*HEADER    HORMONE RECEPTOR                        06-MAY-15   2N2F              
*TITLE     SOLUTION NMR STRUCTURE OF DYNORPHIN 1-13 BOUND TO KAPPA OPIOID        
*TITLE    2 RECEPTOR                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DYNORPHIN A(1-13);                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 207-219;                                          
*COMPND   5 SYNONYM: PROENKEPHALIN-B, BETA-NEOENDORPHIN-DYNORPHIN,               
*COMPND   6 PREPRODYNORPHIN;                                                     
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: SYNTHESIS OF THE PEPTIDE WAS PERFORMED BY A SOLID     
*SOURCE   7 PHASE METHOD USING FMOC CHEMISTRY.                                   
*KEYWDS    GPCR, HORMONE RECEPTOR                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    C.O'CONNOR, K.WHITE, N.DONCESCU, T.DIDENKO, B.L.ROTH, G.CZAPLICKI,    
*AUTHOR   2 R.C.STEVENS, K.WUTHRICH, A.MILON                                     
*REVDAT   1   09-SEP-15 2N2F    0                                                


#
#    4  PHE HA       7  ARG HN        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  41, 102, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#    3  GLY CA       6  ARG HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  78, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4  PHE CG       7  ARG HN        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 102, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4  PHE CG       7  ARG HA        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 104, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    1  TYR CB       3  GLY HN        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1  TYR CG       3  GLY HN        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  32, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    1  TYR CZ       3  GLY CA        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  33, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    3  GLY HN       5  LEU HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  59, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    3  GLY CA       5  LEU HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  59, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    4  PHE CG       6  ARG CB        6.3
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  81, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#    4  PHE CZ       6  ARG HA        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  80, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6  ARG HA       8  ILE HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 126, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    7  ARG HA       9  ARG HN        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 145, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9  ARG HA      11  LYS HN        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 183, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    1  TYR HA       2  GLY HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat=   6,  25, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    1  TYR CB       2  GLY HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  25, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    1  TYR CB       2  GLY CA        5.3
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  26, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#    2  GLY HN       3  GLY HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  32, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    3  GLY HN       4  PHE HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  39, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    3  GLY CA       4  PHE HN        3.7
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  39, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    3  GLY CA       4  PHE CG        8.0
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  45, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    4  PHE HN       5  LEU CB        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4  PHE HN       5  LEU HG        3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  66, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    4  PHE HA       5  LEU HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  59, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    4  PHE HA       5  LEU CB        6.0
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4  PHE CB       5  LEU HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  59, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    6  ARG HA       7  ARG HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 102, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#    7  ARG HA       8  ILE HN        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 126, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8  ILE HN       9  ARG HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8  ILE HA       9  ARG HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 145, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    8  ILE CG2      9  ARG HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 131, 145, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   10  PRO HA      11  LYS HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 183, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   10  PRO CB      11  LYS HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   10  PRO CG      11  LYS HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   10  PRO CD      11  LYS HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 183, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   11  LYS HN      12  LEU HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 205, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11  LYS HN      12  LEU CG        7.0
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 211, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   11  LYS HA      12  LEU HN        2.7
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 205, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   11  LYS CB      12  LEU HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 205, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   12  LEU HN      13  LYS HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 224, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   12  LEU HN      13  LYS HA        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 226, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12  LEU HA      13  LYS HN        3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 207, 224, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   12  LEU CB      13  LYS HN        4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    1  TYR CG       2  GLY HN        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  25, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    3  GLY HN       4  PHE HA        5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  41, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3  GLY HN       4  PHE CG        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  32,  45, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4  PHE CG       5  LEU HN        5.3
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#    4  PHE CG       5  LEU HG        5.3
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  66, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#    4  PHE CZ       5  LEU HG        7.0
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  66, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4  PHE CG       5  LEU CG        7.3
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  65, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,  &end
#
#    4  PHE CZ       5  LEU CG        7.3
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  65, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,  &end
#
#    8  ILE HB       9  ARG CD        3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 130, 154, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    9  ARG CB      10  PRO CD        5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 169, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#    9  ARG CD      10  PRO CD        5.3
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 169, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   10  PRO HA      11  LYS HA        5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 185, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11  LYS CG      12  LEU HN        6.0
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 205, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2  GLY HN       2  GLY HA2       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    2  GLY HN       2  GLY HA3       3.0
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  28, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,22,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA2 HA3
 &rst iat=24,29,27,28, &end
#
#  chirality for residue 3 atoms:  N C HA2 HA3
 &rst iat=31,36,34,35, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=40,45,43,44, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=38,56,41,42, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=60,65,63,64, &end
#
#  chirality for residue 5 atoms:  CB CD1 CD2 HG
 &rst iat=62,67,71,66, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=58,75,61,62, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=79,84,82,83, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=81,87,85,86, &end
#
#  chirality for residue 6 atoms:  CG NE HD2 HD3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=77,99,80,81, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=103,108,106,107, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=105,111,109,110, &end
#
#  chirality for residue 7 atoms:  CG NE HD2 HD3
 &rst iat=108,114,112,113, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=101,123,104,105, &end
#
#  chirality for residue 8 atoms:  CA CG2 CG1 HB
 &rst iat=127,131,135,130, &end
#
#  chirality for residue 8 atoms:  CB CD1 HG12 HG13
 &rst iat=129,138,136,137, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=125,142,128,129, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=148,154,152,153, &end
#
#  chirality for residue 9 atoms:  CG NE HD2 HD3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=144,166,147,148, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=178,172,176,177, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=175,169,173,174, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=172,168,170,171, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=168,180,179,175, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=184,189,187,188, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=186,192,190,191, &end
#
#  chirality for residue 11 atoms:  CD NZ HE2 HE3
 &rst iat=192,198,196,197, &end
#
#  chirality for residue 11 atoms:  CG CE HD2 HD3
 &rst iat=189,195,193,194, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=182,202,185,186, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=206,211,209,210, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=208,213,217,212, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=204,221,207,208, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=227,233,231,232, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=230,236,234,235, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=223,243,226,227, &end
#
#  trans-omega constraint for residue 2
 &rst iat=26,24,22,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,26, &end
#
#  trans-omega constraint for residue 4
 &rst iat=40,38,36,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=60,58,56,40, &end
#
#  trans-omega constraint for residue 6
 &rst iat=79,77,75,60, &end
#
#  trans-omega constraint for residue 7
 &rst iat=103,101,99,79, &end
#
#  trans-omega constraint for residue 8
 &rst iat=127,125,123,103, &end
#
#  trans-omega constraint for residue 9
 &rst iat=146,144,142,127, &end
#
#  trans-omega constraint for residue 10
 &rst iat=178,168,166,146, &end
#
#  trans-omega constraint for residue 11
 &rst iat=184,182,180,178, &end
#
#  trans-omega constraint for residue 12
 &rst iat=206,204,202,184, &end
#
#  trans-omega constraint for residue 13
 &rst iat=225,223,221,206, &end
# 33130 atoms read from pdb file sys.pdb.
# 2 GLY OMEGA:  (1 TYR CA)-(1 TYR C)-(2 GLY N)-(2 GLY CA) 170.0 190.0
 &rst     iat =     5,    22,    24,    26,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
   rk2 =   2.0, rk3 =   2.0,    &end

# 3 GLY OMEGA:  (2 GLY CA)-(2 GLY C)-(3 GLY N)-(3 GLY CA) 170.0 190.0
 &rst     iat =    26,    29,    31,    33,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 4 PHE OMEGA:  (3 GLY CA)-(3 GLY C)-(4 PHE N)-(4 PHE CA) 170.0 190.0
 &rst     iat =    33,    36,    38,    40,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 5 LEU OMEGA:  (4 PHE CA)-(4 PHE C)-(5 LEU N)-(5 LEU CA) 170.0 190.0
 &rst     iat =    40,    56,    58,    60,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 6 ARG OMEGA:  (5 LEU CA)-(5 LEU C)-(6 ARG N)-(6 ARG CA) 170.0 190.0
 &rst     iat =    60,    75,    77,    79,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 7 ARG OMEGA:  (6 ARG CA)-(6 ARG C)-(7 ARG N)-(7 ARG CA) 170.0 190.0
 &rst     iat =    79,    99,   101,   103,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 8 ILE OMEGA:  (7 ARG CA)-(7 ARG C)-(8 ILE N)-(8 ILE CA) 170.0 190.0
 &rst     iat =   103,   123,   125,   127,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 9 ARG OMEGA:  (8 ILE CA)-(8 ILE C)-(9 ARG N)-(9 ARG CA) 170.0 190.0
 &rst     iat =   127,   142,   144,   146,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 10 PRO OMEGA:  (9 ARG CA)-(9 ARG C)-(10 PRO N)-(10 PRO CA) 170.0 190.0
 &rst     iat =   146,   166,   168,   178,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 11 LYS OMEGA:  (10 PRO CA)-(10 PRO C)-(11 LYS N)-(11 LYS CA) 170.0 190.0
 &rst     iat =   178,   180,   182,   184,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 12 LEU OMEGA:  (11 LYS CA)-(11 LYS C)-(12 LEU N)-(12 LEU CA) 170.0 190.0
 &rst     iat =   184,   202,   204,   206,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 13 LYS OMEGA:  (12 LEU CA)-(12 LEU C)-(13 LYS N)-(13 LYS CA) 170.0 190.0
 &rst     iat =   206,   221,   223,   225,
   r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
 &end

# 6 ARG PHI:  (5 LEU C)-(6 ARG N)-(6 ARG CA)-(6 ARG C) -74.0 -54.0
 &rst     iat =    75,    77,    79,    99,
   r1 = -75.0, r2 = -74.0, r3 = -54.0, r4 = -53.0,
 &end

# 6 ARG PSI:  (6 ARG N)-(6 ARG CA)-(6 ARG C)-(7 ARG N) -51.0 -31.0
 &rst     iat =    77,    79,    99,   101,
   r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0,
 &end

# 7 ARG PHI:  (6 ARG C)-(7 ARG N)-(7 ARG CA)-(7 ARG C) -74.0 -54.0
 &rst     iat =    99,   101,   103,   123,
   r1 = -75.0, r2 = -74.0, r3 = -54.0, r4 = -53.0,
 &end

# 7 ARG PSI:  (7 ARG N)-(7 ARG CA)-(7 ARG C)-(8 ILE N) -51.0 -31.0
 &rst     iat =   101,   103,   123,   125,
   r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TYR   1           H1       TYR   1  97.686 107.115  74.855
    2    H2   TYR   1           H2       TYR   1  97.760 108.727  74.500
    3    H3   TYR   1           H3       TYR   1  97.957 108.227  76.050
    4    HA   TYR   1           HA       TYR   1 100.050 108.819  75.169
    5    HB2  TYR   1           HB2      TYR   1  99.642 106.816  76.755
    6    HB3  TYR   1           HB3      TYR   1  99.973 105.802  75.372
    7    HD1  TYR   1           HD1      TYR   1 102.287 105.775  74.375
    8    HD2  TYR   1           HD2      TYR   1 101.353 108.081  77.900
    9    HE1  TYR   1           HE1      TYR   1 104.703 106.014  74.860
   10    HE2  TYR   1           HE2      TYR   1 103.779 108.305  78.390
   11    HH   TYR   1           HH       TYR   1 106.289 106.788  76.328
   12    H    GLY   2           H        GLY   2  99.222 109.505  72.966
   13    HA2  GLY   2           HA2      GLY   2 100.631 107.960  70.848
   14    HA3  GLY   2           HA3      GLY   2  98.940 108.432  70.608
   15    H    GLY   3           H        GLY   3 101.736 110.117  72.057
   16    HA2  GLY   3           HA2      GLY   3 101.071 112.598  70.528
   17    HA3  GLY   3           HA3      GLY   3 101.979 112.474  72.052
   18    H    PHE   4           H        PHE   4 103.582 110.163  70.653
   19    HA   PHE   4           HA       PHE   4 105.219 111.869  68.832
   20    HB2  PHE   4           HB2      PHE   4 106.319 111.943  70.945
   21    HB3  PHE   4           HB3      PHE   4 106.209 110.204  71.152
   22    HD1  PHE   4           HD1      PHE   4 107.398 112.450  68.338
   23    HD2  PHE   4           HD2      PHE   4 108.318 109.196  71.012
   24    HE1  PHE   4           HE1      PHE   4 109.469 111.982  67.063
   25    HE2  PHE   4           HE2      PHE   4 110.390 108.742  69.741
   26    HZ   PHE   4           HZ       PHE   4 110.944 110.088  67.736
   27    H    LEU   5           H        LEU   5 103.190 109.490  68.597
   28    HA   LEU   5           HA       LEU   5 104.692 107.839  66.650
   29    HB2  LEU   5           HB2      LEU   5 101.704 108.143  67.117
   30    HB3  LEU   5           HB3      LEU   5 102.489 106.964  66.071
   31    HG   LEU   5           HG       LEU   5 102.742 107.102  69.105
   32   HD11  LEU   5          HD11      LEU   5 100.583 106.271  68.294
   33   HD12  LEU   5          HD12      LEU   5 101.404 105.059  67.288
   34   HD13  LEU   5          HD13      LEU   5 101.522 104.987  69.063
   35   HD21  LEU   5          HD21      LEU   5 104.867 106.263  68.216
   36   HD22  LEU   5          HD22      LEU   5 103.945 104.919  68.891
   37   HD23  LEU   5          HD23      LEU   5 104.004 105.147  67.130
   38    H    ARG   6           H        ARG   6 103.393 110.987  66.828
   39    HA   ARG   6           HA       ARG   6 103.159 111.963  64.263
   40    HB2  ARG   6           HB2      ARG   6 104.756 113.084  66.623
   41    HB3  ARG   6           HB3      ARG   6 104.354 113.993  65.169
   42    HG2  ARG   6           HG2      ARG   6 101.901 113.266  65.673
   43    HG3  ARG   6           HG3      ARG   6 102.504 113.001  67.315
   44    HD2  ARG   6           HD2      ARG   6 103.235 115.337  67.447
   45    HD3  ARG   6           HD3      ARG   6 102.722 115.610  65.775
   46    HE   ARG   6           HE       ARG   6 100.422 115.045  66.448
   47   HH11  ARG   6          HH12      ARG   6 102.525 116.239  69.105
   48   HH12  ARG   6          HH11      ARG   6 101.102 116.752  69.998
   49   HH21  ARG   6          HH22      ARG   6  98.764 115.560  67.855
   50   HH22  ARG   6          HH21      ARG   6  99.149 116.374  69.367
   51    H    ARG   7           H        ARG   7 106.058 110.497  65.532
   52    HA   ARG   7           HA       ARG   7 108.090 111.416  63.887
   53    HB2  ARG   7           HB2      ARG   7 109.158 109.337  64.311
   54    HB3  ARG   7           HB3      ARG   7 108.252 109.776  65.752
   55    HG2  ARG   7           HG2      ARG   7 106.404 108.196  64.968
   56    HG3  ARG   7           HG3      ARG   7 107.462 107.722  63.632
   57    HD2  ARG   7           HD2      ARG   7 107.724 106.069  65.283
   58    HD3  ARG   7           HD3      ARG   7 109.196 107.059  65.345
   59    HE   ARG   7           HE       ARG   7 107.387 108.144  67.223
   60   HH11  ARG   7          HH22      ARG   7 109.273 105.163  66.816
   61   HH12  ARG   7          HH21      ARG   7 109.212 104.815  68.523
   62   HH21  ARG   7          HH12      ARG   7 107.322 107.572  69.392
   63   HH22  ARG   7          HH11      ARG   7 108.291 106.233  69.939
   64    H    ILE   8           H        ILE   8 105.329 109.511  62.857
   65    HA   ILE   8           HA       ILE   8 106.035 110.466  60.166
   66    HB   ILE   8           HB       ILE   8 104.708 108.478  59.199
   67   HG12  ILE   8          HG12      ILE   8 105.828 106.978  61.601
   68   HG13  ILE   8          HG13      ILE   8 104.166 107.541  61.546
   69   HG21  ILE   8          HG21      ILE   8 107.550 107.990  60.186
   70   HG22  ILE   8          HG22      ILE   8 106.771 107.253  58.773
   71   HG23  ILE   8          HG23      ILE   8 107.106 108.983  58.782
   72   HD11  ILE   8          HD11      ILE   8 103.773 106.207  59.481
   73   HD12  ILE   8          HD12      ILE   8 105.433 105.571  59.602
   74   HD13  ILE   8          HD13      ILE   8 104.249 105.217  60.873
   75    H    ARG   9           H        ARG   9 104.443 111.616  59.306
   76    HA   ARG   9           HA       ARG   9 102.597 112.863  59.088
   77    HB2  ARG   9           HB2      ARG   9 101.191 110.352  60.014
   78    HB3  ARG   9           HB3      ARG   9 100.361 111.823  59.535
   79    HG2  ARG   9           HG2      ARG   9 100.379 110.327  57.688
   80    HG3  ARG   9           HG3      ARG   9 101.319 111.767  57.310
   81    HD2  ARG   9           HD2      ARG   9 103.408 110.524  57.633
   82    HD3  ARG   9           HD3      ARG   9 102.500 109.080  58.131
   83    HE   ARG   9           HE       ARG   9 101.447 109.255  55.787
   84   HH11  ARG   9          HH21      ARG   9 104.817 110.377  56.259
   85   HH12  ARG   9          HH22      ARG   9 105.227 109.926  54.634
   86   HH21  ARG   9          HH12      ARG   9 101.998 108.945  53.770
   87   HH22  ARG   9          HH11      ARG   9 103.610 109.326  53.170
   88    HA   PRO  10           HA       PRO  10 102.710 114.126  63.524
   89    HB2  PRO  10           HB2      PRO  10 104.040 116.524  63.280
   90    HB3  PRO  10           HB3      PRO  10 104.867 114.949  63.240
   91    HG2  PRO  10           HG2      PRO  10 103.928 116.576  60.883
   92    HG3  PRO  10           HG3      PRO  10 105.559 115.912  61.184
   93    HD2  PRO  10           HD2      PRO  10 103.740 114.642  59.622
   94    HD3  PRO  10           HD3      PRO  10 104.811 113.716  60.716
   95    H    LYS  11           H        LYS  11 100.510 114.757  61.340
   96    HA   LYS  11           HA       LYS  11  99.156 116.619  63.200
   97    HB2  LYS  11           HB2      LYS  11 100.062 117.736  61.011
   98    HB3  LYS  11           HB3      LYS  11  98.821 116.830  60.177
   99    HG2  LYS  11           HG2      LYS  11  98.167 119.158  60.598
  100    HG3  LYS  11           HG3      LYS  11  97.064 118.045  61.383
  101    HD2  LYS  11           HD2      LYS  11  97.524 119.944  62.836
  102    HD3  LYS  11           HD3      LYS  11  98.139 118.472  63.563
  103    HE2  LYS  11           HE2      LYS  11 100.430 119.119  62.493
  104    HE3  LYS  11           HE3      LYS  11  99.698 120.702  62.194
  105    HZ1  LYS  11           HZ1      LYS  11 100.247 119.390  64.782
  106    HZ2  LYS  11           HZ2      LYS  11 100.781 120.843  64.300
  107    HZ3  LYS  11           HZ3      LYS  11  99.200 120.629  64.707
  108    H    LEU  12           H        LEU  12  99.171 113.633  62.502
  109    HA   LEU  12           HA       LEU  12  96.529 113.078  61.384
  110    HB2  LEU  12           HB2      LEU  12  98.614 111.789  60.947
  111    HB3  LEU  12           HB3      LEU  12  98.661 111.297  62.638
  112    HG   LEU  12           HG       LEU  12  96.657 109.938  62.350
  113   HD11  LEU  12          HD11      LEU  12  96.642 110.943  59.460
  114   HD12  LEU  12          HD12      LEU  12  95.650 109.607  60.086
  115   HD13  LEU  12          HD13      LEU  12  95.388 111.247  60.685
  116   HD21  LEU  12          HD21      LEU  12  98.658 109.490  60.096
  117   HD22  LEU  12          HD22      LEU  12  98.882 109.001  61.788
  118   HD23  LEU  12          HD23      LEU  12  97.592 108.267  60.818
  119    H    LYS  13           H        LYS  13  97.584 113.778  64.536
  120    HA   LYS  13           HA       LYS  13  95.051 113.415  65.791
  121    HB2  LYS  13           HB2      LYS  13  96.528 110.997  65.647
  122    HB3  LYS  13           HB3      LYS  13  96.838 111.601  67.272
  123    HG2  LYS  13           HG2      LYS  13  94.393 111.799  67.669
  124    HG3  LYS  13           HG3      LYS  13  94.069 111.333  66.001
  125    HD2  LYS  13           HD2      LYS  13  93.678 109.468  67.508
  126    HD3  LYS  13           HD3      LYS  13  94.996 109.103  66.385
  127    HE2  LYS  13           HE2      LYS  13  96.668 109.532  68.108
  128    HE3  LYS  13           HE3      LYS  13  95.420 110.081  69.242
  129    HZ1  LYS  13           HZ1      LYS  13  94.483 107.873  69.232
  130    HZ2  LYS  13           HZ2      LYS  13  95.560 107.357  68.085
  131    HZ3  LYS  13           HZ3      LYS  13  96.081 107.734  69.584
  Start of MODEL    2
    1    H1   TYR   1           H1       TYR   1  98.619 109.371  73.143
    2    H2   TYR   1           H2       TYR   1  97.180 109.148  73.902
    3    H3   TYR   1           H3       TYR   1  97.597 110.637  73.303
    4    HA   TYR   1           HA       TYR   1  97.048 108.211  71.759
    5    HB2  TYR   1           HB2      TYR   1  95.143 109.510  70.810
    6    HB3  TYR   1           HB3      TYR   1  94.980 109.030  72.484
    7    HD1  TYR   1           HD1      TYR   1  95.263 110.692  74.363
    8    HD2  TYR   1           HD2      TYR   1  94.956 111.847  70.209
    9    HE1  TYR   1           HE1      TYR   1  94.912 113.046  75.040
   10    HE2  TYR   1           HE2      TYR   1  94.551 114.202  70.910
   11    HH   TYR   1           HH       TYR   1  94.897 115.189  74.327
   12    H    GLY   2           H        GLY   2  99.114 108.288  70.817
   13    HA2  GLY   2           HA2      GLY   2 100.251 108.506  68.882
   14    HA3  GLY   2           HA3      GLY   2  98.991 109.590  68.273
   15    H    GLY   3           H        GLY   3 100.442 110.802  71.138
   16    HA2  GLY   3           HA2      GLY   3 100.990 113.226  69.813
   17    HA3  GLY   3           HA3      GLY   3 101.461 112.840  71.479
   18    H    PHE   4           H        PHE   4 103.245 110.615  70.433
   19    HA   PHE   4           HA       PHE   4 105.439 112.215  69.164
   20    HB2  PHE   4           HB2      PHE   4 105.865 111.525  71.529
   21    HB3  PHE   4           HB3      PHE   4 105.690 109.840  71.049
   22    HD1  PHE   4           HD1      PHE   4 107.656 112.966  70.380
   23    HD2  PHE   4           HD2      PHE   4 107.576 108.662  70.120
   24    HE1  PHE   4           HE1      PHE   4 110.026 112.966  69.652
   25    HE2  PHE   4           HE2      PHE   4 109.952 108.666  69.402
   26    HZ   PHE   4           HZ       PHE   4 111.178 110.817  69.159
   27    H    LEU   5           H        LEU   5 103.459 109.291  69.005
   28    HA   LEU   5           HA       LEU   5 104.794 107.978  66.859
   29    HB2  LEU   5           HB2      LEU   5 101.864 108.156  67.551
   30    HB3  LEU   5           HB3      LEU   5 102.514 107.056  66.349
   31    HG   LEU   5           HG       LEU   5 103.437 107.037  69.260
   32   HD11  LEU   5          HD11      LEU   5 101.346 105.318  67.888
   33   HD12  LEU   5          HD12      LEU   5 102.005 105.052  69.514
   34   HD13  LEU   5          HD13      LEU   5 101.048 106.498  69.183
   35   HD21  LEU   5          HD21      LEU   5 103.699 104.923  67.101
   36   HD22  LEU   5          HD22      LEU   5 105.026 105.981  67.637
   37   HD23  LEU   5          HD23      LEU   5 104.307 104.822  68.758
   38    H    ARG   6           H        ARG   6 103.308 111.047  66.844
   39    HA   ARG   6           HA       ARG   6 103.072 111.830  64.185
   40    HB2  ARG   6           HB2      ARG   6 104.523 113.040  66.572
   41    HB3  ARG   6           HB3      ARG   6 104.345 113.895  65.045
   42    HG2  ARG   6           HG2      ARG   6 101.856 113.666  65.207
   43    HG3  ARG   6           HG3      ARG   6 102.078 112.870  66.779
   44    HD2  ARG   6           HD2      ARG   6 103.386 114.972  67.465
   45    HD3  ARG   6           HD3      ARG   6 102.665 115.743  66.035
   46    HE   ARG   6           HE       ARG   6 100.458 114.728  67.181
   47   HH11  ARG   6          HH12      ARG   6 102.974 116.741  68.667
   48   HH12  ARG   6          HH11      ARG   6 101.970 117.030  70.082
   49   HH21  ARG   6          HH21      ARG   6  99.316 115.101  69.028
   50   HH22  ARG   6          HH22      ARG   6  99.994 116.154  70.266
   51    H    ARG   7           H        ARG   7 105.988 110.398  65.556
   52    HA   ARG   7           HA       ARG   7 108.019 111.233  63.930
   53    HB2  ARG   7           HB2      ARG   7 108.970 108.939  64.112
   54    HB3  ARG   7           HB3      ARG   7 108.487 109.695  65.615
   55    HG2  ARG   7           HG2      ARG   7 108.020 107.315  65.614
   56    HG3  ARG   7           HG3      ARG   7 106.567 108.268  65.835
   57    HD2  ARG   7           HD2      ARG   7 105.840 107.791  63.557
   58    HD3  ARG   7           HD3      ARG   7 107.373 106.992  63.195
   59    HE   ARG   7           HE       ARG   7 106.763 105.251  64.837
   60   HH11  ARG   7          HH12      ARG   7 103.935 107.221  63.864
   61   HH12  ARG   7          HH11      ARG   7 102.889 105.827  64.007
   62   HH21  ARG   7          HH21      ARG   7 105.239 103.612  65.060
   63   HH22  ARG   7          HH22      ARG   7 103.557 103.976  64.746
   64    H    ILE   8           H        ILE   8 105.229 109.691  62.662
   65    HA   ILE   8           HA       ILE   8 106.247 110.615  60.112
   66    HB   ILE   8           HB       ILE   8 104.931 108.911  58.826
   67   HG12  ILE   8          HG12      ILE   8 105.089 107.201  61.350
   68   HG13  ILE   8          HG13      ILE   8 103.618 107.937  60.716
   69   HG21  ILE   8          HG21      ILE   8 106.787 107.373  58.650
   70   HG22  ILE   8          HG22      ILE   8 107.430 108.976  58.999
   71   HG23  ILE   8          HG23      ILE   8 107.338 107.762  60.292
   72   HD11  ILE   8          HD11      ILE   8 103.680 105.619  60.067
   73   HD12  ILE   8          HD12      ILE   8 103.874 106.620  58.616
   74   HD13  ILE   8          HD13      ILE   8 105.279 105.795  59.339
   75    H    ARG   9           H        ARG   9 104.792 111.918  59.193
   76    HA   ARG   9           HA       ARG   9 103.036 113.278  58.920
   77    HB2  ARG   9           HB2      ARG   9 101.212 111.353  60.370
   78    HB3  ARG   9           HB3      ARG   9 100.813 112.532  59.138
   79    HG2  ARG   9           HG2      ARG   9 102.213 109.856  58.822
   80    HG3  ARG   9           HG3      ARG   9 100.701 110.384  58.115
   81    HD2  ARG   9           HD2      ARG   9 103.494 111.241  57.329
   82    HD3  ARG   9           HD3      ARG   9 102.355 110.286  56.390
   83    HE   ARG   9           HE       ARG   9 100.871 112.416  56.542
   84   HH11  ARG   9          HH11      ARG   9 104.447 112.682  56.351
   85   HH12  ARG   9          HH12      ARG   9 104.310 114.153  55.418
   86   HH21  ARG   9          HH22      ARG   9 100.902 114.380  55.462
   87   HH22  ARG   9          HH21      ARG   9 102.424 115.009  54.868
   88    HA   PRO  10           HA       PRO  10 103.442 114.743  63.373
   89    HB2  PRO  10           HB2      PRO  10 105.431 116.610  63.160
   90    HB3  PRO  10           HB3      PRO  10 105.775 114.866  63.171
   91    HG2  PRO  10           HG2      PRO  10 105.355 116.598  60.698
   92    HG3  PRO  10           HG3      PRO  10 106.792 115.606  61.100
   93    HD2  PRO  10           HD2      PRO  10 104.847 114.581  59.558
   94    HD3  PRO  10           HD3      PRO  10 105.578 113.593  60.854
   95    H    LYS  11           H        LYS  11 101.421 115.400  61.611
   96    HA   LYS  11           HA       LYS  11 100.438 117.791  62.742
   97    HB2  LYS  11           HB2      LYS  11 100.097 119.128  60.640
   98    HB3  LYS  11           HB3      LYS  11 101.743 119.080  61.237
   99    HG2  LYS  11           HG2      LYS  11 102.406 117.450  59.555
  100    HG3  LYS  11           HG3      LYS  11 100.729 117.261  59.010
  101    HD2  LYS  11           HD2      LYS  11 100.699 119.644  58.290
  102    HD3  LYS  11           HD3      LYS  11 102.335 119.853  58.926
  103    HE2  LYS  11           HE2      LYS  11 102.510 119.566  56.557
  104    HE3  LYS  11           HE3      LYS  11 103.174 118.130  57.339
  105    HZ1  LYS  11           HZ1      LYS  11 101.073 116.987  56.834
  106    HZ2  LYS  11           HZ2      LYS  11 100.460 118.349  56.166
  107    HZ3  LYS  11           HZ3      LYS  11 101.720 117.603  55.448
  108    H    LEU  12           H        LEU  12  99.818 115.026  62.406
  109    HA   LEU  12           HA       LEU  12  97.009 115.155  61.791
  110    HB2  LEU  12           HB2      LEU  12  98.503 114.717  59.543
  111    HB3  LEU  12           HB3      LEU  12  98.387 113.074  60.102
  112    HG   LEU  12           HG       LEU  12  96.687 113.532  58.464
  113   HD11  LEU  12          HD11      LEU  12  95.269 113.429  61.156
  114   HD12  LEU  12          HD12      LEU  12  94.602 112.956  59.583
  115   HD13  LEU  12          HD13      LEU  12  95.941 112.033  60.277
  116   HD21  LEU  12          HD21      LEU  12  96.571 115.993  58.743
  117   HD22  LEU  12          HD22      LEU  12  94.973 115.239  58.659
  118   HD23  LEU  12          HD23      LEU  12  95.612 115.779  60.222
  119    H    LYS  13           H        LYS  13  98.545 114.676  64.083
  120    HA   LYS  13           HA       LYS  13  97.305 112.210  65.019
  121    HB2  LYS  13           HB2      LYS  13 100.092 112.147  64.229
  122    HB3  LYS  13           HB3      LYS  13 100.012 112.025  65.993
  123    HG2  LYS  13           HG2      LYS  13  98.421 110.169  65.842
  124    HG3  LYS  13           HG3      LYS  13  98.359 110.362  64.082
  125    HD2  LYS  13           HD2      LYS  13 100.824 109.809  63.999
  126    HD3  LYS  13           HD3      LYS  13 100.758 109.494  65.736
  127    HE2  LYS  13           HE2      LYS  13 100.570 107.385  64.485
  128    HE3  LYS  13           HE3      LYS  13  99.098 107.716  65.402
  129    HZ1  LYS  13           HZ1      LYS  13  98.084 108.536  63.320
  130    HZ2  LYS  13           HZ2      LYS  13  99.444 108.157  62.487
  131    HZ3  LYS  13           HZ3      LYS  13  98.539 106.980  63.202
  Start of MODEL    3
    1    H1   TYR   1           H1       TYR   1  96.342 109.935  66.322
    2    H2   TYR   1           H2       TYR   1  94.771 109.517  66.629
    3    H3   TYR   1           H3       TYR   1  95.849 108.383  66.125
    4    HA   TYR   1           HA       TYR   1  95.940 109.818  68.676
    5    HB2  TYR   1           HB2      TYR   1  94.141 108.145  68.548
    6    HB3  TYR   1           HB3      TYR   1  95.306 106.906  68.090
    7    HD1  TYR   1           HD1      TYR   1  94.309 109.237  70.838
    8    HD2  TYR   1           HD2      TYR   1  96.565 105.725  69.738
    9    HE1  TYR   1           HE1      TYR   1  94.815 108.802  73.237
   10    HE2  TYR   1           HE2      TYR   1  97.074 105.301  72.128
   11    HH   TYR   1           HH       TYR   1  96.945 106.115  74.272
   12    H    GLY   2           H        GLY   2  98.038 110.525  68.161
   13    HA2  GLY   2           HA2      GLY   2 100.220 108.552  68.492
   14    HA3  GLY   2           HA3      GLY   2 100.071 109.362  66.939
   15    H    GLY   3           H        GLY   3 100.028 110.322  70.412
   16    HA2  GLY   3           HA2      GLY   3 100.848 112.983  70.024
   17    HA3  GLY   3           HA3      GLY   3 101.048 112.063  71.528
   18    H    PHE   4           H        PHE   4 102.923 110.115  70.343
   19    HA   PHE   4           HA       PHE   4 105.222 111.829  69.474
   20    HB2  PHE   4           HB2      PHE   4 105.458 110.966  71.815
   21    HB3  PHE   4           HB3      PHE   4 105.412 109.325  71.179
   22    HD1  PHE   4           HD1      PHE   4 107.211 112.563  70.379
   23    HD2  PHE   4           HD2      PHE   4 107.540 108.319  71.073
   24    HE1  PHE   4           HE1      PHE   4 109.658 112.688  70.007
   25    HE2  PHE   4           HE2      PHE   4 109.986 108.451  70.698
   26    HZ   PHE   4           HZ       PHE   4 111.051 110.629  70.157
   27    H    LEU   5           H        LEU   5 103.240 109.044  68.791
   28    HA   LEU   5           HA       LEU   5 104.855 107.985  66.622
   29    HB2  LEU   5           HB2      LEU   5 101.889 107.903  67.230
   30    HB3  LEU   5           HB3      LEU   5 102.624 107.017  65.914
   31    HG   LEU   5           HG       LEU   5 103.683 106.666  68.741
   32   HD11  LEU   5          HD11      LEU   5 101.457 104.932  67.657
   33   HD12  LEU   5          HD12      LEU   5 102.167 104.948  69.270
   34   HD13  LEU   5          HD13      LEU   5 101.167 106.298  68.726
   35   HD21  LEU   5          HD21      LEU   5 105.027 105.746  66.930
   36   HD22  LEU   5          HD22      LEU   5 104.298 104.429  67.857
   37   HD23  LEU   5          HD23      LEU   5 103.624 104.884  66.277
   38    H    ARG   6           H        ARG   6 103.414 110.984  66.980
   39    HA   ARG   6           HA       ARG   6 103.040 112.149  64.535
   40    HB2  ARG   6           HB2      ARG   6 103.198 113.199  66.842
   41    HB3  ARG   6           HB3      ARG   6 104.939 113.004  66.764
   42    HG2  ARG   6           HG2      ARG   6 104.610 115.240  66.309
   43    HG3  ARG   6           HG3      ARG   6 104.896 114.573  64.716
   44    HD2  ARG   6           HD2      ARG   6 102.199 115.292  65.943
   45    HD3  ARG   6           HD3      ARG   6 103.065 116.261  64.763
   46    HE   ARG   6           HE       ARG   6 101.460 113.876  64.291
   47   HH11  ARG   6          HH12      ARG   6 103.974 115.945  62.821
   48   HH12  ARG   6          HH11      ARG   6 103.740 115.176  61.260
   49   HH21  ARG   6          HH21      ARG   6 101.309 112.974  62.217
   50   HH22  ARG   6          HH22      ARG   6 102.365 113.585  60.947
   51    H    ARG   7           H        ARG   7 105.952 110.580  65.589
   52    HA   ARG   7           HA       ARG   7 107.939 111.338  63.811
   53    HB2  ARG   7           HB2      ARG   7 108.016 110.002  65.924
   54    HB3  ARG   7           HB3      ARG   7 107.310 108.641  65.074
   55    HG2  ARG   7           HG2      ARG   7 109.641 108.320  65.519
   56    HG3  ARG   7           HG3      ARG   7 109.402 108.345  63.793
   57    HD2  ARG   7           HD2      ARG   7 110.404 110.700  65.448
   58    HD3  ARG   7           HD3      ARG   7 111.457 109.539  64.657
   59    HE   ARG   7           HE       ARG   7 110.053 111.754  63.414
   60   HH11  ARG   7          HH11      ARG   7 111.509 108.586  62.675
   61   HH12  ARG   7          HH12      ARG   7 111.691 109.025  60.990
   62   HH21  ARG   7          HH21      ARG   7 110.296 112.166  61.301
   63   HH22  ARG   7          HH22      ARG   7 111.161 111.071  60.242
   64    H    ILE   8           H        ILE   8 105.478 111.064  62.171
   65    HA   ILE   8           HA       ILE   8 104.645 110.235  60.235
   66    HB   ILE   8           HB       ILE   8 107.331 109.141  59.392
   67   HG12  ILE   8          HG12      ILE   8 106.685 112.121  59.407
   68   HG13  ILE   8          HG13      ILE   8 107.872 111.344  60.459
   69   HG21  ILE   8          HG21      ILE   8 105.235 109.066  57.900
   70   HG22  ILE   8          HG22      ILE   8 105.261 110.830  57.897
   71   HG23  ILE   8          HG23      ILE   8 106.603 109.901  57.194
   72   HD11  ILE   8          HD11      ILE   8 108.063 111.590  57.446
   73   HD12  ILE   8          HD12      ILE   8 109.057 112.374  58.678
   74   HD13  ILE   8          HD13      ILE   8 109.163 110.616  58.454
   75    H    ARG   9           H        ARG   9 104.537 108.490  62.552
   76    HA   ARG   9           HA       ARG   9 104.399 105.800  61.226
   77    HB2  ARG   9           HB2      ARG   9 104.879 106.408  64.175
   78    HB3  ARG   9           HB3      ARG   9 104.737 104.819  63.438
   79    HG2  ARG   9           HG2      ARG   9 107.029 106.772  63.250
   80    HG3  ARG   9           HG3      ARG   9 107.014 105.093  63.789
   81    HD2  ARG   9           HD2      ARG   9 106.421 104.440  61.414
   82    HD3  ARG   9           HD3      ARG   9 106.787 106.093  60.934
   83    HE   ARG   9           HE       ARG   9 108.652 103.990  61.675
   84   HH11  ARG   9          HH11      ARG   9 108.533 107.523  61.231
   85   HH12  ARG   9          HH12      ARG   9 110.035 107.498  60.338
   86   HH21  ARG   9          HH22      ARG   9 110.550 104.085  60.685
   87   HH22  ARG   9          HH21      ARG   9 111.272 105.603  60.223
   88    HA   PRO  10           HA       PRO  10 100.187 107.258  62.709
   89    HB2  PRO  10           HB2      PRO  10  98.819 107.757  60.423
   90    HB3  PRO  10           HB3      PRO  10 100.096 108.853  61.003
   91    HG2  PRO  10           HG2      PRO  10 100.403 106.592  58.987
   92    HG3  PRO  10           HG3      PRO  10 100.816 108.325  58.759
   93    HD2  PRO  10           HD2      PRO  10 102.684 106.519  59.553
   94    HD3  PRO  10           HD3      PRO  10 102.622 108.183  60.217
   95    H    LYS  11           H        LYS  11 100.934 104.650  62.953
   96    HA   LYS  11           HA       LYS  11  99.047 102.840  61.593
   97    HB2  LYS  11           HB2      LYS  11 101.147 102.452  63.751
   98    HB3  LYS  11           HB3      LYS  11 100.144 101.157  63.089
   99    HG2  LYS  11           HG2      LYS  11 101.062 101.577  60.830
  100    HG3  LYS  11           HG3      LYS  11 102.105 102.855  61.493
  101    HD2  LYS  11           HD2      LYS  11 103.239 101.220  62.941
  102    HD3  LYS  11           HD3      LYS  11 102.136  99.953  62.408
  103    HE2  LYS  11           HE2      LYS  11 104.168  99.606  61.238
  104    HE3  LYS  11           HE3      LYS  11 102.990 100.206  60.071
  105    HZ1  LYS  11           HZ1      LYS  11 104.032 102.405  60.258
  106    HZ2  LYS  11           HZ2      LYS  11 105.097 101.847  61.377
  107    HZ3  LYS  11           HZ3      LYS  11 105.142 101.296  59.829
  108    H    LEU  12           H        LEU  12  98.781 104.923  64.214
  109    HA   LEU  12           HA       LEU  12  96.212 103.634  65.050
  110    HB2  LEU  12           HB2      LEU  12  98.292 105.043  66.777
  111    HB3  LEU  12           HB3      LEU  12  96.633 104.794  67.300
  112    HG   LEU  12           HG       LEU  12  98.514 102.517  66.550
  113   HD11  LEU  12          HD11      LEU  12  99.335 103.759  68.525
  114   HD12  LEU  12          HD12      LEU  12  97.742 103.598  69.298
  115   HD13  LEU  12          HD13      LEU  12  98.731 102.157  68.975
  116   HD21  LEU  12          HD21      LEU  12  95.763 102.609  67.892
  117   HD22  LEU  12          HD22      LEU  12  96.166 101.853  66.334
  118   HD23  LEU  12          HD23      LEU  12  96.795 101.171  67.837
  119    H    LYS  13           H        LYS  13  96.120 105.059  62.907
  120    HA   LYS  13           HA       LYS  13  95.419 107.868  63.554
  121    HB2  LYS  13           HB2      LYS  13  97.031 107.216  61.684
  122    HB3  LYS  13           HB3      LYS  13  95.655 106.527  60.828
  123    HG2  LYS  13           HG2      LYS  13  96.090 108.717  59.956
  124    HG3  LYS  13           HG3      LYS  13  94.577 108.819  60.868
  125    HD2  LYS  13           HD2      LYS  13  95.743 109.863  62.765
  126    HD3  LYS  13           HD3      LYS  13  97.316 109.573  61.992
  127    HE2  LYS  13           HE2      LYS  13  96.629 111.055  60.108
  128    HE3  LYS  13           HE3      LYS  13  95.101 111.385  60.945
  129    HZ1  LYS  13           HZ1      LYS  13  96.765 113.096  61.376
  130    HZ2  LYS  13           HZ2      LYS  13  96.361 112.333  62.771
  131    HZ3  LYS  13           HZ3      LYS  13  97.792 111.982  62.058
  Start of MODEL    4
    1    H1   TYR   1           H1       TYR   1  98.312 107.187  73.665
    2    H2   TYR   1           H2       TYR   1  98.248 108.747  73.119
    3    H3   TYR   1           H3       TYR   1  99.326 107.691  72.479
    4    HA   TYR   1           HA       TYR   1  97.621 106.379  71.484
    5    HB2  TYR   1           HB2      TYR   1  95.226 107.486  71.635
    6    HB3  TYR   1           HB3      TYR   1  95.796 106.338  72.827
    7    HD1  TYR   1           HD1      TYR   1  96.291 106.966  75.124
    8    HD2  TYR   1           HD2      TYR   1  95.075 109.934  72.234
    9    HE1  TYR   1           HE1      TYR   1  96.136 108.669  76.923
   10    HE2  TYR   1           HE2      TYR   1  94.974 111.634  74.039
   11    HH   TYR   1           HH       TYR   1  95.669 110.833  77.451
   12    H    GLY   2           H        GLY   2  98.975 107.157  69.821
   13    HA2  GLY   2           HA2      GLY   2  99.346 108.361  67.863
   14    HA3  GLY   2           HA3      GLY   2  97.914 109.356  68.212
   15    H    GLY   3           H        GLY   3 100.557 109.059  70.542
   16    HA2  GLY   3           HA2      GLY   3 101.046 111.966  70.479
   17    HA3  GLY   3           HA3      GLY   3 101.731 110.769  71.602
   18    H    PHE   4           H        PHE   4 103.754 109.976  71.213
   19    HA   PHE   4           HA       PHE   4 105.451 111.335  69.465
   20    HB2  PHE   4           HB2      PHE   4 106.202 110.246  71.508
   21    HB3  PHE   4           HB3      PHE   4 105.893 108.656  70.809
   22    HD1  PHE   4           HD1      PHE   4 107.640 111.826  69.703
   23    HD2  PHE   4           HD2      PHE   4 107.840 107.544  70.113
   24    HE1  PHE   4           HE1      PHE   4 109.815 111.820  68.528
   25    HE2  PHE   4           HE2      PHE   4 110.031 107.555  68.939
   26    HZ   PHE   4           HZ       PHE   4 111.000 109.647  68.131
   27    H    LEU   5           H        LEU   5 103.433 108.660  68.602
   28    HA   LEU   5           HA       LEU   5 104.653 107.774  66.186
   29    HB2  LEU   5           HB2      LEU   5 101.715 108.196  66.877
   30    HB3  LEU   5           HB3      LEU   5 102.306 107.279  65.497
   31    HG   LEU   5           HG       LEU   5 102.828 106.555  68.405
   32   HD11  LEU   5          HD11      LEU   5 100.447 106.302  67.730
   33   HD12  LEU   5          HD12      LEU   5 100.958 105.243  66.396
   34   HD13  LEU   5          HD13      LEU   5 101.231 104.751  68.075
   35   HD21  LEU   5          HD21      LEU   5 104.620 105.699  66.914
   36   HD22  LEU   5          HD22      LEU   5 103.606 104.380  67.498
   37   HD23  LEU   5          HD23      LEU   5 103.399 104.985  65.842
   38    H    ARG   6           H        ARG   6 103.540 110.981  66.897
   39    HA   ARG   6           HA       ARG   6 103.246 112.136  64.354
   40    HB2  ARG   6           HB2      ARG   6 104.090 114.149  65.319
   41    HB3  ARG   6           HB3      ARG   6 103.072 113.344  66.513
   42    HG2  ARG   6           HG2      ARG   6 105.069 112.548  67.703
   43    HG3  ARG   6           HG3      ARG   6 106.137 113.236  66.477
   44    HD2  ARG   6           HD2      ARG   6 105.455 115.499  67.049
   45    HD3  ARG   6           HD3      ARG   6 104.223 114.883  68.152
   46    HE   ARG   6           HE       ARG   6 105.805 114.362  69.745
   47   HH11  ARG   6          HH22      ARG   6 107.592 115.329  66.817
   48   HH12  ARG   6          HH21      ARG   6 109.120 115.256  67.642
   49   HH21  ARG   6          HH11      ARG   6 107.806 114.287  70.715
   50   HH22  ARG   6          HH12      ARG   6 109.244 114.658  69.804
   51    H    ARG   7           H        ARG   7 106.070 110.478  65.543
   52    HA   ARG   7           HA       ARG   7 108.079 111.580  63.905
   53    HB2  ARG   7           HB2      ARG   7 108.453 109.966  65.729
   54    HB3  ARG   7           HB3      ARG   7 107.618 108.709  64.816
   55    HG2  ARG   7           HG2      ARG   7 110.084 108.488  64.722
   56    HG3  ARG   7           HG3      ARG   7 109.347 108.672  63.137
   57    HD2  ARG   7           HD2      ARG   7 111.409 109.991  63.248
   58    HD3  ARG   7           HD3      ARG   7 110.030 111.036  63.033
   59    HE   ARG   7           HE       ARG   7 110.398 112.004  65.075
   60   HH11  ARG   7          HH11      ARG   7 112.403 109.074  64.905
   61   HH12  ARG   7          HH12      ARG   7 113.302 109.523  66.334
   62   HH21  ARG   7          HH21      ARG   7 111.634 112.490  66.894
   63   HH22  ARG   7          HH22      ARG   7 112.809 111.362  67.499
   64    H    ILE   8           H        ILE   8 105.411 109.466  63.045
   65    HA   ILE   8           HA       ILE   8 105.271 110.552  60.474
   66    HB   ILE   8           HB       ILE   8 105.255 108.185  59.297
   67   HG12  ILE   8          HG12      ILE   8 107.705 107.774  61.039
   68   HG13  ILE   8          HG13      ILE   8 106.152 107.003  61.365
   69   HG21  ILE   8          HG21      ILE   8 106.482 110.333  58.665
   70   HG22  ILE   8          HG22      ILE   8 107.921 109.553  59.353
   71   HG23  ILE   8          HG23      ILE   8 107.045 108.795  58.020
   72   HD11  ILE   8          HD11      ILE   8 106.186 105.928  59.140
   73   HD12  ILE   8          HD12      ILE   8 107.770 106.666  58.814
   74   HD13  ILE   8          HD13      ILE   8 107.593 105.491  60.127
   75    H    ARG   9           H        ARG   9 103.170 110.883  60.609
   76    HA   ARG   9           HA       ARG   9 100.944 110.532  60.504
   77    HB2  ARG   9           HB2      ARG   9 101.893 107.866  59.469
   78    HB3  ARG   9           HB3      ARG   9 100.196 108.262  59.648
   79    HG2  ARG   9           HG2      ARG   9 100.905 108.628  57.389
   80    HG3  ARG   9           HG3      ARG   9 100.358 110.128  58.138
   81    HD2  ARG   9           HD2      ARG   9 102.625 110.936  58.351
   82    HD3  ARG   9           HD3      ARG   9 103.297 109.376  57.862
   83    HE   ARG   9           HE       ARG   9 101.906 111.376  56.160
   84   HH11  ARG   9          HH22      ARG   9 103.478 108.181  56.222
   85   HH12  ARG   9          HH21      ARG   9 103.678 108.173  54.491
   86   HH21  ARG   9          HH11      ARG   9 102.329 111.340  54.007
   87   HH22  ARG   9          HH12      ARG   9 103.147 109.974  53.277
   88    HA   PRO  10           HA       PRO  10 100.825 108.753  64.720
   89    HB2  PRO  10           HB2      PRO  10  99.277 110.745  65.897
   90    HB3  PRO  10           HB3      PRO  10 101.052 110.769  65.743
   91    HG2  PRO  10           HG2      PRO  10  98.973 112.073  64.007
   92    HG3  PRO  10           HG3      PRO  10 100.529 112.754  64.573
   93    HD2  PRO  10           HD2      PRO  10 100.205 111.747  62.069
   94    HD3  PRO  10           HD3      PRO  10 101.743 111.568  62.958
   95    H    LYS  11           H        LYS  11  98.370 108.925  62.398
   96    HA   LYS  11           HA       LYS  11  96.941 106.895  64.008
   97    HB2  LYS  11           HB2      LYS  11  94.758 107.606  63.310
   98    HB3  LYS  11           HB3      LYS  11  95.562 108.915  64.168
   99    HG2  LYS  11           HG2      LYS  11  96.146 109.972  61.991
  100    HG3  LYS  11           HG3      LYS  11  95.276 108.686  61.145
  101    HD2  LYS  11           HD2      LYS  11  93.243 109.398  62.576
  102    HD3  LYS  11           HD3      LYS  11  94.200 110.845  62.936
  103    HE2  LYS  11           HE2      LYS  11  93.211 109.864  60.251
  104    HE3  LYS  11           HE3      LYS  11  92.704 111.312  61.105
  105    HZ1  LYS  11           HZ1      LYS  11  95.268 110.813  59.726
  106    HZ2  LYS  11           HZ2      LYS  11  94.191 112.037  59.458
  107    HZ3  LYS  11           HZ3      LYS  11  95.121 112.044  60.798
  108    H    LEU  12           H        LEU  12  98.995 106.617  62.161
  109    HA   LEU  12           HA       LEU  12  99.738 105.208  60.575
  110    HB2  LEU  12           HB2      LEU  12  96.868 104.345  60.040
  111    HB3  LEU  12           HB3      LEU  12  98.319 103.545  59.488
  112    HG   LEU  12           HG       LEU  12  97.549 103.839  62.426
  113   HD11  LEU  12          HD11      LEU  12  95.976 102.397  61.194
  114   HD12  LEU  12          HD12      LEU  12  97.334 101.441  60.556
  115   HD13  LEU  12          HD13      LEU  12  96.983 101.450  62.300
  116   HD21  LEU  12          HD21      LEU  12  99.310 102.097  62.765
  117   HD22  LEU  12          HD22      LEU  12  99.756 102.238  61.053
  118   HD23  LEU  12          HD23      LEU  12  99.977 103.616  62.158
  119    H    LYS  13           H        LYS  13  97.108 107.317  59.604
  120    HA   LYS  13           HA       LYS  13  98.623 108.171  57.212
  121    HB2  LYS  13           HB2      LYS  13  97.148 106.348  56.435
  122    HB3  LYS  13           HB3      LYS  13  95.737 107.188  57.091
  123    HG2  LYS  13           HG2      LYS  13  96.111 109.067  55.537
  124    HG3  LYS  13           HG3      LYS  13  97.594 108.306  54.952
  125    HD2  LYS  13           HD2      LYS  13  96.313 106.378  54.116
  126    HD3  LYS  13           HD3      LYS  13  94.800 107.106  54.680
  127    HE2  LYS  13           HE2      LYS  13  96.702 108.435  52.695
  128    HE3  LYS  13           HE3      LYS  13  95.360 107.398  52.198
  129    HZ1  LYS  13           HZ1      LYS  13  94.751 109.738  52.163
  130    HZ2  LYS  13           HZ2      LYS  13  93.816 108.948  53.235
  131    HZ3  LYS  13           HZ3      LYS  13  95.030 109.907  53.765
  Start of MODEL    5
    1    H1   TYR   1           H1       TYR   1 100.997 106.201  74.731
    2    H2   TYR   1           H2       TYR   1 102.083 107.001  73.792
    3    H3   TYR   1           H3       TYR   1 101.630 105.466  73.406
    4    HA   TYR   1           HA       TYR   1 100.577 107.015  71.944
    5    HB2  TYR   1           HB2      TYR   1  99.505 104.838  72.858
    6    HB3  TYR   1           HB3      TYR   1  98.461 105.873  73.800
    7    HD1  TYR   1           HD1      TYR   1  96.861 107.461  72.570
    8    HD2  TYR   1           HD2      TYR   1  99.249 104.499  70.529
    9    HE1  TYR   1           HE1      TYR   1  95.431 107.686  70.565
   10    HE2  TYR   1           HE2      TYR   1  97.821 104.739  68.516
   11    HH   TYR   1           HH       TYR   1  95.075 107.045  68.411
   12    H    GLY   2           H        GLY   2 101.401 109.098  72.675
   13    HA2  GLY   2           HA2      GLY   2  99.398 110.847  73.976
   14    HA3  GLY   2           HA3      GLY   2 100.932 110.600  74.792
   15    H    GLY   3           H        GLY   3 101.103 110.679  71.309
   16    HA2  GLY   3           HA2      GLY   3 101.131 112.706  70.002
   17    HA3  GLY   3           HA3      GLY   3 101.863 113.585  71.337
   18    H    PHE   4           H        PHE   4 103.670 110.768  71.245
   19    HA   PHE   4           HA       PHE   4 105.651 112.008  69.389
   20    HB2  PHE   4           HB2      PHE   4 106.349 111.616  71.721
   21    HB3  PHE   4           HB3      PHE   4 106.042 109.898  71.527
   22    HD1  PHE   4           HD1      PHE   4 107.907 112.579  69.609
   23    HD2  PHE   4           HD2      PHE   4 107.967 108.605  71.288
   24    HE1  PHE   4           HE1      PHE   4 110.211 112.250  68.757
   25    HE2  PHE   4           HE2      PHE   4 110.278 108.291  70.452
   26    HZ   PHE   4           HZ       PHE   4 111.403 110.112  69.174
   27    H    LEU   5           H        LEU   5 103.279 109.636  69.234
   28    HA   LEU   5           HA       LEU   5 104.591 107.889  67.286
   29    HB2  LEU   5           HB2      LEU   5 101.689 108.427  68.014
   30    HB3  LEU   5           HB3      LEU   5 102.167 107.287  66.768
   31    HG   LEU   5           HG       LEU   5 103.102 107.071  69.654
   32   HD11  LEU   5          HD11      LEU   5 100.796 105.628  68.289
   33   HD12  LEU   5          HD12      LEU   5 101.408 105.332  69.933
   34   HD13  LEU   5          HD13      LEU   5 100.649 106.885  69.538
   35   HD21  LEU   5          HD21      LEU   5 103.099 105.049  67.361
   36   HD22  LEU   5          HD22      LEU   5 104.533 105.860  68.023
   37   HD23  LEU   5          HD23      LEU   5 103.618 104.736  69.030
   38    H    ARG   6           H        ARG   6 103.586 111.122  67.172
   39    HA   ARG   6           HA       ARG   6 103.020 111.554  64.473
   40    HB2  ARG   6           HB2      ARG   6 103.993 113.106  66.812
   41    HB3  ARG   6           HB3      ARG   6 104.419 113.833  65.291
   42    HG2  ARG   6           HG2      ARG   6 101.575 112.882  65.471
   43    HG3  ARG   6           HG3      ARG   6 102.026 114.192  66.555
   44    HD2  ARG   6           HD2      ARG   6 101.124 115.031  64.415
   45    HD3  ARG   6           HD3      ARG   6 102.770 115.584  64.761
   46    HE   ARG   6           HE       ARG   6 102.576 113.190  63.048
   47   HH11  ARG   6          HH21      ARG   6 102.648 116.717  62.925
   48   HH12  ARG   6          HH22      ARG   6 103.472 116.729  61.385
   49   HH21  ARG   6          HH11      ARG   6 103.570 113.260  61.130
   50   HH22  ARG   6          HH12      ARG   6 104.091 114.786  60.421
   51    H    ARG   7           H        ARG   7 105.718 109.899  65.179
   52    HA   ARG   7           HA       ARG   7 107.705 111.354  63.653
   53    HB2  ARG   7           HB2      ARG   7 109.167 109.483  64.109
   54    HB3  ARG   7           HB3      ARG   7 108.385 110.095  65.558
   55    HG2  ARG   7           HG2      ARG   7 106.837 108.162  65.567
   56    HG3  ARG   7           HG3      ARG   7 107.563 107.562  64.063
   57    HD2  ARG   7           HD2      ARG   7 109.790 107.439  65.233
   58    HD3  ARG   7           HD3      ARG   7 109.010 107.974  66.712
   59    HE   ARG   7           HE       ARG   7 107.975 105.911  66.974
   60   HH11  ARG   7          HH12      ARG   7 109.841 105.809  63.946
   61   HH12  ARG   7          HH11      ARG   7 109.640 104.082  63.802
   62   HH21  ARG   7          HH22      ARG   7 107.804 103.765  66.749
   63   HH22  ARG   7          HH21      ARG   7 108.473 102.933  65.352
   64    H    ILE   8           H        ILE   8 105.546 111.070  61.976
   65    HA   ILE   8           HA       ILE   8 104.789 110.363  59.962
   66    HB   ILE   8           HB       ILE   8 106.356 110.459  58.120
   67   HG12  ILE   8          HG12      ILE   8 108.512 111.167  60.142
   68   HG13  ILE   8          HG13      ILE   8 108.405 109.585  59.364
   69   HG21  ILE   8          HG21      ILE   8 105.161 112.401  59.092
   70   HG22  ILE   8          HG22      ILE   8 106.550 112.721  60.154
   71   HG23  ILE   8          HG23      ILE   8 106.709 112.861  58.392
   72   HD11  ILE   8          HD11      ILE   8 108.609 110.666  57.133
   73   HD12  ILE   8          HD12      ILE   8 108.848 112.235  57.944
   74   HD13  ILE   8          HD13      ILE   8 110.015 110.927  58.183
   75    H    ARG   9           H        ARG   9 103.954 108.516  60.919
   76    HA   ARG   9           HA       ARG   9 102.970 106.576  60.414
   77    HB2  ARG   9           HB2      ARG   9 104.817 106.511  58.012
   78    HB3  ARG   9           HB3      ARG   9 103.628 105.288  58.347
   79    HG2  ARG   9           HG2      ARG   9 102.978 107.002  56.665
   80    HG3  ARG   9           HG3      ARG   9 101.809 106.607  57.913
   81    HD2  ARG   9           HD2      ARG   9 102.219 108.702  59.076
   82    HD3  ARG   9           HD3      ARG   9 103.606 109.049  58.028
   83    HE   ARG   9           HE       ARG   9 102.227 109.936  56.479
   84   HH11  ARG   9          HH21      ARG   9 100.075 107.870  58.421
   85   HH12  ARG   9          HH22      ARG   9  98.663 108.534  57.640
   86   HH21  ARG   9          HH11      ARG   9 100.454 110.694  55.573
   87   HH22  ARG   9          HH12      ARG   9  98.868 110.171  56.074
   88    HA   PRO  10           HA       PRO  10 106.284 104.048  62.464
   89    HB2  PRO  10           HB2      PRO  10 105.536 104.094  65.050
   90    HB3  PRO  10           HB3      PRO  10 106.268 105.539  64.289
   91    HG2  PRO  10           HG2      PRO  10 103.311 104.931  64.606
   92    HG3  PRO  10           HG3      PRO  10 104.195 106.378  65.183
   93    HD2  PRO  10           HD2      PRO  10 102.913 106.331  62.763
   94    HD3  PRO  10           HD3      PRO  10 104.461 107.204  62.978
   95    H    LYS  11           H        LYS  11 103.103 103.554  61.567
   96    HA   LYS  11           HA       LYS  11 103.109 100.766  62.632
   97    HB2  LYS  11           HB2      LYS  11 101.356 102.440  63.565
   98    HB3  LYS  11           HB3      LYS  11 100.629 102.355  61.966
   99    HG2  LYS  11           HG2      LYS  11  99.420 100.853  63.315
  100    HG3  LYS  11           HG3      LYS  11 100.430  99.823  62.315
  101    HD2  LYS  11           HD2      LYS  11 102.041  99.599  64.238
  102    HD3  LYS  11           HD3      LYS  11 100.932 100.591  65.214
  103    HE2  LYS  11           HE2      LYS  11  99.129  98.922  64.844
  104    HE3  LYS  11           HE3      LYS  11 100.242  97.936  63.893
  105    HZ1  LYS  11           HZ1      LYS  11 100.193  97.073  66.082
  106    HZ2  LYS  11           HZ2      LYS  11 101.648  97.773  65.902
  107    HZ3  LYS  11           HZ3      LYS  11 100.491  98.536  66.787
  108    H    LEU  12           H        LEU  12 104.322 101.861  60.105
  109    HA   LEU  12           HA       LEU  12 102.407 101.333  57.994
  110    HB2  LEU  12           HB2      LEU  12 104.212 103.141  58.116
  111    HB3  LEU  12           HB3      LEU  12 105.383 101.892  57.726
  112    HG   LEU  12           HG       LEU  12 104.310 101.534  55.538
  113   HD11  LEU  12          HD11      LEU  12 102.532 103.130  54.752
  114   HD12  LEU  12          HD12      LEU  12 101.954 102.019  55.991
  115   HD13  LEU  12          HD13      LEU  12 102.345 103.700  56.424
  116   HD21  LEU  12          HD21      LEU  12 104.898 103.687  54.526
  117   HD22  LEU  12          HD22      LEU  12 104.802 104.487  56.109
  118   HD23  LEU  12          HD23      LEU  12 106.058 103.274  55.798
  119    H    LYS  13           H        LYS  13 104.465  99.195  59.662
  120    HA   LYS  13           HA       LYS  13 103.934  97.095  57.659
  121    HB2  LYS  13           HB2      LYS  13 106.352  96.256  57.901
  122    HB3  LYS  13           HB3      LYS  13 105.944  97.525  56.771
  123    HG2  LYS  13           HG2      LYS  13 108.035  98.058  57.682
  124    HG3  LYS  13           HG3      LYS  13 106.877  99.241  58.274
  125    HD2  LYS  13           HD2      LYS  13 106.820  98.129  60.453
  126    HD3  LYS  13           HD3      LYS  13 107.891  96.837  59.857
  127    HE2  LYS  13           HE2      LYS  13 109.707  98.444  59.546
  128    HE3  LYS  13           HE3      LYS  13 108.622  99.793  59.928
  129    HZ1  LYS  13           HZ1      LYS  13 109.398  97.649  61.830
  130    HZ2  LYS  13           HZ2      LYS  13 109.909  99.220  61.890
  131    HZ3  LYS  13           HZ3      LYS  13 108.350  98.889  62.145
  Start of MODEL    6
    1    H1   TYR   1           H1       TYR   1 102.666 109.937  76.171
    2    H2   TYR   1           H2       TYR   1 101.798 111.135  75.433
    3    H3   TYR   1           H3       TYR   1 102.664 110.071  74.542
    4    HA   TYR   1           HA       TYR   1 101.281 108.257  75.163
    5    HB2  TYR   1           HB2      TYR   1  99.106 108.966  76.435
    6    HB3  TYR   1           HB3      TYR   1 100.590 108.593  77.290
    7    HD1  TYR   1           HD2      TYR   1 101.937 110.250  78.431
    8    HD2  TYR   1           HD1      TYR   1  98.291 111.349  76.382
    9    HE1  TYR   1           HE2      TYR   1 102.023 112.501  79.476
   10    HE2  TYR   1           HE1      TYR   1  98.365 113.579  77.468
   11    HH   TYR   1           HH       TYR   1 101.127 114.570  79.520
   12    H    GLY   2           H        GLY   2 101.310 108.476  72.897
   13    HA2  GLY   2           HA2      GLY   2 100.065 108.537  70.926
   14    HA3  GLY   2           HA3      GLY   2  98.787 109.458  71.751
   15    H    GLY   3           H        GLY   3 102.216 110.410  71.667
   16    HA2  GLY   3           HA2      GLY   3 101.514 112.785  69.937
   17    HA3  GLY   3           HA3      GLY   3 102.490 112.873  71.405
   18    H    PHE   4           H        PHE   4 104.289 110.759  71.113
   19    HA   PHE   4           HA       PHE   4 106.083 111.804  69.069
   20    HB2  PHE   4           HB2      PHE   4 106.720 110.993  71.395
   21    HB3  PHE   4           HB3      PHE   4 106.462 109.351  70.818
   22    HD1  PHE   4           HD1      PHE   4 108.361 112.509  70.052
   23    HD2  PHE   4           HD2      PHE   4 108.266 108.211  69.751
   24    HE1  PHE   4           HE1      PHE   4 110.655 112.520  69.104
   25    HE2  PHE   4           HE2      PHE   4 110.552 108.226  68.798
   26    HZ   PHE   4           HZ       PHE   4 111.752 110.380  68.469
   27    H    LEU   5           H        LEU   5 103.628 109.447  69.019
   28    HA   LEU   5           HA       LEU   5 104.558 107.817  66.810
   29    HB2  LEU   5           HB2      LEU   5 101.773 108.523  67.812
   30    HB3  LEU   5           HB3      LEU   5 102.120 107.306  66.589
   31    HG   LEU   5           HG       LEU   5 103.128 107.210  69.470
   32   HD11  LEU   5          HD11      LEU   5 100.705 106.967  69.326
   33   HD12  LEU   5          HD12      LEU   5 100.880 105.708  68.082
   34   HD13  LEU   5          HD13      LEU   5 101.460 105.412  69.733
   35   HD21  LEU   5          HD21      LEU   5 104.639 105.977  67.977
   36   HD22  LEU   5          HD22      LEU   5 103.667 104.830  68.904
   37   HD23  LEU   5          HD23      LEU   5 103.259 105.170  67.207
   38    H    ARG   6           H        ARG   6 103.776 111.142  66.931
   39    HA   ARG   6           HA       ARG   6 103.132 111.498  64.160
   40    HB2  ARG   6           HB2      ARG   6 102.718 113.107  66.015
   41    HB3  ARG   6           HB3      ARG   6 104.448 113.392  66.145
   42    HG2  ARG   6           HG2      ARG   6 103.054 115.137  64.959
   43    HG3  ARG   6           HG3      ARG   6 104.503 114.611  64.108
   44    HD2  ARG   6           HD2      ARG   6 103.239 113.310  62.543
   45    HD3  ARG   6           HD3      ARG   6 101.784 113.391  63.552
   46    HE   ARG   6           HE       ARG   6 102.650 116.024  62.755
   47   HH11  ARG   6          HH12      ARG   6 100.921 113.193  61.523
   48   HH12  ARG   6          HH11      ARG   6  99.894 114.148  60.496
   49   HH21  ARG   6          HH21      ARG   6 101.291 117.195  61.481
   50   HH22  ARG   6          HH22      ARG   6 100.072 116.403  60.495
   51    H    ARG   7           H        ARG   7 105.923 110.121  65.331
   52    HA   ARG   7           HA       ARG   7 108.119 111.255  64.140
   53    HB2  ARG   7           HB2      ARG   7 108.207 109.351  65.563
   54    HB3  ARG   7           HB3      ARG   7 107.347 108.331  64.426
   55    HG2  ARG   7           HG2      ARG   7 109.998 109.597  63.652
   56    HG3  ARG   7           HG3      ARG   7 109.977 108.205  64.728
   57    HD2  ARG   7           HD2      ARG   7 108.790 108.231  61.929
   58    HD3  ARG   7           HD3      ARG   7 110.353 107.545  62.384
   59    HE   ARG   7           HE       ARG   7 108.839 106.158  64.063
   60   HH11  ARG   7          HH22      ARG   7 108.132 106.737  60.633
   61   HH12  ARG   7          HH21      ARG   7 107.005 105.412  60.576
   62   HH21  ARG   7          HH12      ARG   7 107.497 104.552  63.935
   63   HH22  ARG   7          HH11      ARG   7 106.772 104.045  62.416
   64    H    ILE   8           H        ILE   8 105.961 109.015  62.432
   65    HA   ILE   8           HA       ILE   8 104.622 110.496  61.042
   66    HB   ILE   8           HB       ILE   8 105.233 110.786  58.704
   67   HG12  ILE   8          HG12      ILE   8 108.139 111.117  59.234
   68   HG13  ILE   8          HG13      ILE   8 107.562 109.461  59.057
   69   HG21  ILE   8          HG21      ILE   8 106.670 112.632  60.619
   70   HG22  ILE   8          HG22      ILE   8 106.128 112.994  58.976
   71   HG23  ILE   8          HG23      ILE   8 104.942 112.639  60.237
   72   HD11  ILE   8          HD11      ILE   8 107.100 111.716  57.059
   73   HD12  ILE   8          HD12      ILE   8 108.296 110.413  56.910
   74   HD13  ILE   8          HD13      ILE   8 106.563 110.028  56.870
   75    H    ARG   9           H        ARG   9 103.076 109.285  60.565
   76    HA   ARG   9           HA       ARG   9 101.720 107.825  59.548
   77    HB2  ARG   9           HB2      ARG   9 104.038 106.717  57.939
   78    HB3  ARG   9           HB3      ARG   9 102.316 106.582  57.616
   79    HG2  ARG   9           HG2      ARG   9 104.048 109.060  57.324
   80    HG3  ARG   9           HG3      ARG   9 103.325 108.068  56.070
   81    HD2  ARG   9           HD2      ARG   9 101.801 109.749  56.047
   82    HD3  ARG   9           HD3      ARG   9 101.043 108.723  57.249
   83    HE   ARG   9           HE       ARG   9 101.588 110.279  58.938
   84   HH11  ARG   9          HH22      ARG   9 103.153 111.401  55.912
   85   HH12  ARG   9          HH21      ARG   9 103.216 113.038  56.547
   86   HH21  ARG   9          HH11      ARG   9 101.930 112.313  59.634
   87   HH22  ARG   9          HH12      ARG   9 102.543 113.548  58.537
   88    HA   PRO  10           HA       PRO  10 103.432 104.564  62.482
   89    HB2  PRO  10           HB2      PRO  10 101.617 104.744  64.508
   90    HB3  PRO  10           HB3      PRO  10 103.003 105.861  64.356
   91    HG2  PRO  10           HG2      PRO  10 100.137 106.335  63.484
   92    HG3  PRO  10           HG3      PRO  10 101.218 107.423  64.405
   93    HD2  PRO  10           HD2      PRO  10 100.861 107.647  61.704
   94    HD3  PRO  10           HD3      PRO  10 102.416 108.026  62.501
   95    H    LYS  11           H        LYS  11 102.941 102.867  61.147
   96    HA   LYS  11           HA       LYS  11 101.857 101.179  60.101
   97    HB2  LYS  11           HB2      LYS  11  99.615 101.360  62.125
   98    HB3  LYS  11           HB3      LYS  11 100.171  99.959  61.227
   99    HG2  LYS  11           HG2      LYS  11 101.601 101.364  63.509
  100    HG3  LYS  11           HG3      LYS  11 100.890  99.750  63.517
  101    HD2  LYS  11           HD2      LYS  11 102.596  98.913  61.984
  102    HD3  LYS  11           HD3      LYS  11 103.248 100.546  61.750
  103    HE2  LYS  11           HE2      LYS  11 103.629 100.649  64.269
  104    HE3  LYS  11           HE3      LYS  11 103.314  98.902  64.297
  105    HZ1  LYS  11           HZ1      LYS  11 105.115  98.650  62.681
  106    HZ2  LYS  11           HZ2      LYS  11 105.411 100.265  62.699
  107    HZ3  LYS  11           HZ3      LYS  11 105.670  99.354  64.049
  108    H    LEU  12           H        LEU  12 100.981 104.079  59.682
  109    HA   LEU  12           HA       LEU  12  98.573 103.631  57.960
  110    HB2  LEU  12           HB2      LEU  12  99.608 106.077  59.460
  111    HB3  LEU  12           HB3      LEU  12  98.308 106.166  58.279
  112    HG   LEU  12           HG       LEU  12  98.147 104.390  60.748
  113   HD11  LEU  12          HD11      LEU  12  96.720 106.153  61.709
  114   HD12  LEU  12          HD12      LEU  12  98.367 106.739  61.421
  115   HD13  LEU  12          HD13      LEU  12  97.055 107.200  60.311
  116   HD21  LEU  12          HD21      LEU  12  96.617 103.698  58.946
  117   HD22  LEU  12          HD22      LEU  12  95.714 104.442  60.267
  118   HD23  LEU  12          HD23      LEU  12  96.026 105.368  58.784
  119    H    LYS  13           H        LYS  13 101.097 102.834  57.075
  120    HA   LYS  13           HA       LYS  13 101.786 104.798  54.923
  121    HB2  LYS  13           HB2      LYS  13 103.381 104.716  56.945
  122    HB3  LYS  13           HB3      LYS  13 103.753 103.066  56.485
  123    HG2  LYS  13           HG2      LYS  13 104.545 103.857  54.264
  124    HG3  LYS  13           HG3      LYS  13 104.043 105.504  54.676
  125    HD2  LYS  13           HD2      LYS  13 106.436 105.311  54.964
  126    HD3  LYS  13           HD3      LYS  13 105.643 105.569  56.523
  127    HE2  LYS  13           HE2      LYS  13 105.762 103.048  56.894
  128    HE3  LYS  13           HE3      LYS  13 106.758 102.946  55.432
  129    HZ1  LYS  13           HZ1      LYS  13 107.371 104.478  57.890
  130    HZ2  LYS  13           HZ2      LYS  13 108.116 103.098  57.402
  131    HZ3  LYS  13           HZ3      LYS  13 108.321 104.481  56.529
  Start of MODEL    7
    1    H1   TYR   1           H1       TYR   1  97.793 107.850  72.549
    2    H2   TYR   1           H2       TYR   1  98.927 106.896  71.840
    3    H3   TYR   1           H3       TYR   1  97.640 106.211  72.596
    4    HA   TYR   1           HA       TYR   1  97.375 106.092  70.233
    5    HB2  TYR   1           HB2      TYR   1  95.174 107.364  70.083
    6    HB3  TYR   1           HB3      TYR   1  95.314 106.037  71.214
    7    HD1  TYR   1           HD2      TYR   1  95.349 106.403  73.661
    8    HD2  TYR   1           HD1      TYR   1  94.885 109.682  70.880
    9    HE1  TYR   1           HE2      TYR   1  94.766 107.935  75.535
   10    HE2  TYR   1           HE1      TYR   1  94.334 111.191  72.751
   11    HH   TYR   1           HH       TYR   1  94.308 111.450  75.006
   12    H    GLY   2           H        GLY   2  98.924 106.908  68.895
   13    HA2  GLY   2           HA2      GLY   2  99.532 108.179  67.102
   14    HA3  GLY   2           HA3      GLY   2  98.030 109.078  67.351
   15    H    GLY   3           H        GLY   3  99.695 109.655  70.148
   16    HA2  GLY   3           HA2      GLY   3 100.135 112.415  69.286
   17    HA3  GLY   3           HA3      GLY   3 100.205 111.772  70.942
   18    H    PHE   4           H        PHE   4 102.207 109.932  70.886
   19    HA   PHE   4           HA       PHE   4 104.673 111.461  70.343
   20    HB2  PHE   4           HB2      PHE   4 104.419 110.085  72.382
   21    HB3  PHE   4           HB3      PHE   4 104.213 108.649  71.398
   22    HD1  PHE   4           HD1      PHE   4 106.630 111.418  72.145
   23    HD2  PHE   4           HD2      PHE   4 106.114 107.404  70.660
   24    HE1  PHE   4           HE1      PHE   4 109.091 111.126  72.068
   25    HE2  PHE   4           HE2      PHE   4 108.576 107.121  70.584
   26    HZ   PHE   4           HZ       PHE   4 110.070 108.979  71.288
   27    H    LEU   5           H        LEU   5 102.777 108.886  68.877
   28    HA   LEU   5           HA       LEU   5 104.733 107.985  66.994
   29    HB2  LEU   5           HB2      LEU   5 101.707 107.863  66.807
   30    HB3  LEU   5           HB3      LEU   5 102.849 106.861  65.907
   31    HG   LEU   5           HG       LEU   5 102.495 106.801  68.925
   32   HD11  LEU   5          HD11      LEU   5 100.529 105.940  67.709
   33   HD12  LEU   5          HD12      LEU   5 101.572 104.818  66.814
   34   HD13  LEU   5          HD13      LEU   5 101.385 104.652  68.569
   35   HD21  LEU   5          HD21      LEU   5 104.109 104.964  67.124
   36   HD22  LEU   5          HD22      LEU   5 104.784 106.142  68.274
   37   HD23  LEU   5          HD23      LEU   5 103.854 104.765  68.867
   38    H    ARG   6           H        ARG   6 103.590 111.056  67.062
   39    HA   ARG   6           HA       ARG   6 103.377 111.670  64.240
   40    HB2  ARG   6           HB2      ARG   6 104.085 113.428  66.624
   41    HB3  ARG   6           HB3      ARG   6 103.740 114.022  65.000
   42    HG2  ARG   6           HG2      ARG   6 101.760 112.487  66.703
   43    HG3  ARG   6           HG3      ARG   6 101.835 114.238  66.582
   44    HD2  ARG   6           HD2      ARG   6 101.203 114.276  64.323
   45    HD3  ARG   6           HD3      ARG   6 101.451 112.538  64.101
   46    HE   ARG   6           HE       ARG   6  99.552 112.665  66.089
   47   HH11  ARG   6          HH12      ARG   6  99.670 113.913  62.765
   48   HH12  ARG   6          HH11      ARG   6  97.936 114.008  62.647
   49   HH21  ARG   6          HH21      ARG   6  97.317 112.695  65.802
   50   HH22  ARG   6          HH22      ARG   6  96.640 113.301  64.306
   51    H    ARG   7           H        ARG   7 105.564 109.945  64.766
   52    HA   ARG   7           HA       ARG   7 107.921 111.505  63.887
   53    HB2  ARG   7           HB2      ARG   7 109.155 109.375  64.148
   54    HB3  ARG   7           HB3      ARG   7 108.458 110.030  65.612
   55    HG2  ARG   7           HG2      ARG   7 108.215 107.725  65.758
   56    HG3  ARG   7           HG3      ARG   7 106.599 108.330  65.485
   57    HD2  ARG   7           HD2      ARG   7 108.171 107.473  63.063
   58    HD3  ARG   7           HD3      ARG   7 107.753 106.218  64.208
   59    HE   ARG   7           HE       ARG   7 105.917 107.638  62.436
   60   HH11  ARG   7          HH22      ARG   7 106.084 105.384  65.203
   61   HH12  ARG   7          HH21      ARG   7 104.457 104.851  64.886
   62   HH21  ARG   7          HH12      ARG   7 103.887 106.870  62.167
   63   HH22  ARG   7          HH11      ARG   7 103.258 105.647  63.248
   64    H    ILE   8           H        ILE   8 105.299 109.901  62.573
   65    HA   ILE   8           HA       ILE   8 105.523 110.781  60.071
   66    HB   ILE   8           HB       ILE   8 105.746 108.625  58.698
   67   HG12  ILE   8          HG12      ILE   8 107.737 107.820  60.825
   68   HG13  ILE   8          HG13      ILE   8 106.161 107.065  60.568
   69   HG21  ILE   8          HG21      ILE   8 108.424 109.790  59.346
   70   HG22  ILE   8          HG22      ILE   8 107.719 109.301  57.814
   71   HG23  ILE   8          HG23      ILE   8 107.146 110.768  58.601
   72   HD11  ILE   8          HD11      ILE   8 107.907 105.746  59.525
   73   HD12  ILE   8          HD12      ILE   8 106.826 106.408  58.286
   74   HD13  ILE   8          HD13      ILE   8 108.432 107.128  58.552
   75    H    ARG   9           H        ARG   9 103.459 110.913  59.532
   76    HA   ARG   9           HA       ARG   9 101.214 110.500  59.533
   77    HB2  ARG   9           HB2      ARG   9 100.838 108.792  57.653
   78    HB3  ARG   9           HB3      ARG   9 101.846 110.192  57.396
   79    HG2  ARG   9           HG2      ARG   9 102.801 108.275  56.298
   80    HG3  ARG   9           HG3      ARG   9 103.863 108.945  57.498
   81    HD2  ARG   9           HD2      ARG   9 104.213 106.862  58.171
   82    HD3  ARG   9           HD3      ARG   9 102.664 106.916  58.971
   83    HE   ARG   9           HE       ARG   9 103.392 105.636  56.404
   84   HH11  ARG   9          HH21      ARG   9 100.748 106.146  58.725
   85   HH12  ARG   9          HH22      ARG   9  99.775 104.887  57.997
   86   HH21  ARG   9          HH11      ARG   9 102.206 104.010  55.665
   87   HH22  ARG   9          HH12      ARG   9 100.707 103.527  56.442
   88    HA   PRO  10           HA       PRO  10 100.924 106.799  62.444
   89    HB2  PRO  10           HB2      PRO  10  99.889 107.968  64.696
   90    HB3  PRO  10           HB3      PRO  10 101.632 107.895  64.310
   91    HG2  PRO  10           HG2      PRO  10  99.723 110.200  63.775
   92    HG3  PRO  10           HG3      PRO  10 101.310 110.253  64.593
   93    HD2  PRO  10           HD2      PRO  10 101.075 110.849  61.956
   94    HD3  PRO  10           HD3      PRO  10 102.471 109.909  62.559
   95    H    LYS  11           H        LYS  11  99.298 105.708  61.544
   96    HA   LYS  11           HA       LYS  11  97.237 105.044  60.831
   97    HB2  LYS  11           HB2      LYS  11  96.073 106.730  63.070
   98    HB3  LYS  11           HB3      LYS  11  95.363 105.312  62.307
   99    HG2  LYS  11           HG2      LYS  11  97.718 105.431  64.213
  100    HG3  LYS  11           HG3      LYS  11  96.134 104.698  64.473
  101    HD2  LYS  11           HD2      LYS  11  96.679 103.037  62.638
  102    HD3  LYS  11           HD3      LYS  11  98.320 103.689  62.596
  103    HE2  LYS  11           HE2      LYS  11  96.952 102.424  65.012
  104    HE3  LYS  11           HE3      LYS  11  98.160 101.654  63.973
  105    HZ1  LYS  11           HZ1      LYS  11  98.572 103.924  65.808
  106    HZ2  LYS  11           HZ2      LYS  11  99.298 102.448  65.829
  107    HZ3  LYS  11           HZ3      LYS  11  99.682 103.510  64.655
  108    H    LEU  12           H        LEU  12  98.333 107.261  59.510
  109    HA   LEU  12           HA       LEU  12  95.908 108.726  58.529
  110    HB2  LEU  12           HB2      LEU  12  98.720 109.721  59.107
  111    HB3  LEU  12           HB3      LEU  12  97.596 110.628  58.114
  112    HG   LEU  12           HG       LEU  12  96.916 109.809  60.954
  113   HD11  LEU  12          HD11      LEU  12  98.058 112.450  59.968
  114   HD12  LEU  12          HD12      LEU  12  97.483 112.086  61.608
  115   HD13  LEU  12          HD13      LEU  12  98.911 111.254  60.971
  116   HD21  LEU  12          HD21      LEU  12  95.246 111.631  60.770
  117   HD22  LEU  12          HD22      LEU  12  95.692 111.860  59.071
  118   HD23  LEU  12          HD23      LEU  12  94.945 110.339  59.610
  119    H    LYS  13           H        LYS  13  96.896 106.252  57.498
  120    HA   LYS  13           HA       LYS  13  96.730 107.110  54.698
  121    HB2  LYS  13           HB2      LYS  13  99.202 106.634  55.235
  122    HB3  LYS  13           HB3      LYS  13  98.715 104.948  55.467
  123    HG2  LYS  13           HG2      LYS  13  97.712 105.065  53.082
  124    HG3  LYS  13           HG3      LYS  13  98.461 106.659  52.952
  125    HD2  LYS  13           HD2      LYS  13  99.932 105.106  51.897
  126    HD3  LYS  13           HD3      LYS  13 100.680 105.563  53.437
  127    HE2  LYS  13           HE2      LYS  13  99.707 103.468  54.457
  128    HE3  LYS  13           HE3      LYS  13  99.066 103.026  52.869
  129    HZ1  LYS  13           HZ1      LYS  13 101.946 103.426  53.477
  130    HZ2  LYS  13           HZ2      LYS  13 101.207 101.962  53.347
  131    HZ3  LYS  13           HZ3      LYS  13 101.322 102.928  52.039
  Start of MODEL    8
    1    H1   TYR   1           H1       TYR   1  95.700 109.235  71.806
    2    H2   TYR   1           H2       TYR   1  96.331 109.411  73.329
    3    H3   TYR   1           H3       TYR   1  96.911 108.259  72.306
    4    HA   TYR   1           HA       TYR   1  97.768 109.826  70.811
    5    HB2  TYR   1           HB2      TYR   1  97.825 112.256  71.507
    6    HB3  TYR   1           HB3      TYR   1  96.311 111.645  70.889
    7    HD1  TYR   1           HD2      TYR   1  94.357 111.209  72.415
    8    HD2  TYR   1           HD1      TYR   1  97.995 113.103  73.783
    9    HE1  TYR   1           HE2      TYR   1  93.199 111.972  74.479
   10    HE2  TYR   1           HE1      TYR   1  96.815 113.891  75.815
   11    HH   TYR   1           HH       TYR   1  94.854 113.921  76.991
   12    H    GLY   2           H        GLY   2  99.787 109.260  71.036
   13    HA2  GLY   2           HA2      GLY   2 101.173 109.462  73.679
   14    HA3  GLY   2           HA3      GLY   2 101.716 108.552  72.262
   15    H    GLY   3           H        GLY   3 100.980 111.231  70.694
   16    HA2  GLY   3           HA2      GLY   3 101.901 113.314  70.238
   17    HA3  GLY   3           HA3      GLY   3 102.911 113.186  71.704
   18    H    PHE   4           H        PHE   4 104.697 111.438  71.492
   19    HA   PHE   4           HA       PHE   4 106.365 112.081  69.214
   20    HB2  PHE   4           HB2      PHE   4 107.115 111.596  71.586
   21    HB3  PHE   4           HB3      PHE   4 106.765 109.897  71.290
   22    HD1  PHE   4           HD1      PHE   4 108.642 112.789  69.741
   23    HD2  PHE   4           HD2      PHE   4 108.586 108.554  70.568
   24    HE1  PHE   4           HE1      PHE   4 110.897 112.560  68.735
   25    HE2  PHE   4           HE2      PHE   4 110.840 108.336  69.564
   26    HZ   PHE   4           HZ       PHE   4 111.999 110.333  68.640
   27    H    LEU   5           H        LEU   5 103.765 110.031  69.349
   28    HA   LEU   5           HA       LEU   5 104.685 107.969  67.486
   29    HB2  LEU   5           HB2      LEU   5 101.835 108.727  68.181
   30    HB3  LEU   5           HB3      LEU   5 102.423 107.205  67.522
   31    HG   LEU   5           HG       LEU   5 102.904 108.289  70.332
   32   HD11  LEU   5          HD11      LEU   5 101.396 105.820  69.432
   33   HD12  LEU   5          HD12      LEU   5 101.529 106.462  71.080
   34   HD13  LEU   5          HD13      LEU   5 100.635 107.376  69.855
   35   HD21  LEU   5          HD21      LEU   5 104.905 107.050  69.719
   36   HD22  LEU   5          HD22      LEU   5 103.946 106.073  70.830
   37   HD23  LEU   5          HD23      LEU   5 103.930 105.703  69.092
   38    H    ARG   6           H        ARG   6 103.792 111.284  67.155
   39    HA   ARG   6           HA       ARG   6 102.930 111.188  64.397
   40    HB2  ARG   6           HB2      ARG   6 104.082 113.460  66.073
   41    HB3  ARG   6           HB3      ARG   6 103.404 113.649  64.465
   42    HG2  ARG   6           HG2      ARG   6 101.887 112.914  66.977
   43    HG3  ARG   6           HG3      ARG   6 101.767 114.362  65.987
   44    HD2  ARG   6           HD2      ARG   6  99.929 113.269  65.198
   45    HD3  ARG   6           HD3      ARG   6 101.116 112.615  64.069
   46    HE   ARG   6           HE       ARG   6 100.354 111.236  66.630
   47   HH11  ARG   6          HH11      ARG   6 100.731 110.836  63.090
   48   HH12  ARG   6          HH12      ARG   6  99.639 109.477  63.123
   49   HH21  ARG   6          HH21      ARG   6  99.450 109.330  66.593
   50   HH22  ARG   6          HH22      ARG   6  99.163 108.449  65.108
   51    H    ARG   7           H        ARG   7 105.298 109.651  64.874
   52    HA   ARG   7           HA       ARG   7 107.677 110.963  63.841
   53    HB2  ARG   7           HB2      ARG   7 108.649 108.660  64.144
   54    HB3  ARG   7           HB3      ARG   7 107.925 109.340  65.597
   55    HG2  ARG   7           HG2      ARG   7 105.999 107.962  65.456
   56    HG3  ARG   7           HG3      ARG   7 106.319 107.494  63.783
   57    HD2  ARG   7           HD2      ARG   7 108.284 106.189  64.533
   58    HD3  ARG   7           HD3      ARG   7 107.995 106.712  66.189
   59    HE   ARG   7           HE       ARG   7 106.257 105.209  66.395
   60   HH11  ARG   7          HH12      ARG   7 107.247 105.166  62.983
   61   HH12  ARG   7          HH11      ARG   7 106.065 103.932  62.607
   62   HH21  ARG   7          HH22      ARG   7 104.573 103.870  65.719
   63   HH22  ARG   7          HH21      ARG   7 104.680 103.170  64.117
   64    H    ILE   8           H        ILE   8 105.783 111.269  61.899
   65    HA   ILE   8           HA       ILE   8 105.112 110.898  59.777
   66    HB   ILE   8           HB       ILE   8 106.830 110.550  58.069
   67   HG12  ILE   8          HG12      ILE   8 108.886 110.570  60.319
   68   HG13  ILE   8          HG13      ILE   8 108.459 109.137  59.380
   69   HG21  ILE   8          HG21      ILE   8 107.469 112.662  60.174
   70   HG22  ILE   8          HG22      ILE   8 107.779 112.768  58.428
   71   HG23  ILE   8          HG23      ILE   8 106.121 112.746  59.018
   72   HD11  ILE   8          HD11      ILE   8 110.477 110.057  58.477
   73   HD12  ILE   8          HD12      ILE   8 109.179 110.308  57.295
   74   HD13  ILE   8          HD13      ILE   8 109.756 111.662  58.299
   75    H    ARG   9           H        ARG   9 103.655 109.406  60.283
   76    HA   ARG   9           HA       ARG   9 102.311 107.885  59.387
   77    HB2  ARG   9           HB2      ARG   9 104.572 106.731  57.734
   78    HB3  ARG   9           HB3      ARG   9 102.849 106.478  57.543
   79    HG2  ARG   9           HG2      ARG   9 104.434 108.992  56.980
   80    HG3  ARG   9           HG3      ARG   9 103.531 107.996  55.847
   81    HD2  ARG   9           HD2      ARG   9 102.368 109.750  58.037
   82    HD3  ARG   9           HD3      ARG   9 102.391 110.129  56.313
   83    HE   ARG   9           HE       ARG   9 101.060 107.727  56.370
   84   HH11  ARG   9          HH11      ARG   9 100.528 110.720  58.206
   85   HH12  ARG   9          HH12      ARG   9  98.857 110.338  58.524
   86   HH21  ARG   9          HH22      ARG   9  98.830 107.454  56.556
   87   HH22  ARG   9          HH21      ARG   9  97.944 108.467  57.665
   88    HA   PRO  10           HA       PRO  10 103.891 104.872  62.521
   89    HB2  PRO  10           HB2      PRO  10 101.965 105.153  64.444
   90    HB3  PRO  10           HB3      PRO  10 103.318 106.301  64.245
   91    HG2  PRO  10           HG2      PRO  10 100.517 106.539  63.074
   92    HG3  PRO  10           HG3      PRO  10 101.401 107.737  64.076
   93    HD2  PRO  10           HD2      PRO  10 101.396 107.885  61.376
   94    HD3  PRO  10           HD3      PRO  10 102.888 108.235  62.306
   95    H    LYS  11           H        LYS  11 101.415 104.785  60.291
   96    HA   LYS  11           HA       LYS  11 101.277 101.895  60.733
   97    HB2  LYS  11           HB2      LYS  11  99.250 102.721  61.772
   98    HB3  LYS  11           HB3      LYS  11  98.789 103.592  60.316
   99    HG2  LYS  11           HG2      LYS  11  97.596 101.384  60.853
  100    HG3  LYS  11           HG3      LYS  11  98.163 101.589  59.209
  101    HD2  LYS  11           HD2      LYS  11 100.171 100.185  59.755
  102    HD3  LYS  11           HD3      LYS  11  99.526  99.957  61.400
  103    HE2  LYS  11           HE2      LYS  11  97.519  98.897  60.420
  104    HE3  LYS  11           HE3      LYS  11  98.125  99.219  58.795
  105    HZ1  LYS  11           HZ1      LYS  11  99.962  97.763  59.187
  106    HZ2  LYS  11           HZ2      LYS  11  99.538  97.504  60.756
  107    HZ3  LYS  11           HZ3      LYS  11  98.597  96.933  59.555
  108    H    LEU  12           H        LEU  12 102.921 103.385  59.003
  109    HA   LEU  12           HA       LEU  12 102.070 103.290  56.259
  110    HB2  LEU  12           HB2      LEU  12 104.028 104.513  57.163
  111    HB3  LEU  12           HB3      LEU  12 104.820 102.992  57.533
  112    HG   LEU  12           HG       LEU  12 105.022 102.468  55.146
  113   HD11  LEU  12          HD11      LEU  12 104.445 104.204  53.431
  114   HD12  LEU  12          HD12      LEU  12 103.013 103.524  54.207
  115   HD13  LEU  12          HD13      LEU  12 103.598 105.135  54.687
  116   HD21  LEU  12          HD21      LEU  12 106.632 104.225  54.565
  117   HD22  LEU  12          HD22      LEU  12 105.925 105.314  55.779
  118   HD23  LEU  12          HD23      LEU  12 106.760 103.834  56.289
  119    H    LYS  13           H        LYS  13 103.068 100.728  58.449
  120    HA   LYS  13           HA       LYS  13 102.793  98.698  56.250
  121    HB2  LYS  13           HB2      LYS  13 104.591  98.685  58.707
  122    HB3  LYS  13           HB3      LYS  13 104.377  97.311  57.628
  123    HG2  LYS  13           HG2      LYS  13 105.566 100.016  56.876
  124    HG3  LYS  13           HG3      LYS  13 106.469  98.543  57.202
  125    HD2  LYS  13           HD2      LYS  13 104.513  98.929  54.904
  126    HD3  LYS  13           HD3      LYS  13 106.268  99.045  54.797
  127    HE2  LYS  13           HE2      LYS  13 106.469  96.679  55.531
  128    HE3  LYS  13           HE3      LYS  13 104.701  96.553  55.581
  129    HZ1  LYS  13           HZ1      LYS  13 105.607  95.726  53.482
  130    HZ2  LYS  13           HZ2      LYS  13 104.659  97.037  53.200
  131    HZ3  LYS  13           HZ3      LYS  13 106.288  97.190  53.157
  Start of MODEL    9
    1    H1   TYR   1           H1       TYR   1  96.645 108.241  70.235
    2    H2   TYR   1           H2       TYR   1  95.253 108.975  69.765
    3    H3   TYR   1           H3       TYR   1  95.663 108.942  71.357
    4    HA   TYR   1           HA       TYR   1  97.162 110.330  69.256
    5    HB2  TYR   1           HB2      TYR   1  94.768 111.091  69.992
    6    HB3  TYR   1           HB3      TYR   1  95.553 111.721  71.410
    7    HD1  TYR   1           HD2      TYR   1  97.759 113.301  70.757
    8    HD2  TYR   1           HD1      TYR   1  94.318 112.496  68.259
    9    HE1  TYR   1           HE2      TYR   1  98.115 115.427  69.548
   10    HE2  TYR   1           HE1      TYR   1  94.698 114.632  67.063
   11    HH   TYR   1           HH       TYR   1  95.941 116.562  66.972
   12    H    GLY   2           H        GLY   2  98.803 108.760  70.451
   13    HA2  GLY   2           HA2      GLY   2  99.470 109.211  73.190
   14    HA3  GLY   2           HA3      GLY   2 100.464 108.357  71.984
   15    H    GLY   3           H        GLY   3 100.597 110.891  70.314
   16    HA2  GLY   3           HA2      GLY   3 101.267 113.126  70.491
   17    HA3  GLY   3           HA3      GLY   3 101.991 112.840  72.080
   18    H    PHE   4           H        PHE   4 103.207 110.345  70.309
   19    HA   PHE   4           HA       PHE   4 105.347 111.926  68.966
   20    HB2  PHE   4           HB2      PHE   4 106.109 111.500  71.258
   21    HB3  PHE   4           HB3      PHE   4 105.824 109.770  71.048
   22    HD1  PHE   4           HD1      PHE   4 107.601 112.594  69.292
   23    HD2  PHE   4           HD2      PHE   4 107.674 108.439  70.445
   24    HE1  PHE   4           HE1      PHE   4 109.717 112.285  68.039
   25    HE2  PHE   4           HE2      PHE   4 109.801 108.145  69.213
   26    HZ   PHE   4           HZ       PHE   4 110.811 110.054  67.994
   27    H    LEU   5           H        LEU   5 103.262 109.167  68.768
   28    HA   LEU   5           HA       LEU   5 104.672 107.833  66.615
   29    HB2  LEU   5           HB2      LEU   5 101.718 108.188  67.209
   30    HB3  LEU   5           HB3      LEU   5 102.341 107.156  65.922
   31    HG   LEU   5           HG       LEU   5 102.913 106.784  68.893
   32   HD11  LEU   5          HD11      LEU   5 101.042 105.272  67.021
   33   HD12  LEU   5          HD12      LEU   5 101.382 104.861  68.717
   34   HD13  LEU   5          HD13      LEU   5 100.553 106.374  68.327
   35   HD21  LEU   5          HD21      LEU   5 103.761 104.548  68.197
   36   HD22  LEU   5          HD22      LEU   5 103.576 105.015  66.494
   37   HD23  LEU   5          HD23      LEU   5 104.745 105.854  67.540
   38    H    ARG   6           H        ARG   6 103.471 110.998  66.807
   39    HA   ARG   6           HA       ARG   6 103.226 111.907  64.162
   40    HB2  ARG   6           HB2      ARG   6 104.702 113.098  66.556
   41    HB3  ARG   6           HB3      ARG   6 104.283 113.993  65.096
   42    HG2  ARG   6           HG2      ARG   6 102.325 112.790  67.089
   43    HG3  ARG   6           HG3      ARG   6 102.736 114.485  66.887
   44    HD2  ARG   6           HD2      ARG   6 100.827 114.455  65.640
   45    HD3  ARG   6           HD3      ARG   6 101.986 114.083  64.368
   46    HE   ARG   6           HE       ARG   6 100.700 111.837  65.849
   47   HH11  ARG   6          HH11      ARG   6 100.814 113.546  62.754
   48   HH12  ARG   6          HH12      ARG   6  99.314 112.839  62.219
   49   HH21  ARG   6          HH22      ARG   6  99.195 110.545  64.823
   50   HH22  ARG   6          HH21      ARG   6  98.540 111.029  63.283
   51    H    ARG   7           H        ARG   7 106.084 110.418  65.518
   52    HA   ARG   7           HA       ARG   7 108.050 111.482  63.784
   53    HB2  ARG   7           HB2      ARG   7 108.485 110.043  65.735
   54    HB3  ARG   7           HB3      ARG   7 107.759 108.675  64.889
   55    HG2  ARG   7           HG2      ARG   7 110.230 108.623  64.910
   56    HG3  ARG   7           HG3      ARG   7 109.548 108.586  63.298
   57    HD2  ARG   7           HD2      ARG   7 111.477 110.020  63.247
   58    HD3  ARG   7           HD3      ARG   7 110.057 111.019  63.025
   59    HE   ARG   7           HE       ARG   7 110.585 112.172  64.928
   60   HH11  ARG   7          HH11      ARG   7 112.387 109.112  65.078
   61   HH12  ARG   7          HH12      ARG   7 113.342 109.672  66.436
   62   HH21  ARG   7          HH22      ARG   7 112.047 112.839  66.564
   63   HH22  ARG   7          HH21      ARG   7 113.121 111.638  67.258
   64    H    ILE   8           H        ILE   8 105.282 109.531  62.946
   65    HA   ILE   8           HA       ILE   8 106.135 110.227  60.183
   66    HB   ILE   8           HB       ILE   8 104.469 108.631  59.277
   67   HG12  ILE   8          HG12      ILE   8 104.565 107.330  62.039
   68   HG13  ILE   8          HG13      ILE   8 103.170 108.121  61.306
   69   HG21  ILE   8          HG21      ILE   8 106.945 108.321  59.246
   70   HG22  ILE   8          HG22      ILE   8 106.822 107.351  60.730
   71   HG23  ILE   8          HG23      ILE   8 106.063 106.798  59.221
   72   HD11  ILE   8          HD11      ILE   8 104.482 105.558  60.351
   73   HD12  ILE   8          HD12      ILE   8 102.884 105.759  61.083
   74   HD13  ILE   8          HD13      ILE   8 103.200 106.423  59.468
   75    H    ARG   9           H        ARG   9 105.174 111.889  59.513
   76    HA   ARG   9           HA       ARG   9 103.711 113.435  58.925
   77    HB2  ARG   9           HB2      ARG   9 101.409 112.028  60.260
   78    HB3  ARG   9           HB3      ARG   9 101.401 113.164  58.929
   79    HG2  ARG   9           HG2      ARG   9 102.216 110.259  58.915
   80    HG3  ARG   9           HG3      ARG   9 100.955 111.053  57.989
   81    HD2  ARG   9           HD2      ARG   9 103.960 111.295  57.558
   82    HD3  ARG   9           HD3      ARG   9 102.813 110.401  56.560
   83    HE   ARG   9           HE       ARG   9 101.805 112.955  56.494
   84   HH11  ARG   9          HH21      ARG   9 104.952 111.555  55.581
   85   HH12  ARG   9          HH22      ARG   9 105.137 112.713  54.281
   86   HH21  ARG   9          HH12      ARG   9 102.302 114.528  55.043
   87   HH22  ARG   9          HH11      ARG   9 103.593 114.278  53.895
   88    HA   PRO  10           HA       PRO  10 104.158 115.316  63.111
   89    HB2  PRO  10           HB2      PRO  10 105.801 117.408  62.485
   90    HB3  PRO  10           HB3      PRO  10 106.373 115.723  62.579
   91    HG2  PRO  10           HG2      PRO  10 105.496 117.230  60.090
   92    HG3  PRO  10           HG3      PRO  10 107.045 116.361  60.369
   93    HD2  PRO  10           HD2      PRO  10 104.962 115.154  59.119
   94    HD3  PRO  10           HD3      PRO  10 105.998 114.249  60.243
   95    H    LYS  11           H        LYS  11 101.821 115.705  61.294
   96    HA   LYS  11           HA       LYS  11 100.048 117.033  60.943
   97    HB2  LYS  11           HB2      LYS  11 101.024 118.364  63.497
   98    HB3  LYS  11           HB3      LYS  11  99.474 118.700  62.728
   99    HG2  LYS  11           HG2      LYS  11  98.908 116.258  62.853
  100    HG3  LYS  11           HG3      LYS  11 100.366 115.999  63.818
  101    HD2  LYS  11           HD2      LYS  11  98.148 117.959  64.552
  102    HD3  LYS  11           HD3      LYS  11  98.190 116.294  65.113
  103    HE2  LYS  11           HE2      LYS  11 100.314 116.642  66.263
  104    HE3  LYS  11           HE3      LYS  11 100.430 118.288  65.629
  105    HZ1  LYS  11           HZ1      LYS  11  98.247 117.375  67.412
  106    HZ2  LYS  11           HZ2      LYS  11  99.564 118.192  67.925
  107    HZ3  LYS  11           HZ3      LYS  11  98.499 118.897  66.881
  108    H    LEU  12           H        LEU  12 102.822 118.025  59.991
  109    HA   LEU  12           HA       LEU  12 101.964 120.512  58.696
  110    HB2  LEU  12           HB2      LEU  12 102.724 121.101  61.047
  111    HB3  LEU  12           HB3      LEU  12 104.313 120.478  60.646
  112    HG   LEU  12           HG       LEU  12 104.554 122.273  58.913
  113   HD11  LEU  12          HD11      LEU  12 102.904 124.147  58.888
  114   HD12  LEU  12          HD12      LEU  12 102.219 122.647  58.262
  115   HD13  LEU  12          HD13      LEU  12 101.816 123.185  59.911
  116   HD21  LEU  12          HD21      LEU  12 105.328 122.633  61.232
  117   HD22  LEU  12          HD22      LEU  12 104.764 124.141  60.494
  118   HD23  LEU  12          HD23      LEU  12 103.734 123.291  61.667
  119    H    LYS  13           H        LYS  13 102.300 118.216  57.533
  120    HA   LYS  13           HA       LYS  13 104.384 118.516  55.566
  121    HB2  LYS  13           HB2      LYS  13 105.595 117.418  57.544
  122    HB3  LYS  13           HB3      LYS  13 104.522 116.029  57.300
  123    HG2  LYS  13           HG2      LYS  13 105.375 115.746  55.007
  124    HG3  LYS  13           HG3      LYS  13 106.428 117.149  55.202
  125    HD2  LYS  13           HD2      LYS  13 106.580 114.548  56.786
  126    HD3  LYS  13           HD3      LYS  13 107.646 115.037  55.463
  127    HE2  LYS  13           HE2      LYS  13 108.305 117.064  56.836
  128    HE3  LYS  13           HE3      LYS  13 107.374 116.384  58.179
  129    HZ1  LYS  13           HZ1      LYS  13 109.824 115.273  56.954
  130    HZ2  LYS  13           HZ2      LYS  13 109.566 115.688  58.520
  131    HZ3  LYS  13           HZ3      LYS  13 108.863 114.349  57.898
  Start of MODEL   10
    1    H1   TYR   1           H1       TYR   1 101.039 110.390  73.990
    2    H2   TYR   1           H2       TYR   1 100.434 109.802  75.389
    3    H3   TYR   1           H3       TYR   1  99.725 111.101  74.655
    4    HA   TYR   1           HA       TYR   1  99.868 108.383  73.554
    5    HB2  TYR   1           HB2      TYR   1  97.358 108.414  73.876
    6    HB3  TYR   1           HB3      TYR   1  98.338 108.246  75.320
    7    HD1  TYR   1           HD2      TYR   1  98.549 110.076  76.990
    8    HD2  TYR   1           HD1      TYR   1  95.926 110.383  73.575
    9    HE1  TYR   1           HE2      TYR   1  97.500 112.090  77.969
   10    HE2  TYR   1           HE1      TYR   1  94.899 112.422  74.545
   11    HH   TYR   1           HH       TYR   1  94.911 113.900  76.249
   12    H    GLY   2           H        GLY   2 100.376 108.717  71.453
   13    HA2  GLY   2           HA2      GLY   2  99.952 109.271  69.243
   14    HA3  GLY   2           HA3      GLY   2  98.454 110.065  69.753
   15    H    GLY   3           H        GLY   3 101.409 111.204  71.219
   16    HA2  GLY   3           HA2      GLY   3 101.205 113.785  69.724
   17    HA3  GLY   3           HA3      GLY   3 101.976 113.513  71.306
   18    H    PHE   4           H        PHE   4 103.917 112.043  71.304
   19    HA   PHE   4           HA       PHE   4 105.858 112.836  69.276
   20    HB2  PHE   4           HB2      PHE   4 106.462 112.462  71.642
   21    HB3  PHE   4           HB3      PHE   4 105.963 110.777  71.522
   22    HD1  PHE   4           HD1      PHE   4 108.394 113.281  70.141
   23    HD2  PHE   4           HD2      PHE   4 107.488 109.109  70.743
   24    HE1  PHE   4           HE1      PHE   4 110.660 112.669  69.339
   25    HE2  PHE   4           HE2      PHE   4 109.756 108.506  69.940
   26    HZ   PHE   4           HZ       PHE   4 111.345 110.283  69.233
   27    H    LEU   5           H        LEU   5 103.709 110.075  69.738
   28    HA   LEU   5           HA       LEU   5 104.869 108.299  67.840
   29    HB2  LEU   5           HB2      LEU   5 101.956 108.652  68.611
   30    HB3  LEU   5           HB3      LEU   5 102.619 107.268  67.750
   31    HG   LEU   5           HG       LEU   5 103.281 108.071  70.609
   32   HD11  LEU   5          HD11      LEU   5 101.761 105.678  69.496
   33   HD12  LEU   5          HD12      LEU   5 102.081 106.022  71.210
   34   HD13  LEU   5          HD13      LEU   5 101.027 107.094  70.275
   35   HD21  LEU   5          HD21      LEU   5 104.302 105.711  68.973
   36   HD22  LEU   5          HD22      LEU   5 105.277 107.045  69.634
   37   HD23  LEU   5          HD23      LEU   5 104.498 105.900  70.728
   38    H    ARG   6           H        ARG   6 103.531 111.364  67.105
   39    HA   ARG   6           HA       ARG   6 103.020 110.761  64.281
   40    HB2  ARG   6           HB2      ARG   6 103.556 113.396  65.709
   41    HB3  ARG   6           HB3      ARG   6 103.237 113.211  63.979
   42    HG2  ARG   6           HG2      ARG   6 101.036 112.084  64.595
   43    HG3  ARG   6           HG3      ARG   6 101.325 112.617  66.266
   44    HD2  ARG   6           HD2      ARG   6 101.490 114.979  65.455
   45    HD3  ARG   6           HD3      ARG   6 101.239 114.423  63.805
   46    HE   ARG   6           HE       ARG   6  98.993 113.995  64.207
   47   HH11  ARG   6          HH11      ARG   6 100.473 115.225  67.202
   48   HH12  ARG   6          HH12      ARG   6  98.911 115.382  67.977
   49   HH21  ARG   6          HH21      ARG   6  97.064 114.222  65.294
   50   HH22  ARG   6          HH22      ARG   6  97.049 114.836  66.929
   51    H    ARG   7           H        ARG   7 104.889 109.374  64.106
   52    HA   ARG   7           HA       ARG   7 107.595 110.540  64.177
   53    HB2  ARG   7           HB2      ARG   7 106.570 107.732  63.610
   54    HB3  ARG   7           HB3      ARG   7 108.272 108.184  63.742
   55    HG2  ARG   7           HG2      ARG   7 107.879 108.955  66.086
   56    HG3  ARG   7           HG3      ARG   7 106.213 108.391  65.972
   57    HD2  ARG   7           HD2      ARG   7 108.722 106.693  65.877
   58    HD3  ARG   7           HD3      ARG   7 107.522 106.760  67.151
   59    HE   ARG   7           HE       ARG   7 105.944 105.582  65.800
   60   HH11  ARG   7          HH12      ARG   7 109.135 105.699  64.184
   61   HH12  ARG   7          HH11      ARG   7 108.709 104.275  63.238
   62   HH21  ARG   7          HH22      ARG   7 105.593 103.825  64.490
   63   HH22  ARG   7          HH21      ARG   7 106.823 103.351  63.321
   64    H    ILE   8           H        ILE   8 105.230 110.570  61.826
   65    HA   ILE   8           HA       ILE   8 105.162 110.889  59.589
   66    HB   ILE   8           HB       ILE   8 108.173 111.134  59.399
   67   HG12  ILE   8          HG12      ILE   8 107.656 112.604  61.253
   68   HG13  ILE   8          HG13      ILE   8 108.005 113.546  59.826
   69   HG21  ILE   8          HG21      ILE   8 106.998 111.187  57.254
   70   HG22  ILE   8          HG22      ILE   8 105.852 112.390  57.859
   71   HG23  ILE   8          HG23      ILE   8 107.565 112.806  57.633
   72   HD11  ILE   8          HD11      ILE   8 106.150 114.506  61.110
   73   HD12  ILE   8          HD12      ILE   8 105.588 114.011  59.506
   74   HD13  ILE   8          HD13      ILE   8 105.208 113.020  60.934
   75    H    ARG   9           H        ARG   9 105.152 108.386  60.737
   76    HA   ARG   9           HA       ARG   9 106.165 106.546  58.608
   77    HB2  ARG   9           HB2      ARG   9 106.357 106.388  61.602
   78    HB3  ARG   9           HB3      ARG   9 105.966 104.905  60.764
   79    HG2  ARG   9           HG2      ARG   9 108.445 105.328  61.247
   80    HG3  ARG   9           HG3      ARG   9 108.005 104.802  59.620
   81    HD2  ARG   9           HD2      ARG   9 108.112 107.050  58.808
   82    HD3  ARG   9           HD3      ARG   9 108.504 107.693  60.420
   83    HE   ARG   9           HE       ARG   9 110.569 105.972  59.869
   84   HH11  ARG   9          HH11      ARG   9 109.018 108.614  58.038
   85   HH12  ARG   9          HH12      ARG   9 110.445 108.874  57.065
   86   HH21  ARG   9          HH21      ARG   9 112.439 106.563  58.690
   87   HH22  ARG   9          HH22      ARG   9 112.379 107.975  57.648
   88    HA   PRO  10           HA       PRO  10 101.596 106.441  58.752
   89    HB2  PRO  10           HB2      PRO  10 101.021 106.777  56.132
   90    HB3  PRO  10           HB3      PRO  10 101.667 108.116  57.117
   91    HG2  PRO  10           HG2      PRO  10 103.240 106.234  55.320
   92    HG3  PRO  10           HG3      PRO  10 103.247 108.028  55.307
   93    HD2  PRO  10           HD2      PRO  10 105.112 106.571  56.678
   94    HD3  PRO  10           HD3      PRO  10 104.496 108.135  57.288
   95    H    LYS  11           H        LYS  11 103.202 104.122  59.088
   96    HA   LYS  11           HA       LYS  11 103.268 101.894  58.881
   97    HB2  LYS  11           HB2      LYS  11 100.389 102.281  57.956
   98    HB3  LYS  11           HB3      LYS  11 101.129 100.723  58.282
   99    HG2  LYS  11           HG2      LYS  11 100.005 101.194  60.242
  100    HG3  LYS  11           HG3      LYS  11 101.696 101.526  60.611
  101    HD2  LYS  11           HD2      LYS  11 101.271 103.957  60.439
  102    HD3  LYS  11           HD3      LYS  11  99.582 103.632  59.987
  103    HE2  LYS  11           HE2      LYS  11  99.263 102.487  62.186
  104    HE3  LYS  11           HE3      LYS  11 100.957 102.804  62.587
  105    HZ1  LYS  11           HZ1      LYS  11 100.461 105.192  62.414
  106    HZ2  LYS  11           HZ2      LYS  11  98.894 104.859  62.108
  107    HZ3  LYS  11           HZ3      LYS  11  99.545 104.473  63.578
  108    H    LEU  12           H        LEU  12 103.980 103.577  56.515
  109    HA   LEU  12           HA       LEU  12 104.411 101.387  54.513
  110    HB2  LEU  12           HB2      LEU  12 103.695 104.306  53.994
  111    HB3  LEU  12           HB3      LEU  12 104.176 103.168  52.745
  112    HG   LEU  12           HG       LEU  12 101.678 102.849  54.464
  113   HD11  LEU  12          HD11      LEU  12 101.993 103.834  51.599
  114   HD12  LEU  12          HD12      LEU  12 100.456 103.544  52.444
  115   HD13  LEU  12          HD13      LEU  12 101.541 104.825  53.004
  116   HD21  LEU  12          HD21      LEU  12 101.035 101.166  52.757
  117   HD22  LEU  12          HD22      LEU  12 102.620 101.352  51.974
  118   HD23  LEU  12          HD23      LEU  12 102.500 100.679  53.615
  119    H    LYS  13           H        LYS  13 105.976 102.982  56.743
  120    HA   LYS  13           HA       LYS  13 108.512 103.360  55.202
  121    HB2  LYS  13           HB2      LYS  13 107.203 105.030  57.378
  122    HB3  LYS  13           HB3      LYS  13 108.942 105.022  57.232
  123    HG2  LYS  13           HG2      LYS  13 106.964 105.892  55.082
  124    HG3  LYS  13           HG3      LYS  13 107.950 106.945  56.095
  125    HD2  LYS  13           HD2      LYS  13 108.894 105.088  53.882
  126    HD3  LYS  13           HD3      LYS  13 108.991 106.848  53.944
  127    HE2  LYS  13           HE2      LYS  13 110.592 106.732  55.817
  128    HE3  LYS  13           HE3      LYS  13 110.474 104.965  55.832
  129    HZ1  LYS  13           HZ1      LYS  13 112.414 105.684  54.619
  130    HZ2  LYS  13           HZ2      LYS  13 111.356 104.957  53.572
  131    HZ3  LYS  13           HZ3      LYS  13 111.506 106.574  53.572