL   1           HB       VAL   1   6.062   8.073   9.164
    6   HG11  VAL   1          HG11      VAL   1   6.297   8.739  11.588
    7   HG12  VAL   1          HG12      VAL   1   7.608   9.817  11.111
    8   HG13  VAL   1          HG13      VAL   1   7.772   8.074  10.886
    9   HG21  VAL   1          HG21      VAL   1   5.718  11.024   9.164
   10   HG22  VAL   1          HG22      VAL   1   4.969  10.165  10.508
   11   HG23  VAL   1          HG23      VAL   1   4.543   9.753   8.849
   12    H    PHE   2           HN       PHE   2   7.380   7.022   9.166
   13    HA   PHE   2           HA       PHE   2   9.946   6.056   8.629
   14    HB2  PHE   2           HB2      PHE   2   7.828   4.090   8.117
   15    HB3  PHE   2           HB1      PHE   2   9.109   4.072   9.329
   16    HD1  PHE   2           HD1      PHE   2   8.796   5.172  11.506
   17    HD2  PHE   2           HD2      PHE   2   5.656   5.063   8.579
   18    HE1  PHE   2           HE1      PHE   2   7.166   5.872  13.229
   19    HE2  PHE   2           HE2      PHE   2   4.023   5.760  10.307
   20    HZ   PHE   2           HZ       PHE   2   4.774   6.164  12.636
   21    H    GLN   3           HN       GLN   3   7.228   6.605   6.552
   22    HA   GLN   3           HA       GLN   3   7.960   5.078   4.309
   23    HB2  GLN   3           HB2      GLN   3   6.662   7.805   4.150
   24    HB3  GLN   3           HB1      GLN   3   6.446   6.428   3.067
   25    HG2  GLN   3           HG2      GLN   3   4.559   6.109   4.318
   26    HG3  GLN   3           HG1      GLN   3   5.684   5.283   5.390
   27   HE21  GLN   3          HE21      GLN   3   3.162   7.200   5.732
   28   HE22  GLN   3          HE22      GLN   3   3.673   8.207   6.999
   29    H    PHE   4           HN       PHE   4   9.212   8.100   5.551
   30    HA   PHE   4           HA       PHE   4  10.588   8.830   3.129
   31    HB2  PHE   4           HB2      PHE   4  10.156   9.967   5.742
   32    HB3  PHE   4           HB1      PHE   4  11.874  10.014   5.354
   33    HD1  PHE   4           HD1      PHE   4  12.241  12.310   4.823
   34    HD2  PHE   4           HD2      PHE   4   8.983  10.196   2.977
   35    HE1  PHE   4           HE1      PHE   4  11.827  14.246   3.325
   36    HE2  PHE   4           HE2      PHE   4   8.575  12.133   1.480
   37    HZ   PHE   4           HZ       PHE   4   9.990  14.158   1.657
   38    H    LEU   5           HN       LEU   5  11.373   7.156   6.101
   39    HA   LEU   5           HA       LEU   5  14.147   6.855   5.564
   40    HB2  LEU   5           HB2      LEU   5  12.756   4.853   7.254
   41    HB3  LEU   5           HB1      LEU   5  14.256   5.729   7.551
   42    HG   LEU   5           HG       LEU   5  11.469   6.939   7.709
   43   HD11  LEU   5          HD11      LEU   5  11.763   6.917  10.102
   44   HD12  LEU   5          HD12      LEU   5  13.420   6.341   9.947
   45   HD13  LEU   5          HD13      LEU   5  12.078   5.281   9.521
   46   HD21  LEU   5          HD21      LEU   5  12.826   8.793   8.864
   47   HD22  LEU   5          HD22      LEU   5  13.006   8.672   7.118
   48   HD23  LEU   5          HD23      LEU   5  14.255   8.026   8.178
   49    H    GLY   6           HN       GLY   6  11.260   5.085   4.781
   50    HA2  GLY   6           HA2      GLY   6  12.243   2.568   4.172
   51    HA3  GLY   6           HA1      GLY   6  10.869   3.303   3.369
   52    H    LYS   7           HN       LYS   7  12.111   5.390   1.934
   53    HA   LYS   7           HA       LYS   7  13.289   3.876  -0.187
   54    HB2  LYS   7           HB2      LYS   7  13.770   6.763  -0.327
   55    HB3  LYS   7           HB1      LYS   7  12.975   5.694  -1.478
   56    HG2  LYS   7           HG2      LYS   7  11.138   6.923  -0.850
   57    HG3  LYS   7           HG1      LYS   7  11.077   5.722   0.439
   58    HD2  LYS   7           HD2      LYS   7  11.315   7.369   1.934
   59    HD3  LYS   7           HD1      LYS   7  12.923   7.691   1.292
   60    HE2  LYS   7           HE2      LYS   7  10.319   8.920   0.329
   61    HE3  LYS   7           HE1      LYS   7  11.595   9.739   1.228
   62    HZ1  LYS   7           HZ1      LYS   7  13.047   8.883  -0.746
   63    HZ2  LYS   7           HZ2      LYS   7  12.128  10.303  -0.905
   64    HZ3  LYS   7           HZ3      LYS   7  11.564   8.844  -1.560
   65    H    ILE   8           HN       ILE   8  14.462   5.811   2.450
   66    HA   ILE   8           HA       ILE   8  17.125   6.160   1.591
   67    HB   ILE   8           HB       ILE   8  16.033   5.937   4.408
   68   HG12  ILE   8          HG12      ILE   8  15.064   7.705   2.803
   69   HG13  ILE   8          HG11      ILE   8  15.692   8.273   4.345
   70   HG21  ILE   8          HG21      ILE   8  18.059   7.394   4.901
   71   HG22  ILE   8          HG22      ILE   8  18.643   6.986   3.288
   72   HG23  ILE   8          HG23      ILE   8  18.420   5.717   4.493
   73   HD11  ILE   8          HD11      ILE   8  17.665   8.125   2.134
   74   HD12  ILE   8          HD12      ILE   8  17.455   9.357   3.380
   75   HD13  ILE   8          HD13      ILE   8  16.410   9.353   1.963
   76    H    ILE   9           HN       ILE   9  15.745   3.720   3.839
   77    HA   ILE   9           HA       ILE   9  18.129   2.240   4.128
   78    HB   ILE   9           HB       ILE   9  16.488   0.306   4.631
   79   HG12  ILE   9          HG12      ILE   9  14.279   1.873   5.341
   80   HG13  ILE   9          HG11      ILE   9  14.675   2.395   3.709
   81   HG21  ILE   9          HG21      ILE   9  15.837   1.499   6.806
   82   HG22  ILE   9          HG22      ILE   9  16.640   2.921   6.144
   83   HG23  ILE   9          HG23      ILE   9  17.555   1.443   6.430
   84   HD11  ILE   9          HD11      ILE   9  14.731  -0.025   3.023
   85   HD12  ILE   9          HD12      ILE   9  13.144   0.542   3.536
   86   HD13  ILE   9          HD13      ILE   9  14.124  -0.434   4.627
   87    H    HIS  10           HN       HIS  10  15.598   2.176   1.781
   88    HA   HIS  10           HA       HIS  10  16.124  -0.206   0.438
   89    HB2  HIS  10           HB2      HIS  10  14.635   2.244  -0.056
   90    HB3  HIS  10           HB1      HIS  10  15.330   1.595  -1.540
   91    HD2  HIS  10           HD2      HIS  10  13.166   0.106   1.455
   92    HE1  HIS  10           HE1      HIS  10  12.155  -1.879  -2.128
   93    HE2  HIS  10           HE2      HIS  10  11.620  -1.681   0.351
   94    H    HIS  11           HN       HIS  11  17.709   2.950   0.162
   95    HA   HIS  11           HA       HIS  11  19.185   2.266  -2.205
   96    HB2  HIS  11           HB2      HIS  11  19.216   4.508  -0.225
   97    HB3  HIS  11           HB1      HIS  11  20.656   4.253  -1.213
   98    HD2  HIS  11           HD2      HIS  11  16.906   5.324  -1.693
   99    HE1  HIS  11           HE1      HIS  11  18.892   5.737  -5.395
  100    HE2  HIS  11           HE2      HIS  11  16.715   6.177  -4.155
  101    H    VAL  12           HN       VAL  12  19.798   2.305   1.247
  102    HA   VAL  12           HA       VAL  12  22.487   1.534   1.213
  103    HB   VAL  12           HB       VAL  12  20.817   0.503   3.405
  104   HG11  VAL  12          HG11      VAL  12  23.240   0.717   3.600
  105   HG12  VAL  12          HG12      VAL  12  22.467   1.865   4.700
  106   HG13  VAL  12          HG13      VAL  12  23.145   2.424   3.171
  107   HG21  VAL  12          HG21      VAL  12  20.818   3.442   2.645
  108   HG22  VAL  12          HG22      VAL  12  20.343   2.837   4.232
  109   HG23  VAL  12          HG23      VAL  12  19.416   2.386   2.808
  110    H    GLY  13           HN       GLY  13  19.487  -0.251   1.026
  111    HA2  GLY  13           HA2      GLY  13  20.458  -2.864   1.420
  112    HA3  GLY  13           HA1      GLY  13  19.026  -2.448   0.482
  113    H    ASN  14           HN       ASN  14  20.380  -0.758  -1.382
  114    HA   ASN  14           HA       ASN  14  21.140  -2.652  -3.335
  115    HB2  ASN  14           HB2      ASN  14  20.851  -0.906  -4.709
  116    HB3  ASN  14           HB1      ASN  14  20.509   0.086  -3.292
  117   HD21  ASN  14          HD21      ASN  14  22.292   1.378  -2.395
  118   HD22  ASN  14          HD22      ASN  14  23.693   1.676  -3.319
  119    H    PHE  15           HN       PHE  15  22.979  -0.850  -0.948
  120    HA   PHE  15           HA       PHE  15  25.528  -1.186  -2.185
  121    HB2  PHE  15           HB2      PHE  15  24.611  -0.515   0.603
  122    HB3  PHE  15           HB1      PHE  15  26.305  -0.885   0.288
  123    HD1  PHE  15           HD1      PHE  15  23.522   1.418  -0.566
  124    HD2  PHE  15           HD2      PHE  15  27.729   0.637  -0.914
  125    HE1  PHE  15           HE1      PHE  15  23.870   3.709  -1.445
  126    HE2  PHE  15           HE2      PHE  15  28.074   2.930  -1.793
  127    HZ   PHE  15           HZ       PHE  15  26.148   4.465  -2.062
  128    H    VAL  16           HN       VAL  16  23.578  -2.926   0.096
  129    HA   VAL  16           HA       VAL  16  25.400  -4.920   0.828
  130    HB   VAL  16           HB       VAL  16  22.501  -5.542   0.588
  131   HG11  VAL  16          HG11      VAL  16  24.622  -6.618   1.927
  132   HG12  VAL  16          HG12      VAL  16  22.945  -6.806   2.434
  133   HG13  VAL  16          HG13      VAL  16  23.951  -5.555   3.164
  134   HG21  VAL  16          HG21      VAL  16  23.667  -3.280   2.242
  135   HG22  VAL  16          HG22      VAL  16  22.139  -4.051   2.643
  136   HG23  VAL  16          HG23      VAL  16  22.318  -3.201   1.118
  137    H    HIS  17           HN       HIS  17  22.920  -4.782  -1.679
  138    HA   HIS  17           HA       HIS  17  23.524  -7.308  -2.829
  139    HB2  HIS  17           HB2      HIS  17  21.392  -6.115  -3.294
  140    HB3  HIS  17           HB1      HIS  17  22.298  -4.874  -4.165
  141    HD2  HIS  17           HD2      HIS  17  23.465  -5.779  -6.640
  142    HE1  HIS  17           HE1      HIS  17  21.309  -9.408  -6.755
  143    HE2  HIS  17           HE2      HIS  17  22.819  -7.857  -8.086
  144    H    GLY  18           HN       GLY  18  24.556  -3.971  -3.464
  145    HA2  GLY  18           HA2      GLY  18  26.186  -4.453  -5.702
  146    HA3  GLY  18           HA1      GLY  18  26.431  -3.144  -4.543
  147    H    PHE  19           HN       PHE  19  26.945  -4.427  -2.223
  148    HA   PHE  19           HA       PHE  19  29.640  -5.175  -2.390
  149    HB2  PHE  19           HB2      PHE  19  27.516  -5.295  -0.340
  150    HB3  PHE  19           HB1      PHE  19  28.822  -6.457  -0.127
  151    HD1  PHE  19           HD1      PHE  19  28.647  -2.895  -1.334
  152    HD2  PHE  19           HD2      PHE  19  30.411  -5.709   1.394
  153    HE1  PHE  19           HE1      PHE  19  30.096  -1.101  -0.415
  154    HE2  PHE  19           HE2      PHE  19  31.851  -3.918   2.303
  155    HZ   PHE  19           HZ       PHE  19  31.701  -1.615   1.408
  156    H    SER  20           HN       SER  20  26.725  -7.135  -2.112
  157    HA   SER  20           HA       SER  20  27.953  -9.654  -2.214
  158    HB2  SER  20           HB2      SER  20  25.229  -8.959  -3.324
  159    HB3  SER  20           HB1      SER  20  25.779 -10.528  -2.745
  160    HG   SER  20           HG       SER  20  25.226  -8.154  -1.278
  161    H    HIS  21           HN       HIS  21  26.812  -7.479  -4.713
  162    HA   HIS  21           HA       HIS  21  27.260  -9.148  -6.945
  163    HB2  HIS  21           HB2      HIS  21  26.365  -6.514  -6.519
  164    HB3  HIS  21           HB1      HIS  21  27.800  -6.359  -7.527
  165    HD2  HIS  21           HD2      HIS  21  24.828  -9.021  -7.731
  166    HE1  HIS  21           HE1      HIS  21  25.489  -7.353 -11.556
  167    HE2  HIS  21           HE2      HIS  21  24.113  -9.044 -10.244
  168    H    VAL  22           HN       VAL  22  29.280  -6.621  -5.444
  169    HA   VAL  22           HA       VAL  22  31.550  -7.084  -7.096
  170    HB   VAL  22           HB       VAL  22  31.451  -5.914  -4.300
  171   HG11  VAL  22          HG11      VAL  22  33.602  -6.442  -6.174
  172   HG12  VAL  22          HG12      VAL  22  33.691  -5.797  -4.537
  173   HG13  VAL  22          HG13      VAL  22  33.441  -4.707  -5.900
  174   HG21  VAL  22          HG21      VAL  22  30.031  -4.934  -6.342
  175   HG22  VAL  22          HG22      VAL  22  31.599  -4.274  -6.802
  176   HG23  VAL  22          HG23      VAL  22  30.895  -3.867  -5.238
  177    H    PHE  23           HN       PHE  23  30.513  -8.338  -3.952
  178    HA   PHE  23           HA       PHE  23  32.872  -9.819  -3.378
  179    HB2  PHE  23           HB2      PHE  23  30.059  -9.799  -2.372
  180    HB3  PHE  23           HB1      PHE  23  31.026 -11.236  -2.053
  181    HD1  PHE  23           HD1      PHE  23  31.947 -11.215   0.076
  182    HD2  PHE  23           HD2      PHE  23  31.731  -7.535  -2.125
  183    HE1  PHE  23           HE1      PHE  23  33.099 -10.040   1.931
  184    HE2  PHE  23           HE2      PHE  23  32.879  -6.360  -0.272
  185    HZ   PHE  23           HZ       PHE  23  33.569  -7.612   1.757
  186    HN1  NH2  24           H1       PHE  23  29.743 -10.839  -4.855
  187    HN2  NH2  24           H2       PHE  23  30.386 -12.230  -5.591
  Start of MODEL   10
    1    H1   VAL   1           HT1      VAL   1   8.173  10.689   9.378
    2    H2   VAL   1           HT2      VAL   1   7.888  12.083   8.456
    3    H3   VAL   1           HT3      VAL   1   9.285  11.154   8.197
    4    HA   VAL   1           HA       VAL   1   6.546  10.120   7.789
    5    HB   VAL   1           HB       VAL   1   8.511  11.179   5.727
    6   HG11  VAL   1          HG11      VAL   1   7.340   9.678   4.463
    7   HG12  VAL   1          HG12      VAL   1   6.115  10.943   4.462
    8   HG13  VAL   1          HG13      VAL   1   5.996   9.604   5.603
    9   HG21  VAL   1          HG21      VAL   1   6.307  12.703   5.417
   10   HG22  VAL   1          HG22      VAL   1   7.635  13.166   6.475
   11   HG23  VAL   1          HG23      VAL   1   6.196  12.404   7.149
   12    H    PHE   2           HN       PHE   2   6.782   7.992   8.146
   13    HA   PHE   2           HA       PHE   2   9.188   6.581   8.202
   14    HB2  PHE   2           HB2      PHE   2   6.378   5.586   7.717
   15    HB3  PHE   2           HB1      PHE   2   7.760   4.533   8.007
   16    HD1  PHE   2           HD1      PHE   2   5.088   6.163   9.566
   17    HD2  PHE   2           HD2      PHE   2   9.263   5.316  10.106
   18    HE1  PHE   2           HE1      PHE   2   4.842   6.505  12.011
   19    HE2  PHE   2           HE2      PHE   2   9.022   5.660  12.552
   20    HZ   PHE   2           HZ       PHE   2   6.804   6.250  13.509
   21    H    GLN   3           HN       GLN   3   6.973   7.193   5.552
   22    HA   GLN   3           HA       GLN   3   7.943   5.414   3.645
   23    HB2  GLN   3           HB2      GLN   3   6.518   7.993   3.584
   24    HB3  GLN   3           HB1      GLN   3   7.442   7.629   2.127
   25    HG2  GLN   3           HG2      GLN   3   5.855   5.380   3.237
   26    HG3  GLN   3           HG1      GLN   3   4.920   6.715   2.567
   27   HE21  GLN   3          HE21      GLN   3   7.286   4.196   1.757
   28   HE22  GLN   3          HE22      GLN   3   7.121   4.347   0.074
   29    H    PHE   4           HN       PHE   4   9.393   8.303   4.948
   30    HA   PHE   4           HA       PHE   4  11.391   8.541   2.862
   31    HB2  PHE   4           HB2      PHE   4  10.859   9.913   5.476
   32    HB3  PHE   4           HB1      PHE   4  12.485   9.986   4.806
   33    HD1  PHE   4           HD1      PHE   4  12.888  11.952   3.681
   34    HD2  PHE   4           HD2      PHE   4   9.018  10.123   3.337
   35    HE1  PHE   4           HE1      PHE   4  12.193  13.725   2.105
   36    HE2  PHE   4           HE2      PHE   4   8.318  11.903   1.755
   37    HZ   PHE   4           HZ       PHE   4   9.907  13.702   1.137
   38    H    LEU   5           HN       LEU   5  11.192   7.313   6.154
   39    HA   LEU   5           HA       LEU   5  13.899   6.480   6.340
   40    HB2  LEU   5           HB2      LEU   5  11.761   5.100   7.901
   41    HB3  LEU   5           HB1      LEU   5  13.344   5.678   8.430
   42    HG   LEU   5           HG       LEU   5  10.950   7.434   7.759
   43   HD11  LEU   5          HD11      LEU   5  12.151   7.415  10.466
   44   HD12  LEU   5          HD12      LEU   5  11.260   5.961  10.015
   45   HD13  LEU   5          HD13      LEU   5  10.455   7.532   9.978
   46   HD21  LEU   5          HD21      LEU   5  13.765   7.994   7.907
   47   HD22  LEU   5          HD22      LEU   5  12.948   8.800   9.244
   48   HD23  LEU   5          HD23      LEU   5  12.438   9.102   7.585
   49    H    GLY   6           HN       GLY   6  10.954   5.040   5.154
   50    HA2  GLY   6           HA2      GLY   6  11.721   2.344   5.092
   51    HA3  GLY   6           HA1      GLY   6  10.518   3.082   4.048
   52    H    LYS   7           HN       LYS   7  12.089   4.868   2.574
   53    HA   LYS   7           HA       LYS   7  13.277   3.050   0.737
   54    HB2  LYS   7           HB2      LYS   7  14.036   5.202  -0.432
   55    HB3  LYS   7           HB1      LYS   7  12.305   4.910  -0.294
   56    HG2  LYS   7           HG2      LYS   7  12.415   7.117   0.400
   57    HG3  LYS   7           HG1      LYS   7  12.567   6.301   1.948
   58    HD2  LYS   7           HD2      LYS   7  14.378   7.686   2.126
   59    HD3  LYS   7           HD1      LYS   7  15.157   6.352   1.286
   60    HE2  LYS   7           HE2      LYS   7  15.671   8.545   0.247
   61    HE3  LYS   7           HE1      LYS   7  14.819   7.473  -0.865
   62    HZ1  LYS   7           HZ1      LYS   7  12.827   8.629  -0.536
   63    HZ2  LYS   7           HZ2      LYS   7  14.000   9.841  -0.698
   64    HZ3  LYS   7           HZ3      LYS   7  13.401   9.433   0.835
   65    H    ILE   8           HN       ILE   8  14.484   5.020   3.318
   66    HA   ILE   8           HA       ILE   8  17.154   5.298   2.606
   67    HB   ILE   8           HB       ILE   8  15.921   4.884   5.341
   68   HG12  ILE   8          HG12      ILE   8  15.437   6.947   3.814
   69   HG13  ILE   8          HG11      ILE   8  15.878   7.223   5.497
   70   HG21  ILE   8          HG21      ILE   8  18.223   4.261   5.581
   71   HG22  ILE   8          HG22      ILE   8  18.094   5.923   6.151
   72   HG23  ILE   8          HG23      ILE   8  18.760   5.590   4.552
   73   HD11  ILE   8          HD11      ILE   8  18.172   7.691   4.878
   74   HD12  ILE   8          HD12      ILE   8  17.109   8.686   3.882
   75   HD13  ILE   8          HD13      ILE   8  17.850   7.237   3.202
   76    H    ILE   9           HN       ILE   9  15.749   2.632   4.575
   77    HA   ILE   9           HA       ILE   9  18.104   1.120   4.784
   78    HB   ILE   9           HB       ILE   9  16.461  -0.863   4.973
   79   HG12  ILE   9          HG12      ILE   9  14.313   1.138   5.421
   80   HG13  ILE   9          HG11      ILE   9  14.724   0.823   3.737
   81   HG21  ILE   9          HG21      ILE   9  17.353   0.140   6.959
   82   HG22  ILE   9          HG22      ILE   9  15.612   0.043   7.193
   83   HG23  ILE   9          HG23      ILE   9  16.356   1.580   6.759
   84   HD11  ILE   9          HD11      ILE   9  13.046  -0.729   5.318
   85   HD12  ILE   9          HD12      ILE   9  14.556  -1.639   5.291
   86   HD13  ILE   9          HD13      ILE   9  13.755  -1.212   3.777
   87    H    HIS  10           HN       HIS  10  15.642   1.231   2.354
   88    HA   HIS  10           HA       HIS  10  16.513  -0.940   0.767
   89    HB2  HIS  10           HB2      HIS  10  14.253   0.183   0.689
   90    HB3  HIS  10           HB1      HIS  10  15.015   1.520  -0.159
   91    HD2  HIS  10           HD2      HIS  10  16.642  -1.666  -1.420
   92    HE1  HIS  10           HE1      HIS  10  13.398  -0.947  -4.032
   93    HE2  HIS  10           HE2      HIS  10  15.522  -2.308  -3.693
   94    H    HIS  11           HN       HIS  11  17.451   2.454   0.939
   95    HA   HIS  11           HA       HIS  11  18.858   2.476  -1.562
   96    HB2  HIS  11           HB2      HIS  11  18.591   4.295   0.784
   97    HB3  HIS  11           HB1      HIS  11  20.032   4.487  -0.213
   98    HD2  HIS  11           HD2      HIS  11  16.331   3.771  -1.493
   99    HE1  HIS  11           HE1      HIS  11  17.797   7.266  -3.355
  100    HE2  HIS  11           HE2      HIS  11  15.838   5.649  -3.239
  101    H    VAL  12           HN       VAL  12  19.657   1.909   1.789
  102    HA   VAL  12           HA       VAL  12  22.445   1.692   1.473
  103    HB   VAL  12           HB       VAL  12  21.118   0.083   3.565
  104   HG11  VAL  12          HG11      VAL  12  22.982   2.385   3.989
  105   HG12  VAL  12          HG12      VAL  12  23.608   0.907   3.250
  106   HG13  VAL  12          HG13      VAL  12  22.879   0.861   4.859
  107   HG21  VAL  12          HG21      VAL  12  20.523   2.973   3.068
  108   HG22  VAL  12          HG22      VAL  12  20.745   2.449   4.735
  109   HG23  VAL  12          HG23      VAL  12  19.494   1.716   3.741
  110    H    GLY  13           HN       GLY  13  19.853  -0.718   1.596
  111    HA2  GLY  13           HA2      GLY  13  21.423  -3.025   1.299
  112    HA3  GLY  13           HA1      GLY  13  19.748  -2.879   0.786
  113    H    ASN  14           HN       ASN  14  19.956  -0.877  -1.084
  114    HA   ASN  14           HA       ASN  14  20.653  -2.249  -3.417
  115    HB2  ASN  14           HB2      ASN  14  19.146  -0.479  -3.713
  116    HB3  ASN  14           HB1      ASN  14  20.136   0.649  -2.790
  117   HD21  ASN  14          HD21      ASN  14  20.449  -1.380  -5.772
  118   HD22  ASN  14          HD22      ASN  14  21.283  -0.193  -6.653
  119    H    PHE  15           HN       PHE  15  22.585  -0.272  -1.247
  120    HA   PHE  15           HA       PHE  15  24.765   0.082  -3.096
  121    HB2  PHE  15           HB2      PHE  15  24.061   1.360  -0.798
  122    HB3  PHE  15           HB1      PHE  15  25.291   0.257  -0.181
  123    HD1  PHE  15           HD1      PHE  15  24.641   2.803  -2.838
  124    HD2  PHE  15           HD2      PHE  15  27.600   0.666  -0.563
  125    HE1  PHE  15           HE1      PHE  15  26.421   4.251  -3.792
  126    HE2  PHE  15           HE2      PHE  15  29.375   2.113  -1.513
  127    HZ   PHE  15           HZ       PHE  15  28.786   3.902  -3.129
  128    H    VAL  16           HN       VAL  16  24.027  -1.865  -0.293
  129    HA   VAL  16           HA       VAL  16  26.392  -3.352  -0.180
  130    HB   VAL  16           HB       VAL  16  23.802  -4.579   0.631
  131   HG11  VAL  16          HG11      VAL  16  25.130  -5.130   2.606
  132   HG12  VAL  16          HG12      VAL  16  26.441  -4.092   2.038
  133   HG13  VAL  16          HG13      VAL  16  26.029  -5.561   1.153
  134   HG21  VAL  16          HG21      VAL  16  24.761  -1.869   1.409
  135   HG22  VAL  16          HG22      VAL  16  24.266  -2.920   2.734
  136   HG23  VAL  16          HG23      VAL  16  23.136  -2.542   1.444
  137    H    HIS  17           HN       HIS  17  23.459  -3.703  -2.039
  138    HA   HIS  17           HA       HIS  17  23.806  -6.324  -2.987
  139    HB2  HIS  17           HB2      HIS  17  21.777  -4.884  -3.402
  140    HB3  HIS  17           HB1      HIS  17  22.722  -4.001  -4.605
  141    HD2  HIS  17           HD2      HIS  17  21.668  -5.045  -6.955
  142    HE1  HIS  17           HE1      HIS  17  22.144  -9.136  -6.010
  143    HE2  HIS  17           HE2      HIS  17  21.480  -7.500  -7.835
  144    H    GLY  18           HN       GLY  18  25.100  -3.221  -4.082
  145    HA2  GLY  18           HA2      GLY  18  26.462  -4.080  -6.382
  146    HA3  GLY  18           HA1      GLY  18  26.950  -2.720  -5.371
  147    H    PHE  19           HN       PHE  19  27.466  -3.972  -2.985
  148    HA   PHE  19           HA       PHE  19  30.054  -5.068  -3.432
  149    HB2  PHE  19           HB2      PHE  19  29.549  -3.804  -1.384
  150    HB3  PHE  19           HB1      PHE  19  28.356  -5.017  -0.916
  151    HD1  PHE  19           HD1      PHE  19  29.030  -6.949   0.309
  152    HD2  PHE  19           HD2      PHE  19  31.952  -4.568  -1.744
  153    HE1  PHE  19           HE1      PHE  19  30.854  -8.270   1.364
  154    HE2  PHE  19           HE2      PHE  19  33.765  -5.882  -0.699
  155    HZ   PHE  19           HZ       PHE  19  33.224  -7.732   0.852
  156    H    SER  20           HN       SER  20  26.900  -6.352  -2.595
  157    HA   SER  20           HA       SER  20  27.552  -9.011  -2.092
  158    HB2  SER  20           HB2      SER  20  25.085  -8.135  -3.595
  159    HB3  SER  20           HB1      SER  20  25.263  -9.532  -2.536
  160    HG   SER  20           HG       SER  20  25.628  -6.838  -1.684
  161    H    HIS  21           HN       HIS  21  26.989  -7.323  -5.108
  162    HA   HIS  21           HA       HIS  21  27.122  -9.504  -6.881
  163    HB2  HIS  21           HB2      HIS  21  26.486  -7.086  -7.415
  164    HB3  HIS  21           HB1      HIS  21  28.216  -6.745  -7.465
  165    HD2  HIS  21           HD2      HIS  21  26.072  -9.651  -9.190
  166    HE1  HIS  21           HE1      HIS  21  28.761  -8.019 -12.003
  167    HE2  HIS  21           HE2      HIS  21  26.958  -9.773 -11.644
  168    H    VAL  22           HN       VAL  22  29.625  -7.447  -5.461
  169    HA   VAL  22           HA       VAL  22  31.806  -8.695  -6.833
  170    HB   VAL  22           HB       VAL  22  31.951  -7.235  -4.186
  171   HG11  VAL  22          HG11      VAL  22  34.003  -8.332  -4.977
  172   HG12  VAL  22          HG12      VAL  22  34.163  -6.581  -5.058
  173   HG13  VAL  22          HG13      VAL  22  33.855  -7.503  -6.527
  174   HG21  VAL  22          HG21      VAL  22  31.179  -6.238  -6.858
  175   HG22  VAL  22          HG22      VAL  22  32.514  -5.354  -6.119
  176   HG23  VAL  22          HG23      VAL  22  30.970  -5.486  -5.276
  177    H    PHE  23           HN       PHE  23  30.259  -9.067  -3.676
  178    HA   PHE  23           HA       PHE  23  31.991 -10.976  -2.566
  179    HB2  PHE  23           HB2      PHE  23  30.103  -9.749  -1.395
  180    HB3  PHE  23           HB1      PHE  23  28.998 -10.897  -2.151
  181    HD1  PHE  23           HD1      PHE  23  28.969 -13.247  -1.504
  182    HD2  PHE  23           HD2      PHE  23  31.723 -10.494   0.300
  183    HE1  PHE  23           HE1      PHE  23  29.474 -14.913   0.265
  184    HE2  PHE  23           HE2      PHE  23  32.229 -12.158   2.069
  185    HZ   PHE  23           HZ       PHE  23  31.107 -14.368   2.052
  186    HN1  NH2  24           H1       PHE  23  28.979 -11.534  -4.463
  187    HN2  NH2  24           H2       PHE  23  29.377 -13.132  -4.889